Group1_1 Group1_1 Group1_2 Group1_2 Group1_3 Group1_3 Group1_4 Group1_4 Group1_5 Group1_5 Group1_6 Group1_6 Group1_7 Group1_7 Group1_8 Group1_8 Group1_9 Group1_9 Group1_10 Group1_10 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 Group2_26 Group2_26 Group2_27 Group2_27 Group2_28 Group2_28 Group2_29 Group2_29 Group2_30 Group2_30 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 Group3_31 Group3_31 Group3_32 Group3_32 Group3_33 Group3_33 Group3_34 Group3_34 Group3_34 Group3_35 Group3_35 Group3_36 Group3_36 Group3_36 Group3_37 Group3_37 Group3_38 Group3_38 Group3_39 Group3_39 Group3_40 Group3_40 Compound 04jun12_15-r001(raw) 04jun12_15-r002(raw) 04jun12_16-r001(raw) 04jun12_16-r002(raw) 04jun12_17-r001(raw) 04jun12_17-r002(raw) 04jun12_18-r001(raw) 04jun12_18-r002(raw) 04jun12_19-r001(raw) 04jun12_19-r002(raw) 04jun12_31-r001(raw) 04jun12_31-r002(raw) 04jun12_32-r001(raw) 04jun12_32-r002(raw) 04jun12_33-r001(raw) 04jun12_33-r002(raw) 04jun12_34-r001(raw) 04jun12_34-r002(raw) 04jun12_35-r001(raw) 04jun12_35-r002(raw) 04jun12_47-r001(raw) 04jun12_47-r002(raw) 04jun12_48-r001(raw) 04jun12_48-r002(raw) 04jun12_49-r001(raw) 04jun12_49-r002(raw) 04jun12_50-r001(raw) 04jun12_50-r002(raw) 04jun12_51-r001(raw) 04jun12_51-r002(raw) 04jun12_20-r001(raw) 04jun12_20-r002(raw) 04jun12_21-r001(raw) 04jun12_21-r002(raw) 04jun12_22-r001(raw) 04jun12_22-r002(raw) 04jun12_23-r001(raw) 04jun12_23-r002(raw) 04jun12_24-r001(raw) 04jun12_24-r002(raw) 04jun12_36-r001(raw) 04jun12_36-r002(raw) 04jun12_37-r001(raw) 04jun12_37-r002(raw) 04jun12_38-r001(raw) 04jun12_38-r002(raw) 04jun12_39-r001(raw) 04jun12_39-r002(raw) 04jun12_40-r001(raw) 04jun12_40-r002(raw) 04jun12_52-r001(raw) 04jun12_52-r002(raw) 04jun12_53-r001(raw) 04jun12_53-r002(raw) 04jun12_54-r001(raw) 04jun12_54-r002(raw) 04jun12_55-r001(raw) 04jun12_55-r002(raw) 04jun12_56-r001(raw) 04jun12_56-r002(raw) 04jun12_25-r001(raw) 04jun12_25-r002(raw) 04jun12_26-r001(raw) 04jun12_26-r002(raw) 04jun12_27-r001(raw) 04jun12_27-r002(raw) 04jun12_28-r001(raw) 04jun12_28-r002(raw) 04jun12_29-r001(raw) 04jun12_29-r002(raw) 04jun12_41-r001(raw) 04jun12_41-r002(raw) 04jun12_42-r001(raw) 04jun12_42-r002(raw) 04jun12_43-r001(raw) 04jun12_43-r002(raw) 04jun12_44-r001(raw) 04jun12_44-r002(raw) 04jun12_44-r003(raw) 04jun12_45-r001(raw) 04jun12_45-r002(raw) 04jun12_57-r001(raw) 06jun12_57-r001(raw) 06jun12_57-r002(raw) 06jun12_58-r001(raw) 06jun12_58-r002(raw) 06jun12_59-r001(raw) 06jun12_59-r002(raw) 06jun12_60-r001(raw) 06jun12_60-r002(raw) 06jun12_61-r001(raw) 06jun12_61-r002(raw) HMP ID KEGG ID LMP ID Mass 55.0031@1.9762499 5093 2925 3979 9382 2914 4683 3555 55.0031 55.0041@2.108 55.0041 55.0046@4.0016665 4117 2796 4415 55.0046 55.0048@13.153 1922 55.0048 55.0049@13.194 3229 55.0049 C3 H7 N 6142 6510 7020 7416 11911 10392 20669 20059 9185 9151 10578 11552 12008 11896 7926 8095 3867 3822 6373 6735 3242 3384 5419 5539 8612 9276 5875 5817 3039 3275 7391 6520 3327 3905 4762 4337 18267 18519 11624 10924 4128 4329 3663 3540 7644 7439 4137 4066 8610 8060 10038 9954 7994 7457 6081 5573 9706 9556 21300 22194 3278 3539 4382 5002 8229 9141 12711 12200 3828 4087 11635 11475 7093 6326 2421 11574 12742 9765 9593 10000 4470 4554 18951 19248 6614 5630 8896 8599 57.0577 C3 H7 N + 6.6015005 3140 2737 3104 3208 2808 2910 5114 4886 3570 3360 3192 3424 3917 3812 4521 4348 5416 4903 7193 6800 3018 2912 3851 4182 4978 4761 3518 3794 2938 3185 3539 3956 4057 3619 4047 2968 2915 3382 3633 3949 4138 4070 3717 6513 6298 3239 3288 4284 4557 2609 2498 3480 3742 3419 3477 4656 3600 3527 3841 3486 3389 3128 3206 2858 3382 4530 3919 5272 4445 3053 3549 4356 4257 4821 4852 4760 2944 3080 2480 2441 5089 5365 57.0577 C3 H7 N + 5.7467685 2493 2292 2317 2652 2594 2537 2221 2795 2767 2669 2845 2403 2363 2349 2095 2641 2849 2578 2316 2650 2267 2664 2916 2226 2377 2392 2350 3925 3781 2029 2905 3435 3303 2393 2412 3538 3239 3106 3085 2718 3176 3357 3415 57.0577 58.0431@1.2421999 6122 5620 2323 3130 2044 58.0431 58.0529@5.923 1980 58.0529 58.053@4.3389997 3277 2093 23867 25742 22105 2865 8177 21563 11708 58.053 58.053@4.6874285 6628 10359 10349 9945 7622 10312 7964 58.053 58.053@4.7988334 10421 3003 7915 2079 2618 7894 58.053 58.053@5.5249996 9336 5687 6224 6797 14676 11533 12021 11202 46086 11463 19799 6443 8326 3047 5333 5570 3807 2992 8180 5648 8507 9500 12457 6925 10767 6271 8141 8998 5883 3717 5299 33110 5115 6894 2881 9946 6581 3768 19019 5368 7836 5486 5335 35350 34434 11053 12659 7399 3688 7605 4751 4976 18577 4356 11146 8436 17039 12840 12832 11167 58.053 58.053@3.9785 3552 2706 58.053 58.053@5.355 4978 58.053 58.0531@4.5287 25907 11959 22586 31456 3953 28988 31447 15471 4605 48527 58.0531 58.0531@5.18095 42041 41346 27527 29572 44026 39401 2021 50004 42488 60853 64761 7118 6546 62971 14319 15802 34468 34401 39974 35327 48208 5571 53068 48368 61100 41342 5205 22075 24904 3812 35662 1884 31055 31636 25813 14707 35666 37380 17915 54912 49282 45785 31379 48105 8245 33343 16598 48904 34887 37886 21063 22198 33516 39218 35172 34796 14015 49935 40157 18603 39413 58.0531 58.0531@5.7316833 2562 5176 13036 8894 6799 3281 3243 2315 5954 10151 6255 2236 6868 4622 3546 4524 8154 4946 4603 58.0531 58.0531@5.2490997 38368 20980 32062 4435 57445 49147 1638 6600 12083 29098 58.0531 58.0531@0.925 9852 58.0531 58.0531@1.264 16996 58.0531 58.0603@6.597 3325 58.0603 58.0627@6.3282824 7750 6688 11271 11230 18135 18348 6772 8736 8985 14655 10439 11450 7402 6351 7533 3811 4633 15134 14585 10578 9338 5270 8477 6913 8466 6730 7872 7792 8990 19767 17703 9392 10503 9801 10559 5594 12545 11208 7882 8411 7893 16297 16836 5913 9551 7160 58.0627 59.0368@1.3220555 3789 1765 1768 4174 2411 3433 5239 2555 1572 3416 3382 4605 2049 2304 1630 2297 4638 2007 59.0368 59.0369@0.6879166 5991 3994 2054 1599 7289 1670 2148 2909 2616 9219 3303 3032 2294 4455 2886 5091 2379 2490 3033 4208 2884 2259 4576 3275 59.0369 Acetamide + 1.3928151 3121 4265 6376 5091 1890 5173 4376 7850 3715 5682 6793 5781 2691 4907 2439 3544 1953 5200 2289 8006 4252 2596 2461 4227 2735 7620 2912 3290 2638 4177 5219 4337 8435 2885 2739 6492 1954 3762 2876 3767 6247 3631 1436 2113 2839 2207 4047 4476 4239 6914 6481 6744 5618 2192 4155 3782 2082 3023 3835 7974 4985 3286 3884 3043 59.0369 59.0369@3.391 1824 59.0369 59.0369@1.862 3607 5104 5988 3844 7744 4693 2042 3987 2869 2623 8520 3647 1600 59.0369 59.0369@0.91499996 4373 3715 4067 2540 3928 2561 59.0369 Acetamide 1892 4593 3207 3093 5613 4776 2943 2713 2315 1541 9235 1897 3200 3415 2443 2569 4146 5649 3112 7143 2686 1866 6859 2701 6821 4715 2036 2376 1857 2998 3372 7080 3570 9235 3861 3739 6156 4754 2546 8685 9332 59.037 59.037@2.7768335 2588 4950 4763 1516 3619 3007 3128 7434 2408 1735 2879 2252 3226 2243 1611 1785 1955 2948 2298 2518 5238 4218 2879 1667 59.037 59.037@1.2345833 3349 2535 3560 5245 3970 3017 2995 1910 1853 4127 3728 1873 59.037 59.037@0.709 4977 2418 59.037 59.0371@2.1923635 2350 3590 2328 3170 2228 2269 5827 3558 3222 4697 4800 59.0371 59.0371@1.746 1741 59.0371 59.0371@2.814 2605 59.0371 Acetamide + 2.071302 1304 3740 4029 6394 3872 2554 3283 6029 5233 5430 2043 2909 2847 2554 2690 3979 7639 2934 4795 6050 2585 1471 2432 3996 2792 2262 4786 4376 4316 4027 2039 1858 1896 5309 3765 2500 5485 6134 2745 2467 6905 4997 2290 3560 2196 1801 4022 5779 4478 4406 6194 4973 5887 59.0372 59.0372@1.6611668 3217 2125 3798 2994 3870 1479 1566 4024 4953 5198 2537 2797 2021 1878 3801 1643 2310 3791 3082 4139 1800 3769 3196 1451 59.0372 59.0372@2.8203998 2127 2402 1433 2099 3860 59.0372 59.0486@5.024417 8901 8809 3215 3519 16368 15475 15433 15551 6124 5236 5893 5827 59.0486 59.0508@4.8662724 3696 7024 5540 5027 3121 4061 3315 3923 7464 4416 3110 3658 3579 5362 6402 2516 3336 6778 2886 3500 4154 4621 4720 4701 4642 3814 4204 2983 4433 3691 5663 3175 3966 59.0508 59.0531@4.87 1734 59.0531 59.0727@5.427 3008 2620 59.0727 59.0731@7.501333 3169 3893 3552 59.0731 Trimethylamine 8453 10370 7434 7693 6050 6177 7899 8463 9909 8657 5101 5194 7432 8196 8216 8960 6086 6176 8987 9064 9074 8684 8922 9496 6448 7288 8050 8057 7265 7479 8712 9573 6144 5479 7467 2576 7488 6662 9404 9645 7745 7287 6372 6816 10387 9574 8754 8771 6932 6235 9898 10572 8566 8160 7764 7770 8631 8020 13165 13639 5369 5503 5859 5890 7586 7704 8254 8081 6401 6607 5996 6038 5824 6928 6343 6794 10025 10830 10916 8401 8182 12053 11289 11134 11292 10352 9760 9173 6308 6934 10294 11193 HMDB00906 C00565 59.0733 60.0315@1.99309 1578729 1372728 1766856 1543674 1862948 1911372 3205524 3275354 1751314 1796396 1602602 1615273 1628030 1710365 1211704 1452144 1492575 1339801 1689244 1617985 1843249 1845989 1731383 1723620 1804742 1629038 1494726 1454656 1701639 1703630 1764908 1938657 1331578 1330032 1362938 1368035 1450666 1446475 1542313 1781103 1363681 1182940 1545372 1625581 1725855 1720088 1576441 1764395 1613509 1513868 1203193 1285587 1232204 1199401 1326139 1328906 1602513 1821095 2244164 2256072 1617575 1674720 1132371 1159963 1290230 1340163 1340588 1472808 1362689 1390694 1962165 2219628 1126568 1260793 1546926 1562102 2153688 1864950 2024346 1903897 1798634 1774824 2208546 2226403 2489736 2500745 1331361 2011823 60.0315 60.0318@3.9113333 2068 3516 2322 4302 1975 2385 1506 1916 2582 1359 5904 4373 60.0318 60.032@3.618 2306 60.032 60.0321@3.1235 4302 3030 1273 2359 2242 3195 1847 5113 60.0321 Urea 238570 477384 217310 50345 174255 110972 269781 114021 94218 202824 306710 60696 10247 182307 195180 69490 47701 80560 133965 49409 67116 90177 197129 155210 124189 19314 246642 200478 2026 220098 148025 132010 231605 144993 1784942 1752851 1027371 1015354 575776 325968 HMDB00294 C00086 60.0322 60.0322@3.432 2053 2428 1738 60.0322 60.0323@12.956666 4193 3017 6535 60.0323 60.0327@2.1434374 3449 17259 20879 47188 11783 2867 13305 21565 11194 18857 7370 14353 26725 16345 19969 69059 60.0327 60.0328@5.94 1373 60.0328 61.0526@5.662 1868 61.0526 62.0353@1.9941188 6348 2288 6301 5653 6744 6613 10582 11053 6692 6701 5601 5436 5578 5396 5311 4974 4574 3121 5152 5858 5522 6046 5964 5801 5819 6105 4509 4568 5375 5928 6962 6492 4533 4279 4726 4514 3876 4749 6212 5724 4574 2593 5246 5634 6366 6207 6181 6509 5369 5583 4393 3943 4327 4659 5595 5556 7479 7219 5851 6509 3966 5575 5848 4993 5292 4524 3016 6893 7518 5183 5344 7369 7164 7154 6879 6120 5566 6832 7648 8431 7927 8301 8214 62.0353 62.0357@2.019 2365 1974 62.0357 63.0074@2.01 4478 63.0074 63.0079@5.4612393 5298 5831 5769 5443 4866 6033 5226 5350 6192 5492 6492 6998 6717 6830 7254 7217 6750 7233 6756 6653 6990 7483 7440 7373 6574 6447 7291 7281 7395 7154 5235 5319 5417 5635 5892 6571 6865 5653 5826 6131 6515 6623 6736 6904 7476 7667 7338 7137 8121 7560 7396 7108 7666 8032 7582 7800 8264 7311 6996 8244 5464 5996 5877 5874 6707 7003 6147 7088 6098 5971 7335 7057 7665 7624 6859 7280 7120 7048 7432 7059 7443 8754 8536 7411 7988 7914 8121 8498 8624 8630 8820 8231 63.0079 66.0234@1.0725 1988 2109 66.0234 66.0343@12.84325 2098 1371 2068 2266 66.0343 66.0378@12.789 2812 66.0378 66.039@2.015 8698 66.039 66.0464@1.2001667 3958 3790 2697 2637 3424 3272 66.0464 67.0167@5.040714 3681 3002 68847 69228 69420 68590 31337 67.0167 68.0262@2.6075 2959 3081 68.0262 68.0268@2.5371425 4168 4107 2878 3453 5750 11885 10877 4997 3266 2392 6006 4536 7113 4552 68.0268 68.0269@2.6409998 2350 6160 3209 4254 68.0269 68.027@2.6618087 5131 8475 9330 12481 15295 2281 2486 3971 6288 13530 7114 6730 13668 6072 3826 14158 3436 5130 6102 10268 11047 2101 10826 11164 4992 2412 2762 11244 6788 5044 7980 5819 4486 3855 6824 10621 9857 8187 3177 6736 5261 5877 10692 14679 3912 4257 2581 1890 2731 3917 11031 12779 12343 2638 2964 5024 11555 1515 5758 3863 16065 5852 11464 8872 8367 7007 6195 68.027 C4 H4 O 6852 6442 3595 4128 3425 4509 2920 6762 4712 2782 5344 8077 7358 2772 4808 7989 9783 2445 2030 2756 6026 2029 3540 3749 3704 8397 2935 5488 8111 3587 4488 7761 7000 4107 2155 68.027 C4 H4 O + 2.0367954 5317 5282 4434 3962 3168 3356 4246 5203 4539 5181 4313 3940 3490 3998 3881 3216 4258 4435 7069 5050 2774 4128 3895 5906 2634 2821 3576 3273 3625 3383 4186 3477 2939 4461 4806 4206 4486 3093 4336 4221 3305 3657 3208 68.0273 68.0615@1.0545834 3986 13982 3771 14248 8944 13864 4279 3688 4834 4361 10271 14386 13272 10026 5997 17852 3171 11789 20201 17905 12033 11805 9811 1821 68.0615 68.0622@1.038 2027 68.0622 68.0625@5.79725 1494 36499 50348 72125 65484 70549 67990 72971 68.0625 69.0327@1.487 2351 69.0327 69.0572@2.901 4237 69.0572 69.0576@6.3919997 11499 2818 16676 13308 2434 69.0576 69.0576@5.235 6543 69.0576 69.0577@5.821601 2039 2602 2087 3002 3203 2362 2126 1901 3530 2647 3433 3104 2545 2597 2831 2005 2940 2175 3830 2460 3304 2265 2696 2762 2547 4392 3180 3165 2222 2995 3401 2750 2131 4459 3678 3430 3783 3586 2645 2194 69.0577 C4 H7 N 76377 82774 58049 53863 116234 114321 104625 113798 165226 161306 98864 96155 96209 94831 109719 111455 141769 151709 53187 58917 129838 127559 68886 69369 86361 84233 143469 153372 104598 103169 84055 83224 47868 46705 85953 88850 80027 74016 116223 113437 133190 135616 60981 77479 69195 67741 100586 104999 98390 100461 98078 98391 70852 67216 60968 63767 94003 81077 83515 79754 65843 65813 90753 94546 154514 151121 62149 69633 106918 103857 146207 150717 79797 73972 95401 94458 81299 79707 111343 111476 72303 77418 82813 89840 87378 103772 94810 69227 67324 142209 136564 69.0578 70.0527@5.0429335 13952 14081 77382 79690 18818 18750 142120 147242 144842 144483 4066 4828 61591 60067 57185 70.0527 70.0781@1.073625 8905 9348 12624 14135 11802 7253 9075 9702 70.0781 71.0365@1.743 3512 71.0365 71.0371@1.2049999 3970 3958 71.0371 C3 H5 N O 12968 12730 10979 10406 7084 6664 16525 17048 9827 10102 8432 8039 10377 10339 8410 8856 8678 8447 8386 7816 8746 9253 9341 8960 8149 8261 8222 7597 7672 7347 11852 12001 7801 8129 8516 8729 8991 8803 10867 11046 8737 8603 7523 8679 9470 6435 8770 8284 8364 7960 8026 8582 7874 8024 6891 7470 8236 8920 10974 11156 8892 8591 9301 8915 7110 7843 10046 9646 8067 8873 10047 9185 7125 7353 9743 9061 10585 10121 11376 9107 8886 11141 11610 11487 10863 10929 11632 12572 10034 10251 11002 10660 71.0372 71.0372@4.062 2772 71.0372 71.0728@6.249 1957 71.0728 71.0732@5.359412 4161 4474 7337 1737 3172 3143 7290 3130 2805 3816 3156 4038 6417 1886 1015 3015 2817 71.0732 71.0732@4.769 3158 71.0732 71.0733@4.69156 7130 2820 3270 3417 1643 2242 7832 5615 7610 18328 14648 6149 2728 2865 12262 8469 3452 12720 5281 11235 8789 6602 10366 7787 4845 71.0733 C4 H9 N + 5.1967387 14541 12950 11842 8168 8417 10017 5044 7272 11762 7776 12238 3226 6729 8318 10332 11368 7597 5483 18309 9852 16942 8660 9602 21325 24073 7872 8614 4666 5705 6357 5102 9185 4972 13325 12472 10184 10443 5555 11216 7370 8490 10615 11778 7243 3061 6246 4883 6982 5454 19345 9546 7277 10693 32450 5960 5873 3787 7741 10968 23949 15063 23208 13454 9843 8269 15292 5623 13311 6684 9825 28135 5519 31786 14326 10393 10529 6335 9134 9843 11127 14627 26940 6865 28292 71.0733 71.0733@4.819286 6358 1607 2446 11608 2323 7722 2548 71.0733 71.0733@4.9165 9398 1828 71.0733 C4 H9 N 15126 12203 5187 7894 12337 13507 12421 8287 8354 9026 6961 5921 7635 18850 9503 10048 4641 12861 11963 14748 9118 9405 7462 7618 8775 4021 9040 8000 6742 4635 8872 9640 11795 10994 9839 3227 8482 8524 4672 8306 9179 11239 19845 8263 6462 2680 9041 6104 10357 12766 8622 8187 4816 5478 6425 7541 8667 10692 9979 7090 9554 10538 4592 8429 7853 8022 7274 8393 8795 8381 9299 3383 5018 7144 3701 5894 4814 17012 6659 10230 9797 21190 11721 6604 71.0734 C4 H9 N + 5.9924073 85330 88950 81199 82583 80852 80232 72741 71219 92136 90623 61158 63155 67108 66172 70761 69835 93031 96455 60466 61334 122342 119815 50390 53281 105590 107749 100538 97812 99097 101304 86356 83222 55506 55196 93637 95603 64872 65820 89486 89889 71533 72760 125411 124972 67867 68170 108748 111887 97832 93086 73831 74885 80302 84343 97195 96021 126933 123693 83460 84731 80825 78371 68458 70892 122228 125518 71896 78122 98814 97462 75385 77166 82044 81822 94766 86081 118627 113619 88135 91539 76276 68908 69743 112401 113060 84358 70725 67062 63401 83091 82379 71.0734 71.0734@6.536539 3826 3208 2751 3983 6376 6052 5885 3533 4533 5576 6321 5717 1925 10374 10639 3914 4929 3999 4336 2987 4149 3405 2773 3563 3773 6907 5682 3248 3423 4482 3521 4594 3934 4042 4597 7173 7018 6149 8604 71.0734 C4 H9 N + 8.242791 4923 7331 5172 6789 6733 5918 5073 5118 4898 5501 6408 5941 4656 4210 6024 5251 6250 7204 6276 6910 6425 5483 4995 6770 7983 6294 6731 6675 5888 5234 6149 5805 5604 5147 4947 5849 4344 4499 4723 6372 5702 6095 6675 7228 7141 5933 7665 5805 6287 7229 5889 7004 7614 5297 7516 7554 5593 6537 6047 4931 6278 6849 6893 5541 5710 6954 7121 9572 7032 6889 6486 7427 6831 6605 5541 8086 5800 5915 6510 5848 6259 71.0734 71.0734@6.2462215 5077 6758 5094 2095 2592 8751 2514 5028 1898 4042 7855 3742 7299 8240 4164 3965 12708 2305 71.0734 C4 H9 N + 5.3702617 16821 5547 5669 2469 2892 3425 4983 6524 4914 12638 17431 2880 4059 1986 6276 2758 5130 4944 5469 5630 4534 5914 7222 5143 6344 6121 4376 4122 3400 14953 7820 2348 4889 3532 5132 6524 5349 10816 8200 2704 4038 5720 4036 8595 5304 31311 5104 15796 8455 2253 5875 4415 5583 4993 3910 6067 4969 4091 9399 7200 7436 6653 4952 7418 4259 71.0734 71.0734@5.701 1968 71.0734 C4 H9 N + 5.250128 19649 2328 3236 2159 4344 4346 5450 7720 16406 7482 14633 15002 13272 14520 6225 3801 20999 21318 20928 17178 7443 7465 3468 5411 4181 6589 3151 5473 8094 25888 23730 11207 3125 6134 11393 9417 3784 9752 10696 71.0735 71.0736@4.645 3724 71.0736 Methylglyoxal + 2.6626153 10579 11756 21623 14494 15020 2597 11929 23092 29940 12566 4719 1727 16907 4262 7268 3674 4233 15402 8945 2362 14121 15178 11882 4358 3186 13056 7071 13374 17110 2294 15524 2672 12738 7231 30483 9180 15500 12665 2115 8836 10150 3362 3050 12277 4895 12964 5416 2891 20818 16479 21578 3946 C00546 72.0212 Methylglyoxal 5042 3918 6333 5192 31052 3407 47239 9791 3485 7315 4998 3220 13629 4573 3961 14914 5658 27927 11206 2256 6591 42341 30002 2952 23840 5410 8594 6384 44857 10083 19610 2480 9448 2915 43144 2299 7708 45256 16883 8235 12350 44593 4038 19242 33914 6989 10802 6084 C00546 72.0213 72.0214@2.7363749 10249 3206 7256 4230 4906 3432 4512 3688 5973 5332 4201 5057 4145 4541 13500 7970 5943 14401 5297 5593 5586 4591 12279 18698 3755 4943 14501 4155 7188 4660 20538 2785 72.0214 72.0214@2.678 19609 72.0214 Tetrahydrofuran 4271 5068 6036 5412 5937 9853 2432 3746 3797 6862 10864 3389 3242 7623 5146 4050 4276 5903 6472 7375 5138 4515 5326 3782 4015 5160 5092 3262 2600 6943 6627 5625 5253 6121 6619 4505 4339 4836 8553 4905 5523 7452 6050 4228 9324 5033 7484 4138 4558 4557 5959 16043 5627 6319 5042 8823 5055 7098 11849 4017 4322 2982 5383 9041 9125 8544 5424 5983 5866 2201 5628 4410 4372 2725 10053 13469 9661 5969 13557 12067 9597 8514 5452 5857 HMDB00246 72.0573 72.0581@1.234 2103 72.0581 73.0888@6.1045 2789 8579 73.0888 73.0888@5.94 3636 73.0888 73.0889@0.922 20815 73.0889 73.089@3.9727 14408 7072 17032 14521 21930 12672 11503 18027 16395 7841 73.089 73.089@4.185167 4294 4507 8408 7313 13454 11935 73.089 73.089@4.349 18298 9276 17089 31278 4789 33386 6216 73.089 73.089@6.6095 7408 4326 73.089 C4 H11 N 6122 10472 12342 13124 7556 6934 8741 9974 2899 4958 5269 4587 8004 10661 13690 11417 10691 7704 5371 5957 11721 8909 4538 23525 2917 6300 4342 11357 15914 3757 9859 18655 5269 18698 10427 73.089 73.089@5.129 13435 24952 28267 73.089 73.089@0.8 4464 73.089 73.089@1.27 29287 73.089 73.0891@4.578 20037 7067 7054 7333 30360 6290 7192 9443 10440 73.0891 73.0891@5.0410004 41870 50200 8614 9381 44981 14390 8337 40853 33919 14969 23913 27924 53018 34562 24669 17215 17239 6139 8242 34477 17307 73.0891 73.0891@4.8186665 16360 6621 17828 8027 22552 17078 73.0891 73.0891@5.627375 12738 6981 14049 6191 9717 6991 6159 13371 73.0891 73.0891@4.087 5801 73.0891 73.0891@4.486 14842 73.0891 73.0891@4.573 7714 15281 73.0891 74.0191@1.201 2636 1860 74.0191 74.0368@1.6515001 5482 5340 2350 10486 10518 16270 6676 15785 4954 4630 3931 3135 74.0368 74.037@2.2886665 3699 3674 3703 74.037 74.0477@1.8186044 4501 5647 4930 4730 6525 5655 19305 20915 9997 9721 5122 4658 17263 18128 3093 5810 6217 4958 4856 5554 4992 4766 5254 3453 5500 5384 5107 4732 5188 5756 5527 5857 5071 5193 5530 5141 3883 3939 3745 3884 4173 4198 5958 4955 7341 8098 4056 74.0477 2-Aminopropanol 1999 4539 4085 4016 7491 7728 5311 3729 3545 4127 6306 6400 3920 4072 6527 7095 3293 4511 4212 4011 3921 3378 3593 5437 4690 4832 6389 5764 3673 2300 5052 5305 2483 2875 3019 4739 5025 4778 3943 4650 13837 14133 3673 75.0679 75.0679@6.461 9921 75.0679 75.068@1.6455 5430 3606 75.068 75.0683@6.4299994 40467 55896 86942 36752 25212 11935 2466 6363 6020 69098 75.0683 2-Aminopropanol + 6.3286147 957402 978517 1092084 1105147 1843943 1839479 3544080 3672554 1378452 1372158 1704078 1738722 2009316 1975723 1261484 1249390 541112 537306 968566 961001 383593 388218 774220 770785 1307391 1311315 812846 794283 423419 421172 1005823 1022213 499762 479619 536889 538433 3231259 3175917 1830760 1830562 559063 581424 484659 480726 1126575 1125141 555029 557445 1271197 1267271 1614879 1621247 1189391 1189805 837216 820550 1526794 1535732 3858181 3894338 466678 469592 662053 670034 1307800 1328392 2027253 2079168 539656 527113 1856123 1893656 966230 965346 312119 315627 1872794 1963584 253862 246751 1523922 1523523 1493474 594098 592045 3406109 3396544 929731 911297 1317336 1301995 75.0687 76.0307@2.9975 4613 4235 76.0307 77.0724@6.3205 2864 2995 77.0724 dimethyl sulfoxide 3590 4250 9498 11172 9259 8586 3483 3994 23178 21963 2366 9689 9549 5499 5181 8946 8299 12667 13573 3531 4089 4046 10633 10167 3676 3923 12151 12761 5493 5844 8712 8530 5704 5604 4159 4492 2742 3301 3526 11953 11793 HMDB02151 C11143 78.0136 78.0342@3.0559995 5054 4760 3550 20329 25575 5872 6149 4262 4325 3718 8165 7366 9286 9000 9736 9526 3766 4431 7498 7705 20805 18524 5486 5887 16102 16689 5187 4777 14735 15511 7327 6558 5681 4489 3281 3981 21201 20751 9800 9413 7625 8859 8961 8245 8636 3125 9527 8997 8115 7643 78.0342 78.0352@5.614 2838 78.0352 78.0359@5.62 3313 3381 2413 1688 78.0359 78.0468@0.7882 2921 2945 2528 2982 2835 78.0468 79.0417@1.591 6917 79.0417 79.0418@0.6982857 2735 5824 3876 6852 10078 2387 15071 79.0418 Pyridine 8356 10165 9724 5488 11198 7944 15483 5370 10868 9363 10673 7900 10605 11522 4737 10563 10391 11486 12163 9653 12911 13313 11708 10203 12364 5998 6021 6388 10402 13026 8801 10490 8380 13439 7971 9967 8758 8751 12348 5901 9539 11013 7626 10694 12809 6426 5997 6565 9628 12344 9936 7441 14262 11949 11433 5852 13931 8087 11451 9938 7589 13384 9618 11762 6823 8580 11204 8267 9517 2774 7547 4531 6682 11524 14361 11069 6433 5867 7127 6560 HMDB00926 C00747 79.0419 79.0419@1.542111 5090 2565 3241 9124 4055 5034 5320 3027 1969 79.0419 79.0419@1.497 2630 79.0419 79.042@1.4262778 5241 1600 3646 4105 8319 10592 4364 10856 5388 9218 2238 5832 7144 10116 10902 5037 2723 79.042 79.042@2.24575 8551 5941 2265 1524 79.042 79.042@1.9522002 3717 33599 10160 3271 6693 79.042 79.042@0.86099994 3799 4050 79.042 79.0421@1.1563333 4815 4222 6343 7287 4665 5735 3395 3054 3304 3010 3633 1697 79.0421 79.0421@2.7917142 1767 4745 6513 1861 3515 3643 2473 79.0421 79.0421@0.991 3974 2644 2600 11168 79.0421 79.0421@1.006 2941 79.0421 79.0421@2.834 2044 79.0421 79.0423@2.133222 20449 11304 32460 27053 3029 4793 8238 1604 4349 79.0423 79.9402@2.627 7181 79.9402 80.0266@4.8789997 5213 4938 1736 80.0266 80.0267@2.617 2707 80.0267 80.0268@1.1524999 6889 5304 80.0268 80.0269@2.678474 2408 3707 4114 7829 4784 6980 6493 4972 3571 6811 5229 9809 4032 5597 3630 2742 2971 6713 6837 6563 3628 7440 8027 11683 3218 7955 7898 8113 3673 5554 7475 2683 3679 4065 2935 3073 19725 5376 80.0269 80.0271@2.7307777 2341 3970 6669 5520 4797 4431 3431 3900 4062 80.0271 C5 H4 O 10864 1772 6483 3797 4557 13863 3373 8657 3402 5373 2365 4219 8461 3793 1913 5537 6906 4055 5039 5949 2068 1981 5573 6900 10709 3186 2404 13369 13773 3092 2900 9939 3444 6682 10403 5492 4862 2950 8054 4141 3857 9733 15141 4217 80.0273 C6 H8 9049 7178 6005 5827 15468 17430 9222 9843 13220 12389 16098 9487 17346 15424 4784 4871 13528 8753 12814 7576 10336 6856 4926 5776 16057 14360 13388 13485 13376 12795 14954 15011 11487 12332 7194 12391 4902 5426 7499 2109 9052 7541 4500 2571 16991 14818 12655 10870 13049 7266 9353 6722 4910 5208 6604 6825 14436 15790 8708 12466 10842 10909 6591 13216 13569 8531 7546 11451 20054 18196 12509 8033 8170 10241 7083 10271 19336 9506 14200 13823 13190 7315 6324 5631 11044 8286 9159 9716 9485 9248 7664 7142 80.0617 80.0617@1.1926574 4669 4772 6646 5884 4122 5076 5732 4770 4878 4828 4468 4120 5632 5484 4665 4247 4165 3203 3322 5832 6321 3024 2852 5547 5205 5890 6334 3746 2623 4594 4990 5684 3593 3910 3886 3939 3620 4088 3556 3772 4809 3685 4980 4005 3682 3807 4483 4709 3967 3492 2608 3534 3253 5354 5310 5088 5540 6463 4047 3674 3943 3923 5389 5329 3311 4070 7175 6628 10038 10525 80.0617 80.0618@1.099 5606 80.0618 81.0214@2.1545002 6394 7522 2728 2886 4899 4606 81.0214 81.0574@1.7391666 5765 9335 5568 3190 20287 13148 81.0574 81.0575@1.8050001 3916 4521 81.0575 81.0578@1.493 2651 81.0578 82.0129@1.9725602 4093 3274 2757 2943 3079 2653 6579 7048 2572 2922 3966 3333 2778 3242 3091 2520 2646 2815 2677 2079 2747 3052 4039 3194 2217 2532 2417 2774 2483 3120 3180 2873 2756 3184 2263 3252 3526 3628 2704 3638 4925 3189 2338 3388 3283 3137 3787 4099 3572 82.0129 82.0139@12.106 2356 82.0139 82.014@12.893714 2489 2758 3560 4151 4528 2955 6510 82.014 82.014@12.442 7362 82.014 82.0141@13.1995 3619 2002 2068 2635 82.0141 82.0142@5.2185717 5903 7132 3429 3774 9073 4005 3086 82.0142 82.0142@12.5708 2718 1537 2853 2395 3257 82.0142 82.0143@5.9502273 4642 3854 1744 8158 6461 3246 3638 1716 6563 5582 5280 3382 4975 2239 5201 2310 2794 4582 7679 6647 5386 5132 82.0143 82.0143@6.858667 6187 5633 4655 82.0143 82.0144@5.141231 4835 4092 6902 3369 4926 4607 4443 1647 4226 5231 3395 5586 4520 4193 7462 3432 7796 4344 3469 5669 2010 2066 5611 3328 2991 7691 82.0144 82.0144@4.8335 2143 2956 82.0144 82.0144@7.498 5620 2309 82.0144 82.0145@5.8272495 5825 4697 2670 3493 82.0145 Urea + 5.482235 3600 2608 2312 5205 7577 3574 2522 3877 4309 2175 5582 2018 3506 6447 2740 6246 6846 6395 6760 2915 3584 4471 1519 9780 2981 4219 3122 5227 4258 3539 5240 3580 4599 3185 11005 9572 6212 4729 6798 4475 5769 5957 3621 6389 4666 3287 4478 4252 2896 4823 2403 HMDB00294 C00086 82.0146 82.0422@1.1259999 4173 4417 4233 4909 2612 82.0422 C4 H6 N2 9236 7810 8075 9320 9533 11409 7665 8027 5659 5711 3697 4070 4449 4517 4649 4180 4817 4316 4498 4288 3938 2496 6176 7001 3856 3776 5742 5556 5542 5044 3463 2745 3229 4096 3322 4197 3085 2933 6033 6182 4531 4438 6281 5580 4471 2979 4776 4486 5109 4791 5784 5997 3519 3529 3039 4899 5854 5675 4545 2717 3220 4292 4221 82.052 82.0527@4.2884 4083 5774 3369 3543 1399 82.0527 82.0726@4.484 4692 6771 7293 2071 2067 2002 3615 82.0726 82.0732@4.604 3355 82.0732 82.0744@1.164 4317 2580 82.0744 82.0747@3.0040002 3699 5297 82.0747 82.0767@2.9235 10377 10629 82.0767 82.0774@1.096 4337 82.0774 C6 H10 4854 6575 8180 3873 6219 6349 6556 7390 7343 7631 9863 7812 7299 6587 4492 4315 4041 16713 13622 6117 5474 7183 7546 6612 7473 4953 4445 6063 7386 4359 4756 6376 5599 6024 8969 8881 5947 6860 5741 5331 3336 4207 8443 9702 8226 4541 6572 5290 2932 6001 4757 5729 5243 4929 9745 10065 5714 4673 4549 10521 6186 11741 8513 5934 4046 4068 4251 3498 4673 4716 6436 6172 5081 1957 82.0777 82.0779@1.1815405 8483 9005 9173 10258 7247 8089 3283 5332 5644 3823 3623 82508 82394 3293 3003 2908 5132 9812 10478 3392 6864 5219 5148 6284 7888 4918 2709 3972 8176 9226 7662 8514 6540 10485 5084 8213 18048 82.0779 82.079@4.585083 4596 59314 59850 3922 3838 9021 9051 4897 4602 2143094 2150555 2119166 82.079 82.0896@2.006 13478 82.0896 83.0369@13.35 4804 1862 3736 1922 83.0369 83.037@6.824 5365 4384 3269 83.037 83.0371@1.2279999 2992 2195 83.0371 C4 H5 N O 2573 2938 3401 3762 6040 6267 1772 4857 5290 2320 2410 2789 2628 7741 7327 4775 4159 4314 3341 3458 3694 2546 2525 4866 4341 2365 2924 2996 3177 3104 5603 5691 2566 2555 1783 6090 5244 3094 2681 2925 2611 2564 2750 3113 2779 4584 4302 83.0372 83.0373@5.8155 1625 4621 4330 7982 83.0373 83.0383@2.336 4114 83.0383 83.0726@3.1473331 6946 10809 6563 83.0726 83.0727@3.216 1837 3643 83.0727 83.0729@6.7715 2153 1776 83.0729 C5 H9 N 8265 7484 21615 21543 2778 3070 2539 33011 33997 37320 37802 33827 32370 15646 17276 2840 2833 3294 25648 26411 6493 6853 2523 5240 5436 3412 3302 5986 6033 2748 3008 3256 2852 19931 20254 19846 20173 3701 3873 2280 9533 8845 11210 10725 18689 19317 12469 9914 2199 2389 10688 11753 6935 7049 16714 15180 12208 11984 9172 9452 8879 8676 8613 27239 26300 35248 36900 83.0733 C5 H9 N + 6.738448 8129 8798 21476 21139 30205 29617 34507 36677 25406 25682 31117 29941 3314 3266 33987 32067 4501 4216 3146 3390 4589 4344 2751 21664 19444 17220 16614 2568 3021 6324 5787 8826 8854 15648 13811 25754 26699 13181 13213 7369 7186 7406 7698 16869 15832 12170 12782 7194 6706 20324 19111 18860 23018 21867 5648 4957 34186 34961 83.0734 83.0735@5.884419 3262 3067 3706 3477 4744 4818 3074 3497 3893 3633 2993 3128 4171 3259 2692 3376 3369 3599 3720 2391 2475 3043 2679 4600 4737 3856 4411 3001 4577 4541 2204 5883 6364 5048 4839 6506 5315 3016 3387 3936 5154 4759 3951 3817 2944 2814 3205 2468 4302 4074 2728 2884 14474 15317 2298 2665 3281 3936 3598 3682 3457 2687 3026 3052 3411 3905 4202 3745 2740 3057 5368 5128 4796 6178 6179 4191 5073 5570 4941 83.0735 C4 H4 O2 + 6.6996512 5623 5529 3825 3332 4978 5202 5605 6510 3726 4665 2455 2567 3671 3525 3173 2583 3685 3384 3322 3245 4334 4050 2352 4165 3640 2801 2224 2763 2959 4049 3927 3342 3502 2901 2779 4466 4087 3152 3705 3104 3101 3822 3519 2383 3716 3520 2862 2696 3222 3043 4701 4598 2288 2980 3538 4966 5103 2928 2842 7117 6930 4006 3692 3576 3795 2044 4563 4703 1873 2606 3112 2657 3509 3146 4650 4871 2895 2792 3944 3986 84.021 C4 H4 O2 + 6.9198 5902 6029 5139 5066 7658 8368 7116 7348 5121 5579 4048 4761 6360 6793 3186 3199 4792 4684 3576 4119 6096 6310 3407 3384 6494 6371 12230 12210 4026 4230 5528 5308 3232 2998 6123 5756 4466 4580 5662 5162 5142 5544 5851 5415 4599 4769 3219 3494 6260 6106 5324 5260 5982 5233 5169 5194 6063 5605 6415 6165 2996 5076 4780 6929 5949 4028 4236 4400 4290 4902 5110 4351 4279 3633 3991 6413 7029 4361 3543 4358 5059 4924 4946 4560 6266 6330 3911 3396 5746 5514 84.021 C4 H4 O2 + 7.51155 6302 5398 6450 5964 7941 6873 7893 9352 7877 7529 7040 6845 6927 8068 4661 4752 7340 6702 6428 5332 7260 7876 6898 6527 8403 8202 9196 8975 8309 7654 8808 8446 7066 7090 8584 7924 6195 6424 7772 9077 7870 8431 6716 5966 5549 5394 5181 5501 8053 7580 9373 8558 7591 7908 6842 6824 6898 7733 8053 8085 4906 5129 7907 7237 9110 9251 6559 5905 6294 6748 8230 7186 6735 7754 6672 5837 9765 11150 7983 7626 5616 7077 6671 11040 11670 5918 7511 5141 4586 7572 7082 84.021 84.021@2.6828334 57150 35735 57116 37568 34194 31522 84.021 C4 H4 O2 111760 91575 254438 104683 47726 55515 105268 40522 106463 38320 58823 94780 93505 109036 139918 57343 113072 99899 41596 40316 116277 77085 94766 103131 80807 40617 152219 113416 42366 90965 80019 40565 98031 59791 100506 126339 38230 101981 106057 86850 101307 62858 89721 39383 61697 50971 90442 49054 120062 61906 118642 27091 28964 93330 57807 84.0211 C4 H4 O2 + 6.2110004 3465 3115 2858 4836 2829 3024 2347 6943 5457 3570 3431 3720 3086 3406 2561 3317 3263 4034 4299 4872 5154 3363 2840 2874 3486 3904 3821 3445 2503 4912 4696 3655 2650 3587 3764 4393 4430 4219 84.0211 C4 H4 O2 + 7.1802864 49830 49016 49295 48478 62289 62409 88079 90151 42678 43006 59676 61048 79309 77085 18876 18688 49041 50749 88675 86517 36401 36705 32589 34128 50427 49558 46530 46420 37826 36991 69145 67411 39782 39995 41924 43552 39324 39744 59043 62014 43299 47257 36920 37288 58820 58735 44040 45101 40311 39800 48342 49052 53721 55981 66474 67999 41490 37514 82358 84169 52214 49618 38793 38107 42822 43747 40747 41941 53317 51797 61144 62219 37160 36607 34122 32819 86000 87853 65837 66015 48251 40440 50174 10081 9290 64118 62101 76394 74059 33418 33219 84.0211 C4 H4 O2 + 2.5714695 106627 103517 126469 107140 97501 51890 102712 114807 82145 54793 104586 136830 53770 117901 138280 169263 182915 74056 94711 83194 72052 57264 59763 114735 180257 131510 65588 94280 74740 66045 101371 105316 104201 122178 137673 140993 165078 40049 183036 60451 3447 172901 85929 107226 122879 146542 134992 147113 115077 84.0211 84.0211@2.333 51880 7443 1498 4844 84.0211 84.0211@3.49 2518 84.0211 84.0212@3.387 4661 84.0212 84.0212@3.453 1729 84.0212 84.0213@7.1887503 2971 9516 71047 71194 84.0213 84.0214@6.4315457 2897 2815 2875 4174 3820 3363 2629 2812 2705 3161 2879 2868 2580 3078 4158 4883 4882 4122 4261 4835 4504 2483 84.0214 84.0215@1.7527499 6195 5611 6835 5674 84.0215 84.0216@6.047593 4014 4074 3699 3907 2208 7236 6096 3956 2941 4216 4204 2482 2810 1882 2858 4013 3054 3952 4798 3849 4073 3279 4224 3517 4502 3965 2229 84.0216 84.0435@5.044889 11204 11291 35406 35522 14779 15560 3096 28266 27204 84.0435 84.057@1.2011614 10965 17118 7649 6455 8758 10337 6532 11075 9108 7259 4402 8511 6247 6117 6470 6428 9493 7259 10283 10773 13739 4211 7138 9148 8264 6671 6714 5667 10190 11028 13652 84.057 84.094@1.0666153 4525 4518 4565 8264 3671 6832 4264 3840 10231 4619 8037 11978 10239 84.094 85.0246@2.757 3977 85.0246 85.0249@2.5814285 3359 4683 3551 3689 3962 2826 7596 4773 5983 10501 3667 7105 3816 8335 85.0249 85.0255@2.6626668 5877 10109 8918 4433 5394 12359 3560 5922 5267 13519 7373 2114 4561 11157 12075 5476 12806 13212 10529 6104 10869 2111 9389 2089 11719 2260 5348 85.0255 85.0522@2.0481212 33333 56512 53036 18334 17977 17538 34767 12936 18425 10979 12800 19400 23520 44748 41191 23575 25509 5998 11551 8194 59374 26054 12769 13037 12054 9163 51060 20890 29492 14043 16515 32221 29056 85.0522 85.0522@1.7362499 3202 10028 5059 4192 85.0522 2-Pyrrolidinone + 2.0697286 73917 77593 67763 32805 68293 67255 155610 103057 34099 31451 7138 41003 68801 53225 32847 13678 56158 53578 25530 20647 32184 20046 25665 38455 60463 40801 67677 66630 32414 9604 77655 32667 30512 32889 36401 37458 53475 12019 71208 69537 12747 35796 23279 22005 42357 67485 15396 22872 25202 24660 52557 54383 22262 33111 28766 20390 25421 26572 26345 40110 14399 13894 36714 34974 22779 22872 30565 32447 19307 24296 42788 43844 24363 23890 23113 23362 3009 32069 31130 32009 14050 31013 24553 15804 48144 39991 66827 48831 49143 51589 48749 HMDB02039 C11118 85.0524 85.0524@3.3604999 4449 11560 85.0524 2-Pyrrolidinone + 2.8319786 17852 19013 39471 40489 25949 22650 45938 48788 17785 18563 28406 26225 26946 25258 14989 14996 21354 21173 13615 14043 17360 17437 32979 32306 16615 15260 34502 31147 16247 16740 27686 27764 13070 11658 15388 16214 23550 24075 27347 27367 13642 13568 8643 6306 23489 24104 10443 9831 14344 15284 20800 22328 15364 14201 12354 10235 14988 15410 55494 54145 18242 18193 10898 9711 13714 13814 17344 18624 13246 12142 19070 20225 12656 11914 12273 11783 29441 53734 27507 11108 12257 17304 17324 17990 19078 19564 16909 16394 16369 16688 15292 17184 HMDB02039 C11118 85.0525 2-Pyrrolidinone + 3.2970328 88108 89506 78479 81469 106232 103271 163907 169023 90906 92509 92600 92669 92145 92517 65651 65747 68787 66721 88340 89236 51352 51622 74533 73167 151182 156313 96665 95910 55120 55493 77141 75721 93529 97665 73372 72781 154708 155833 94264 89957 142748 144675 56500 58348 78920 80838 78594 78843 52106 50733 65168 66140 61426 59180 92228 88910 63404 61609 198965 204621 81108 80717 72769 71290 47397 59341 76610 75409 85493 82056 93339 94822 71989 70996 61126 63999 78284 47678 75478 48939 49670 106150 104190 105369 62764 63020 80171 78352 104140 101084 86327 82895 HMDB02039 C11118 85.0525 2-Pyrrolidinone + 3.786596 9342 9857 3536 3624 8249 8831 5103 5869 6588 8457 5761 5714 10532 10512 5198 6441 7828 6824 2860 2892 3752 3434 8210 8372 8240 7730 10490 9380 3690 4168 8476 7568 4500 4913 4572 3395 7539 7592 8838 8920 4766 5534 4942 4926 3278 9261 9024 6056 6003 4018 4399 5983 6689 4036 4303 3275 3895 9615 8447 6621 7362 5053 5162 4823 4576 6308 6015 3658 4648 5493 4571 7867 8217 7517 5529 4831 4340 3793 7578 HMDB02039 C11118 85.0526 85.0526@4.9700003 2542 2714 85.0526 85.0526@1.24 3326 85.0526 2-Pyrrolidinone 5774 1639 6776 5676 6537 7186 5929 5696 7153 5621 4375 4316 5556 6480 5251 6307 5230 3765 5761 5690 9277 9571 9682 10340 6303 5653 4732 6866 8011 4788 7144 6550 4579 7262 8651 5467 6346 5044 6684 6957 4596 4540 6585 5252 7891 7668 6803 5508 6117 6394 6515 5810 3310 5396 7373 7474 5863 4916 5423 6347 5389 4713 4220 3512 5173 3581 5126 5593 5824 6245 7513 6988 6684 5960 10692 10837 6158 5708 4275 3449 4829 4929 HMDB02039 C11118 85.0529 85.0532@2.1363335 1546 2335 3606 85.0532 85.0533@3.793 3918 85.0533 C3 H7 N3 31856 28175 27195 28760 18795 19692 41504 40160 24763 24541 22851 22617 27284 27241 23250 24441 24443 24249 21733 21468 24848 26368 25417 28614 22460 21932 23392 23352 23690 22113 28140 29108 19358 19459 23319 22017 21494 21785 28518 29841 25616 25267 21755 22404 26288 25671 24049 25624 25129 23601 23346 23674 21136 23579 21528 21114 22808 24621 31793 32477 23771 23916 24463 24905 21458 21746 24918 25411 21909 23224 25803 25527 20924 21754 26872 24887 31300 27902 31218 22792 24407 30391 34149 33026 32974 31076 32549 32717 27065 27399 30286 32625 85.0639 85.0886@5.463059 5533 4966 3812 3819 4804 5087 4585 4058 4368 4112 3322 3766 2386 3518 4223 4692 4038 4080 4242 4908 4122 4130 5746 5545 3805 3937 2947 4178 4803 4419 5457 6618 5169 3654 85.0886 C5 H11 N + 5.5736036 3493 3645 4113 3889 2115 4261 2342 7268 7299 7713 8157 5110 5229 4449 3415 5762 9937 10252 12333 13125 12280 12291 12372 10823 11293 11487 2918 3242 4888 3502 3628 3702 3556 1380 3973 3156 4231 5341 5338 6125 5570 6069 5039 5817 6626 6069 13779 14767 12605 10504 12905 13313 12804 12056 13330 14072 5725 5425 4370 3377 4011 4062 2931 4905 6122 6294 5414 5545 6732 5261 7527 7888 9825 7616 7377 7432 8884 8144 11997 13417 13235 13882 16043 15271 14234 13250 85.0888 85.0888@2.934 23438 85.0888 85.0888@4.9165716 1878 1383 3403 1706 2586 2047 2375 85.0888 C5 H11 N + 4.995627 21626 22040 10928 9959 21516 19700 3894 8177 7544 12612 14147 13419 12725 29985 28247 11412 11299 8672 8424 18927 19329 17269 15914 19319 17846 7208 6420 22214 20377 5011 4130 13173 10948 19627 21074 12639 14381 16359 16858 5982 7951 20001 18105 22142 22344 12625 13597 13167 12251 22247 23570 26987 26924 13668 15370 14645 15525 11287 9846 9487 8799 3013 5179 30962 29080 8673 8828 14196 15008 11990 11543 11168 12666 22189 22451 8009 5334 7778 31349 31012 14938 15258 14875 21871 18729 23362 24992 15565 16913 15191 13399 85.0889 C5 H11 N 5954 9929 7853 7320 8863 9807 9968 11639 9621 10265 9692 9013 10407 7988 8248 9121 9655 9205 8324 8009 10761 5705 6582 9600 9171 10086 9050 8664 8501 9146 9921 8779 9138 7329 9366 10092 7732 9513 9359 9302 8297 10227 8888 9214 9442 8626 9701 9515 9321 9518 10544 8222 9460 8234 8144 7957 9490 9038 9433 9139 8295 9373 8886 8586 8304 8644 7993 8122 9443 10798 8150 9195 7067 8796 9603 8456 9248 10000 9237 8342 9379 6918 9126 9420 7496 8937 9527 9551 8656 7390 85.0891 C5 H11 N + 5.7220216 106522 93825 83200 79291 73007 69420 75041 76989 93849 81645 63757 59935 70953 66036 67165 63983 114516 109540 64575 63440 128128 124442 46726 49008 114935 102591 94002 91834 90108 88469 80098 78589 71800 71022 84302 86025 57582 52560 82131 91857 63398 67482 124609 112229 73461 73302 93000 89880 93562 90856 86066 83073 83119 82910 79389 79456 126079 119281 91513 88417 92558 93423 68865 63548 114312 115724 81565 79970 106598 95363 73896 71499 79725 85362 89157 89284 99857 97222 94564 78112 84615 84936 83051 86475 103544 107686 80060 76324 51524 53130 62355 63273 85.0891 C5 H11 N + 5.8029885 76626 77546 49225 55463 48621 52235 50843 52088 65399 82037 47511 51911 48087 50687 45057 49108 85630 88186 38330 42002 110386 111156 37159 78047 90564 83030 82996 62777 65471 51499 40379 38540 70344 71402 41079 42588 70797 60126 56829 55136 97995 111923 45579 47662 61645 72584 70262 64343 61492 62384 65790 66491 85146 91065 70490 73791 54624 54173 47296 52251 92629 100446 65207 72461 79435 76089 56307 60553 64365 59001 73511 75150 75557 71755 79659 74344 72835 85252 76909 57595 5665 45095 37454 52689 48775 85.0891 85.0895@5.788 51334 85.0895 Diacetyl 5164 5359 4515 5319 3931 3839 7029 7042 5125 5047 3462 3543 6004 5356 3173 3594 3357 3173 3884 2969 4631 4302 5070 4736 3825 4463 3416 3997 4390 4399 5439 5830 2809 2886 4443 4114 3490 3637 5986 6006 5332 5135 3330 3134 3528 3846 4458 3906 4295 4143 3183 4428 4433 4876 4324 3978 3910 3921 6550 5720 3376 3207 3972 4634 3724 2860 4109 5124 4094 4366 4185 3313 3110 3269 4578 4258 5920 5710 4349 4772 4691 5003 4593 5499 5613 4123 4616 3059 5968 5893 HMDB03407 C00741 86.0364 Diacetyl + 2.7385557 4730 3254 2858 13977 8899 17674 14313 9804 9526 3229 20335 23207 18893 6553 6441 12491 12148 1635 15069 13647 15401 11687 8234 17982 16993 10890 5675 16326 12190 17437 18585 21010 17704 7094 1818 3062 9804 7961 6979 10479 20965 8454 9814 22443 19847 HMDB03407 C00741 86.0365 86.0365@2.687 6091 86.0365 Diacetyl + 2.5974343 15069 12300 5629 10510 14154 13926 9991 9394 24320 24074 17129 21832 8920 20877 20908 23896 22692 30763 8970 15974 6157 13759 16194 15339 28002 15141 5305 18431 14381 10420 9744 20203 15398 9477 6954 18344 10410 8267 10076 18996 12426 15033 19919 13519 4355 17747 5637 7828 18107 11482 19540 19743 16079 HMDB03407 C00741 86.0366 86.0366@2.700357 12167 9284 1738 5494 9297 12798 10777 9910 7610 13199 8929 12810 4348 7879 86.0366 86.0367@1.5316112 2829 4312 3871 8044 7150 4071 4653 5356 4318 4881 4058 5386 5540 3434 4307 2271 7588 10025 86.0367 86.037@1.927 2453 86.037 86.0371@1.10975 3168 3227 3296 2704 86.0371 86.0437@2.0455 5986 6436 86.0437 86.055@3.295 3901 86.055 87.0143@1.0683637 4595 4149 4903 4493 3709 3413 4008 5491 5176 11912 11983 87.0143 4-Aminobutyraldehyde + 5.271877 52025 40229 44629 38021 27146 29951 24885 37297 2880 44603 71373 43814 50799 41621 47954 4849 62044 59186 68115 60375 87454 47758 2838 77770 75332 56462 59284 59691 86432 96953 93460 72818 73586 42028 50573 36199 38798 48735 45613 37643 33615 2888 52558 58465 55889 20838 61637 50049 6015 63359 82874 110694 58091 38451 53693 43007 105098 72717 70466 78873 48676 52905 71068 52574 40629 33339 50089 65012 48916 43917 50697 56206 43373 91601 54853 48024 88679 1811 89558 54047 40827 53650 88069 92674 67129 89358 85293 62189 86724 HMDB01080 C00555 87.0683 4-Aminobutyraldehyde + 5.382866 23626 16362 20406 44480 10501 36810 25410 9871 29688 31302 18101 29217 29289 25800 22693 34027 24099 29056 31852 34302 32155 27610 28928 16906 24052 24988 45736 26185 24754 16355 10124 29482 40503 35494 30070 43376 28751 38692 25455 28220 31249 16713 2687 23406 2919 27157 24987 29232 25405 15526 45553 19058 19624 31466 41303 32874 29976 30191 37725 24554 34253 40370 31196 19843 25631 30631 31775 HMDB01080 C00555 87.0683 87.0683@5.8076663 3095 14573 2927 8994 11069 3063 87.0683 87.0683@6.091 3839 87.0683 4-Aminobutyraldehyde + 5.1793814 40510 40404 25369 30631 6556 32923 15108 27141 4798 37705 34783 33441 24798 29902 35412 3551 54308 49730 52401 46510 47337 46009 39903 2525 68632 70411 41830 39521 42382 44522 60333 58184 55791 52665 37075 39402 35830 13475 36238 47460 26014 30646 23846 6709 44883 46363 36535 42626 2549 42645 20359 42629 70222 75531 28625 28972 35035 27374 60418 61710 63225 56176 40999 39584 31900 39172 25259 26944 10154 29844 37932 36664 37451 36234 35608 35141 43108 36769 43250 43415 7291 39312 37453 34927 37906 42851 37448 43316 64329 64124 39199 37844 HMDB01080 C00555 87.0684 4-Aminobutyraldehyde + 5.617605 7540 10234 25479 20679 26258 9273 39352 9022 10866 10714 9347 45377 7665 12297 10259 1941 2559 17091 6461 2731 2891 2078 2482 10726 2398 15600 3102 2647 15748 7000 28194 2145 5961 4522 17158 10985 6483 2315 3437 2135 22773 43962 12393 68148 16446 2768 9034 10516 16240 13832 14877 12679 12310 1913 5896 25270 1715 2666 14979 11367 10237 2690 15759 13408 6064 2744 12027 17252 9446 2294 2243 12700 16164 9909 2826 3219 HMDB01080 C00555 87.0684 4-Aminobutyraldehyde + 6.510029 4892 6629 5731 5560 5310 5623 4974 5746 4626 4147 3121 4679 5240 5021 4439 5425 4038 5977 5327 5699 6846 5445 5917 5283 5003 4789 5467 5043 4203 5061 4148 5217 5693 4950 5167 HMDB01080 C00555 87.0684 87.0684@6.640714 2942 4301 4779 8577 6789 7295 5631 7427 7694 5809 3832 5321 4945 6991 5921 6257 4014 3855 5169 7438 7855 87.0684 87.0684@4.291167 3425 3257 4548 3749 2950 4323 87.0684 87.0684@5.8216133 11292 9643 10785 12311 3195 13213 12145 9445 10829 12423 8953 10190 14621 9225 10150 7897 8426 11218 10155 14420 10532 11235 14602 9179 8065 12462 12893 11063 10485 15877 13834 87.0684 87.0684@5.1349998 31420 32580 47424 3584 3473 44051 46507 87.0684 87.0684@5.24475 57209 59706 1420 67379 87.0684 87.0684@7.904 1722 87.0684 4-Aminobutyraldehyde 45901 59904 63067 50926 56839 57619 32816 65852 60476 50987 57147 59646 46064 64195 51861 54989 55634 57088 41661 54203 81151 60623 51635 71621 75593 72701 76263 46324 49976 63543 54026 59030 50494 56179 58083 63985 57780 52925 59320 45142 60848 50921 59331 63817 79499 47084 76001 62571 57331 66708 74359 72856 74047 59608 67534 77450 70128 73275 60893 53916 68313 59468 60644 42138 64756 45435 69077 41687 80929 66422 74481 51428 73385 91407 13341 75505 69630 83878 51065 64737 72427 66832 60155 87069 65377 78179 HMDB01080 C00555 87.0686 87.0686@5.667 2615 87.0686 87.0687@1.223 3235 87.0687 87.069@6.842 2889 4015 87.069 87.0698@4.7875004 20702 19561 87.0698 87.103@4.6402 3218 6806 3868 14150 2900 87.103 87.1033@4.2504997 14330 15567 2581 7713 87.1033 87.1035@4.374 2443 6991 87.1035 87.1036@4.474 5225 87.1036 87.1037@4.489 3556 10557 6436 4050 87.1037 C3 H4 O S 2434 2643 3290 2737 3631 3473 3168 3265 3228 3320 5048 5538 5132 4785 6855 7041 7085 6216 5463 5840 7339 7260 6935 7493 8036 8000 8940 9075 8657 9497 4258 3868 2752 3002 3650 3146 3529 3413 3634 3051 4357 4580 5683 5965 4548 5004 5638 6216 6372 6986 9224 9233 5515 5951 6037 6522 6785 6041 7990 7435 4274 4281 4252 4563 3736 4357 9947 10068 4068 3692 5479 5675 8291 7398 7626 7211 6657 5494 6597 6167 5956 7620 10115 9215 9335 9464 12579 12735 8609 8475 7748 7916 87.9981 88.0519@0.838 3164 88.0519 Acetoin 5039 3799 5139 3602 2800 5185 5605 2697 3842 3465 4400 2708 17395 4798 3773 2234 4921 3717 5902 4775 2394 2390 1970 2632 6495 7342 2755 2706 2817 2681 5702 6556 4317 5248 3154 3074 3212 2461 3098 3848 11192 12976 4255 4235 3529 3905 5254 4528 3500 2545 2395 2464 2242 2381 2702 3699 5823 3928 2029 10074 2933 1953 2238 2357 3845 4353 4233 6773 4390 6505 2717 2525 HMDB03243 C00810 88.0522 88.0522@3.0964165 2905 110517 118757 2409 17372 1531 1617 3276 11850 1955 5046 6040 88.0522 88.0522@3.1640003 16165 2421 2792 88.0522 88.0522@0.8999999 4613 2479 3153 6899 7441 1692 88.0522 Acetoin + 1.6314733 6661 16460 14932 15071 15643 13043 13316 14769 13424 14296 15820 15131 13319 12783 14784 14345 14981 14783 19527 19460 19142 18272 17735 17012 15528 15518 14827 12862 14238 16134 15303 15474 21868 21467 16779 11059 16005 13848 26478 26259 13844 11468 17771 18620 14625 15054 16639 16516 13040 12584 25602 25224 14004 13587 16020 16831 17049 15273 24440 23438 16944 16688 21941 18879 17088 15780 15957 16440 17980 6835 17797 19225 14204 13365 14697 15072 11955 7400 11888 7301 10511 17354 12366 13401 17800 15971 16202 15990 18229 16601 15455 15325 HMDB03243 C00810 88.0523 88.0523@3.5128334 80342 82964 16472 3685 4731 15828 88.0523 88.0523@1.1625999 5838 19595 15581 13115 6841 88.0523 88.0524@0.7453333 1212 4495 4421 2714 3061 1686 7719 1842 5498 1821 1386 3214 2316 2715 4088 88.0524 88.0525@2.1352859 10678 21109 14031 3265 5613 13793 1455 88.0525 88.0525@3.7456665 25215 30287 3178 88.0525 88.0526@2.6293333 37005 33967 4965 88.0526 88.0526@2.222 3173 88.0526 88.0527@4.138 15469 1721 88.0527 88.0527@0.64 3938 88.0527 88.0529@5.984 9012 88.0529 Acetoin + 1.2081687 1488 5040 5325 8223 6597 3431 3655 4554 3003 2165 5477 6059 7807 19516 19330 11626 6588 10199 5835 6157 8805 3360 12546 7898 5717 5734 4647 4555 9149 5167 1332 7170 6542 9240 6510 7958 3648 10614 6077 8269 7007 7347 9521 5993 11759 6977 6570 7615 6966 10395 6137 1740 6608 5493 6323 5229 6991 9653 10791 8311 6567 9105 5429 3784 3987 3797 7120 8115 10963 11611 8258 8124 6308 7703 6924 4132 HMDB03243 C00810 88.0531 C4 H8 O2 6408 3392 5813 2309 3734 3824 2927 5546 4004 4333 6777 4367 12684 8590 5870 5908 7710 7335 12522 7458 7661 8660 3522 5155 5694 4067 13050 15072 5422 4727 4841 3512 5860 5069 1399 3643 2416 10352 9663 4726 4911 6767 3285 8980 19623 15823 5762 6710 1766 5270 4717 9480 2103 6312 5237 5567 2454 8055 8033 4415 4011 5167 6580 6087 1773 88.0535 88.0535@1.785 3595 3384 5127 1306 5675 9970 8262 88.0535 88.0536@5.9399996 3199 2839 88.0536 88.0541@1.8902 2242 3114 2579 1623 1656 88.0541 88.0542@1.2086667 5686 6692 4460 5743 6232 22420 88.0542 88.0542@5.839 2223 88.0542 88.0593@1.207 11744 88.0593 88.0693@5.274 3738 88.0693 C3 H7 N S 4224 4820 4031 4028 5510 5029 7888 7865 4762 4852 4818 4199 4670 4721 3339 4067 4086 4142 3603 7124 7702 4580 4507 2829 3633 3849 4967 5041 3460 7485 8301 4420 4394 7245 6928 3681 4178 4439 4432 3186 9734 9476 4030 3935 3481 4052 3713 4074 3896 4951 4254 3681 2834 3880 3987 5043 5197 4650 3411 3863 4276 5050 4493 4218 4096 89.0301 89.0474@4.808 3730 89.0474 beta-Alanine 7936 8733 7812 7637 7322 6695 6653 5678 7817 8181 7129 7813 9189 8897 9471 8865 15417 15674 8218 8885 9836 10546 9491 9687 12217 13284 15561 14674 11006 11043 12994 11277 8087 7352 8900 10097 7808 6891 14414 14342 12390 12106 9929 11222 2231 8664 8588 8037 14590 13716 17266 15865 8457 8748 8074 7713 8206 8861 7607 6941 7651 7286 10681 10787 11850 11820 9077 8359 9496 9096 15226 15519 12781 13905 11975 13075 11877 12112 8934 8714 10959 10808 12022 9168 7984 8569 10978 11678 11379 8207 C00099 89.0476 beta-Alanine + 6.93935 2346 2693 2774 13082 13280 2859 2689 2905 3257 10189 10730 4267 3822 4549 4407 4076 3994 4571 4483 3122 2943 6726 7317 7233 6284 7940 8109 6488 6587 5079 5265 5035 5380 4939 4781 2665 3518 3815 3157 5415 5108 4117 4181 3078 2942 5550 5697 13396 12846 7610 7953 4500 5668 2855 6733 6072 9352 8520 2830 2856 14177 13139 5001 5159 5305 6161 3725 3844 6743 6211 2663 2888 8008 8922 5083 3556 3847 4013 5051 4576 5664 5492 4361 4832 2944 3111 C00099 89.0476 89.0482@2.537 3028 89.0482 89.0484@2.50285 6925 2968 6429 5990 5011 3379 4897 5864 6384 5777 6439 6220 5477 5267 3827 4814 7895 8442 5812 5311 89.0484 89.0485@6.432 2526 89.0485 89.0487@1.4944999 7801 6063 89.0487 89.0832@1.6095 4706 2744 5038 5601 4712 4558 5878 4647 2890 4974 5433 3672 4018 4343 3368 1989 89.0832 89.0834@1.4000001 3196 2752 2652 1895 89.0834 2-Amino-2-methyl-1-propanol 8178 16770 11909 8703 11472 6118 10250 16452 6152 10191 3463 12187 11249 7842 12631 12231 10805 9594 4020 7006 6913 7404 13293 6263 10487 16306 12340 10621 13013 7844 10764 10884 9907 11224 6060 10388 8107 12786 4153 8500 10505 7459 15677 3288 6494 6799 8791 9604 7627 7757 12475 12406 12377 12779 7829 4664 8478 9321 8057 11158 3128 6684 10273 3866 9721 9325 9570 10579 7377 7723 11158 8457 11337 8096 12248 7419 4450 10535 7010 8605 10178 10202 5862 13494 11597 13234 14308 13754 12796 14361 13798 89.0837 89.0837@5.7456 6770 2269 2916 7990 2573 89.0837 2-Amino-2-methyl-1-propanol + 5.645574 8977 14556 10449 8903 4581 3617 10371 3844 13380 2300 6067 11422 14579 14672 2208 18834 12123 11128 4337 6807 13333 16541 7497 6685 12345 6312 14570 5131 6061 8278 11277 10562 4200 12011 2153 15114 14330 11177 1977 3883 2572 16479 13195 4866 8349 11688 12387 11555 14312 10710 3778 5131 15411 10885 12582 3426 2900 13385 17457 12424 9112 9431 3351 3696 4087 14812 12895 3864 15655 13682 14258 6986 13210 28655 7200 15054 14333 14520 13960 3807 3263 6048 89.0838 89.0838@5.87 4302 89.0838 2-Amino-2-methyl-1-propanol + 5.1998544 98285 80844 24203 23920 16664 25653 5730 13593 22414 21486 34902 27970 15436 3227 2305 27768 121647 118779 41072 32147 102380 2976 32289 27767 115747 24887 27193 112367 6755 31274 10020 32454 34617 27480 26272 18219 10808 25670 29943 33586 33630 4343 33955 8334 36820 25146 31258 28897 7458 29899 29191 145084 146583 7138 132674 45314 5065 28837 31647 31764 37099 29733 29299 30901 29801 34394 30819 119163 117478 128239 29755 27234 31865 25750 27751 30068 31862 36257 35184 134353 60637 29740 32938 89.0839 2-Amino-2-methyl-1-propanol + 5.3564744 12970 17529 45137 3489 26776 12408 19930 23874 9216 27548 32685 32901 66235 9528 19047 30146 20483 74930 56958 25328 34965 1756 3306 30400 44057 28356 85652 21479 36551 24879 26924 20722 4371 29262 25920 32735 2173 38277 35681 32375 21808 50156 53265 12095 18768 12050 39634 14531 4419 130253 34212 43337 36174 26095 19290 30000 38908 24962 50791 23070 15925 23685 1649 2133 24301 22794 27608 34492 57683 33167 32713 48285 41765 50409 28512 34457 89.0839 2-Amino-2-methyl-1-propanol + 4.6926875 29388 30197 31718 34404 30509 34554 33590 31084 19002 40773 37288 24808 35402 20235 31368 7365 14316 32324 36309 9311 33077 22362 31388 33235 5734 25945 30797 17810 22272 26745 30650 41243 36280 30178 21402 40107 26969 41471 34271 48994 44296 43061 29268 18222 36392 33962 33201 32397 35310 38374 39858 42506 39346 38223 24077 11383 36748 41824 47485 16809 41153 44349 27210 29141 89.0839 89.0839@5.0226665 7491 8213 8995 6444 2133 18167 89.0839 89.0839@5.3154 22510 22951 27051 21149 27538 17922 12174 2264 25236 20875 89.0839 89.0839@5.441143 2986 20794 39485 16750 20198 21710 31463 21525 16439 16628 25717 8856 3623 22131 4625 2128 14073 2430 51184 20422 11082 23165 1336 36950 1742 7384 32492 21656 3391 28025 12721 17555 2481 6586 12239 89.0839 89.0839@5.8141 4751 3993 8892 3705 4307 5480 3099 2964 4927 8425 7717 6658 7315 1939 5425 7065 8272 6089 6989 12816 89.0839 89.0839@6.5099616 1944 3957 3740 3385 3615 3286 3994 2321 3501 6366 4001 3975 4651 6184 2526 4465 3866 6470 5465 4860 3546 5879 2720 4355 5815 4027 3855 89.0839 89.084@4.1843333 4673 4789 4934 5060 8498 8638 89.084 89.084@6.6305 2751 4687 2066 2311 2636 2964 4040 6606 89.084 89.0841@4.68425 11463 9206 4751 20775 89.0841 89.9689@2.35 2882 89.9689 89.969@5.654834 4750 5499 2122 6095 8449 1976 8250 4605 8823 8206 2679 5032 5432 4357 3054 8868 4853 4691 3381 4626 4067 8614 9224 3354 3502 2579 7837 7905 6296 4275 4296 4352 3560 6093 8344 6956 8794 8629 3301 7507 3240 6305 8449 5896 8809 6186 5812 9921 3042 9091 9023 9213 3967 4192 3872 7788 8723 7897 4334 7925 5482 6888 4918 6057 7500 7775 4581 8499 5237 8164 6576 9253 7925 8288 9772 3766 4994 6522 89.969 89.9691@5.8013844 5428 4718 5783 6110 6085 5419 6563 5448 5905 5702 6181 6875 6008 6742 5410 5884 6219 5450 5930 4555 5248 4807 5326 5167 4997 5437 6135 5079 5481 5625 5775 5682 5425 6176 6054 5717 5429 5460 5025 5294 5536 5036 5709 5908 4791 5121 5464 5035 6200 5847 4296 4282 4220 4808 5608 6276 5758 4948 5068 5301 4959 6029 4490 5308 4826 6487 4770 6844 6368 6698 6195 4896 5582 6335 5832 4242 4931 4696 4217 5596 5558 5562 5917 5618 5303 4628 5096 5848 5585 6240 5002 89.9691 89.9692@5.4705358 408826 404715 429678 442087 453601 442466 458448 469821 452291 456139 423881 427059 443458 448242 449548 453577 448581 447099 448471 457625 435179 436136 462584 463857 471634 452802 474134 470517 485838 489111 412430 413359 422863 412592 482322 478565 477249 480534 493401 491691 450831 452624 428969 431057 152666 463226 447850 452924 480937 472817 476984 480388 442247 442606 473409 461209 460417 461374 473570 477103 462158 468495 454512 451499 507284 511753 451236 459947 429724 400714 463898 470437 489228 486077 455354 451873 462303 463966 466795 454552 462035 487299 2743 2598 89.9692 89.9693@5.682 1800 89.9693 89.9703@5.5866003 5044 17813 3096 2319 4042 1350 4405 2787 2156 3912 3726 29155 1568 3346 28196 2441 3408 4571 3309 2238 313080 3843 6634 4149 3547 4200 4499 2175 3699 3268 485279 493574 467464 467871 480307 477550 490659 484075 446442 450038 89.9703 90.0315@2.7390435 6832 7580 9854 11282 8174 13533 10686 15798 8411 12926 14464 4977 15670 10851 8391 13263 19118 6146 9137 11324 13098 15129 11298 90.0315 Lactic acid 16890 31006 37149 11128 15135 9660 17008 16991 26813 17435 5367 46574 11682 6964 38833 12700 8380 13245 36139 11121 33266 33396 8081 16672 33850 12466 14940 11720 18386 19941 10343 10726 8223 9277 17182 5504 23070 11526 6130 15520 5190 18892 11315 17486 18930 16776 8691 14564 23232 9033 17442 20600 11894 31605 32429 34327 15214 18049 4716 22760 32703 HMDB03328 C00186 90.0317 90.0317@2.5802226 10923 15164 5467 24332 12656 12844 15127 16437 13091 12639 16057 14777 6399 8737 11127 4824 17989 13816 12482 17740 14566 18427 8627 11489 13788 19840 5048 90.0317 90.0317@2.623 8028 90.0317 90.0465@1.273 6552 90.0465 90.0468@1.0998825 3412 66754 4845 4539 5875 6915 5173 4710 2681 4484 1764 4808 4703 3481 3728 4749 3684 90.0468 90.0469@1.208 63753 90.0469 90.0475@5.164 2032 90.0475 C4 H10 S 9666 10168 10968 10610 10879 10419 11234 11655 11352 10940 9635 9832 10057 10710 10447 10406 10678 10479 10545 10803 10442 10439 11070 11530 11142 11395 11735 11318 11567 11943 9840 9818 10691 10411 11987 12036 11441 11456 12062 11934 10518 10217 10178 9893 11016 11167 10487 10562 11507 11458 11366 11426 10130 10746 11202 10774 11028 11098 11102 11157 11501 11657 11009 10705 12405 12766 9993 10956 9775 10022 10340 11220 11512 11993 11133 10414 11133 11344 10943 10837 11131 11714 11810 11687 11641 11028 11806 11214 11667 11272 10330 10330 90.0494 90.0792@5.477 3276 90.0792 90.0818@5.463635 2908 3381 3109 3648 3151 3084 3058 3444 3243 3209 3297 3224 3014 3442 3509 3423 3239 3228 3384 3685 3827 3345 3412 3414 3541 3803 3026 3051 3427 3838 3284 3235 3416 3382 3285 3192 2991 3284 3240 3082 3275 3184 3530 3640 3310 3114 3592 3284 3228 3423 3362 3189 3376 3242 3056 3484 3941 3331 3155 2669 3226 3360 3204 3328 3843 3324 3804 3819 3757 3354 3004 3999 3979 3468 3633 3512 3933 3784 5120 3551 3083 3779 90.0818 90.9723@5.456 5245 90.9723 91.0419@2.3639998 4752 5239 3355 3532 4672 91.0419 91.0419@6.684667 2183 2255 3645 3186 3038 2984 91.0419 91.0422@6.021 2434 2700 91.0422 91.0424@0.78499997 2395 2262 91.0424 92.0377@2.6690001 6816 8907 12342 12230 92.0377 92.04@1.6716666 6388 6590 3009 9814 9434 8339 37721 39896 92.04 92.0625@1.121 2044 6430 2429 5006 92.0625 93.0318@11.6 1798 1723 93.0318 93.0326@3.8236923 4544 3648 3398 4293 3384 1431 1874 1935 1882 2073 2736 3184 4348 93.0326 93.0326@2.8935294 6749 2831 2283 4833 4145 3077 2393 8619 2838 3788 2202 2017 2264 4082 3311 9931 3186 93.0326 93.0327@1.432 1382 3680 93.0327 93.0327@0.71166664 3336 4020 5305 93.0327 93.0327@2.989 6627 93.0327 93.0328@1.6764209 6777 3398 3313 4717 2214 5584 1755 6357 5303 7567 7931 5808 2409 5452 4270 5743 2039 2604 2643 5281 7108 4660 4774 2020 2164 1823 3139 3228 1490 3776 3940 4320 2134 2476 1637 11153 11039 6534 93.0328 93.0328@3.05425 2362 2110 2152 2101 93.0328 C3 H8 Cl N 2258 2094 10657 11290 9737 8895 6324 2759 15782 10673 2251 6187 6457 9780 9058 9188 3720 4192 10977 16298 12439 4821 4246 5093 6773 5763 7564 3966 4970 6151 2462 6348 9031 3019 4830 6867 5180 3272 13588 8476 93.0329 93.0329@3.421 4420 93.0329 C4 H3 N3 + 1.0766999 3251 5556 7160 11950 13691 3146 4700 5823 3588 3626 3957 3232 3025 8943 2889 4173 5186 4002 3221 6708 8443 10058 3786 3630 2735 3253 3214 2838 9215 2802 2710 1465 2029 3329 4707 3767 8118 8478 4817 1749 3100 2991 3570 3648 2355 2687 10728 5006 4254 3380 2782 3379 3270 3014 2583 4155 4740 9508 4386 9390 10263 15712 7524 8355 7411 2980 8137 5494 17912 93.033 C4 H3 N3 + 0.68339616 7531 7771 3463 4128 12923 14822 8194 3442 5011 6166 15405 3564 7334 2108 8085 9224 9399 11480 3549 7039 7262 2847 4804 14781 18904 13026 4569 2731 3757 6224 7053 5349 2216 3992 4882 15302 15910 14260 4420 6200 2996 12533 6754 2205 3267 7417 2422 6685 7811 7874 8253 8119 3300 93.033 93.033@1.934125 5681 2839 4009 3543 4998 3056 4558 5626 93.033 93.0331@1.042 2204 93.0331 C4 H3 N3 5554 4983 2779 4859 1863 5358 4795 4092 4904 6689 6529 9636 3912 3939 3273 4051 1556 3389 4137 3697 3289 3865 11076 4004 4022 5080 2951 3356 5867 11066 12772 7439 3014 2638 3687 11328 3279 5987 4294 5921 4875 3881 1675 1811 6057 3990 4254 4426 3542 3700 8168 3295 5005 5826 6739 5795 5443 6989 3872 6207 4575 5954 4878 2312 5504 4339 6177 6213 4378 2968 4328 5363 3701 3472 4705 6015 13632 7070 93.0332 93.0333@0.9248666 3953 6231 2685 1636 2963 2180 9744 4010 4010 3933 4445 5991 3614 3382 2447 93.0333 93.0333@6.9545 3740 2920 93.0333 93.0334@5.233 1944 93.0334 93.0335@3.919 4761 93.0335 93.0336@2.282 1250 93.0336 93.0338@1.3770001 3560 2278 2467 2051 5358 3242 2749 93.0338 93.0339@5.2935 7601 8407 93.0339 93.0342@6.681 5334 4899 93.0342 93.0502@6.6875 2866 2552 93.0502 93.0502@6.033 1630 93.0502 93.0547@6.686923 3056 3058 2611 2409 2737 3184 3537 3497 1842 3420 3382 4904 4697 93.0547 Aniline 26177 28471 86939 87872 44968 46702 160103 163248 31700 30202 31899 31377 14078 12662 19449 18756 11172 10312 46962 43843 55278 55359 7159 7641 66539 68622 60960 61723 23583 22966 104889 101097 118801 120430 13036 13776 24074 23138 60712 60381 17429 17363 44838 44787 38018 38971 26566 26977 14174 14395 98600 99045 20251 21046 10200 9774 26004 24737 3633 3482 29180 29300 64088 59781 61227 5427 3622 78852 74470 12688 13443 37948 36947 HMDB03012 C00292 93.057 93.0572@5.7103133 4109 3206 4775 5547 4021 3236 7211 5265 6140 7012 13103 5654 3831 7179 4427 125270 93.0572 Aniline + 5.6175404 44533 45321 135995 133347 72457 73367 255418 255420 51156 50169 48630 50407 22746 20920 30800 25533 18723 17383 73047 75046 92887 88862 12726 12579 114431 115679 99533 92972 35602 37438 153507 167801 192646 197475 21140 22544 36613 38087 99913 95959 26820 27019 79599 77233 70506 67595 41096 46398 25229 23408 4374 154792 144754 30591 36078 16375 17112 44229 42977 5142 6173 45456 41180 93508 101952 100685 9316 7893 6501 130395 20585 19114 67420 66247 HMDB03012 C00292 93.0574 94.0072@3.4070833 4868 4707 7518 7673 6054 5377 5421 5380 4924 5054 5719 5710 94.0072 94.0163@3.437 11960 94.0163 94.0192@2.2005 6288 5692 94.0192 94.053@4.191 12495 12450 94.053 94.0773@1.094 7064 3528 4357 3477 94.0773 C7 H10 + 1.1901959 8970 9565 11006 10516 6989 6164 7958 7357 8761 10470 4725 4545 11058 9941 5989 5616 4571 4007 4715 5431 8877 8234 5680 5717 3610 3897 4387 5778 9036 8321 11047 12548 4951 6073 6987 5566 3543 3275 7224 7153 5644 3848 3954 3720 4765 4489 4813 6019 5712 3959 4215 6878 6666 6513 5983 6715 6812 4937 5866 6883 8166 5767 6448 4248 4928 6363 5855 4804 3533 6154 5237 6372 6279 11289 8864 10665 10204 10890 6093 5452 6087 6297 5847 8457 7291 7451 7035 12746 12853 19077 18502 94.0777 C7 H10 7986 1672 6073 6831 11103 17036 11711 9711 3231 9265 15785 14312 9889 14642 4886 4817 11077 8750 12248 13464 8806 8151 5256 4276 10413 9459 9347 7920 12120 8931 8832 9790 7189 6405 8564 9205 7629 6313 9152 9122 8474 8429 2420 5902 12751 7807 8699 7577 10643 10791 9489 6979 5663 5800 5786 3048 11646 10580 11169 11014 8877 9100 14216 8766 10329 9460 8523 8459 16063 14392 8807 12207 6026 6884 7241 8423 15263 9488 17005 9446 9566 8576 9163 7552 7325 7976 7646 7556 11797 11150 9036 9663 94.0778 4-Hydroxypyridine 46298 47717 83336 84011 177876 177567 173173 171190 3089 3391 24775 25740 60603 59517 13404 10001 5128 5404 18937 19852 116253 116871 74062 71948 4474 4590 100365 98155 116072 110393 2132 38943 39062 93844 95865 76629 79421 6733 6170 14837 14896 103659 104859 40568 42375 29263 28102 84400 83190 29426 28536 47430 39670 7938 7593 3239 97496 98050 35608 34938 5851 6136 27601 20228 3078 2535 3028 3816 4156 3438 3400 26075 27568 40555 38503 36508 92986 94675 6062 6557 61980 60256 95.0368 4-Hydroxypyridine + 1.305617 5450 5388 3914 4023 19429 17971 2890 4146 4303 2096 7944 7715 4004 4705 6047 5529 7104 6416 3670 8587 8648 2216 3368 3165 2480 3911 4114 3589 4759 3633 9518 10000 2876 3220 3362 6893 6604 2815 2916 2761 2640 3874 3563 4249 4785 5064 95.0368 4-Hydroxypyridine + 3.056915 40050 41803 80045 82471 58905 58887 364557 365290 3685 35523 35619 108874 109084 73199 73940 12944 8650 51545 50470 10025 10026 66216 65440 139458 133910 40701 40266 158523 157319 163176 162120 12227 11677 23999 24091 66347 65574 126748 131406 288006 287042 89556 93423 291166 286813 82678 83733 268162 259922 114400 116369 88585 84677 61070 63095 12660 12507 10996 10558 379419 376134 42720 45048 27260 27117 161858 158657 34392 33673 3637 130121 130965 149597 145524 143823 50418 50428 159194 159332 23252 22660 136553 134499 95.0368 95.0368@0.86266667 3364 7472 6109 95.0368 95.0369@2.9872503 3619 3073 4137 1092 95.0369 95.0369@3.173 2241 95.0369 95.037@4.2778254 7642 8178 6155 6312 2617 5319 5661 2906 2880 3120 3565 3058 3175 2234 2848 3142 4212 4626 3190 3603 2881 6463 6079 95.037 95.0708@6.603821 3231 3637 4229 3996 3018 3762 3597 5289 5153 4327 4105 4188 3917 4183 4483 4532 4844 5284 4619 5949 6204 3769 4494 4385 4479 5010 5769 4090 4035 3478 3688 4240 3183 4324 4972 4452 5021 3543 3557 4468 3990 4438 4549 4432 4532 6023 6127 4193 4664 4958 3538 4205 4172 4158 3616 3968 4160 4931 4853 4921 4069 4380 4418 3998 3780 4247 4995 5268 5030 5027 4306 4739 5134 4321 4540 4932 4954 3778 3940 3100 3245 5142 4666 95.0708 95.1192@3.0557 6756 6736 4962 4740 4853 4668 4636 3976 6825 6964 95.1192 95.1198@0.829 2736 3074 2699 95.1198 96.0209@2.7524116 9601 3648 2778 21743 7547 7555 4656 7636 4138 7435 4239 14698 7108 6462 8190 7525 8416 96.0209 C5 H4 O2 16128 19734 9642 22528 46858 19181 17689 12776 19021 18195 17412 17800 28197 18352 16318 15472 16312 7428 17273 19742 16677 35475 24515 14807 16920 17131 21858 12334 31169 14232 14675 21854 15591 19246 18767 11916 18695 14832 11514 19203 20489 25611 13046 23475 6126 12094 27208 18528 8476 14763 10639 20250 10692 38803 18598 14026 19089 24856 14397 12824 27725 26950 19239 96.021 C5 H4 O2 + 2.6389627 15760 22800 4665 10533 17486 11538 6702 5486 13852 7525 9988 10153 15169 12332 18562 5889 15251 13718 19523 27093 16624 12316 7926 7726 8980 17168 18588 18841 20208 7660 16030 15385 19335 19499 4468 18007 13834 3475 2443 24044 18855 3159 9141 20699 18034 19778 7340 6937 12035 18505 17321 12535 24269 96.021 96.021@2.323 6617 96.021 96.021@2.387 5854 96.021 96.0329@1.4354707 3621 6190 5561 5046 4244 2593 5384 5556 5870 5489 6067 6605 5643 4080 5633 6366 5925 96.0329 96.0395@1.441 14695 96.0395 96.0412@3.107 1731 96.0412 96.0563@1.2095001 4284 3558 96.0563 96.0917@1.097 2180 96.0917 C7 H12 2613 6715 6711 3384 2179 5562 5931 6242 7311 6750 7359 6016 6833 5126 4181 4065 3745 5333 5614 5880 5295 6287 6366 6599 5239 5301 5364 3674 3755 1818 4927 5446 7799 7011 4626 4993 4684 5095 4188 3471 7695 6961 5624 6039 4004 4783 4636 5385 5551 4968 9016 8972 5958 5196 3610 7440 4099 3905 11127 5751 11694 5800 5348 3463 3918 3283 3935 4421 5585 3052 3174 2605 96.0928 96.093@1.424 3442 3628 96.093 96.0933@1.188923 5477 2990 3747 8544 3767 3152 2532 2750 2419 3959 3726 4977 4842 96.0933 97.0507@6.32625 3618 4478 3520 2370 4324 3847 3727 4539 97.0507 97.0523@2.868 3547 9914 97.0523 C5 H7 N O 14112 15138 11210 11332 16027 13661 30300 28029 9482 9216 13587 13290 11315 10739 7865 7092 8412 8257 10341 11545 9526 10111 6256 6137 6422 6642 14830 14971 10071 9756 11381 11399 7911 7931 14347 15889 10366 10958 7341 7406 11834 11432 6794 6842 11166 12322 20447 20352 8775 9072 9025 9061 7446 7345 15297 14905 13374 12986 5246 3836 8458 8037 12518 12505 21503 21109 3828 7648 11499 12207 23129 5943 21605 7169 7196 15140 5426 14083 17236 17889 17639 17650 13221 12921 13321 12527 97.0525 97.0525@2.0814998 6098 3307 13502 17082 7313 7434 97.0525 97.0525@2.154 3567 97.0525 97.0527@1.6634444 2609 4234 7810 7643 5872 4822 5147 6073 6352 97.0527 97.0885@3.1845 6751 7361 97.0885 97.089@6.47285 5315 4845 2790 3148 1839 2127 2007 2867 2660 4711 4271 2416 2445 9043 9961 3215 3053 3131 3468 3426 97.089 97.9762@1.0755333 2975 2886 2515 2516 2647 1624 2347 2668 2292 2933 2809 2756 3387 2384 2596 97.9762 98.0363@2.6348748 3865 2189 5735 3820 5893 2357 4479 2307 98.0363 beta-vinyl acrylic acid 3296 3999 9040 2340 1832 4595 2787 5296 9962 8965 5530 9317 3645 2772 2895 5628 4276 6802 5189 4949 2743 5696 6547 5664 5243 3641 3082 2549 6710 4740 7008 5271 4950 9352 5431 6493 3238 3323 8807 13441 8160 3553 9863 LMFA01030099 98.0365 98.0366@2.7212124 2548 6648 4317 13064 2544 4970 8744 4785 6939 3017 4939 6760 3993 4322 7511 8114 3445 4529 6090 1752 3538 8584 4445 6058 12841 4908 9123 2825 4957 2959 2356 9202 6937 98.0366 98.0366@2.47275 2223 4341 8234 3743 98.0366 98.0375@1.252 3026 98.0375 98.0603@4.1895 2343 2661 98.0603 98.072@1.187 7774 11911 11118 6423 6386 6787 7570 4072 7740 4625 7807 8866 4826 8066 7494 6310 98.072 99.0441@4.101571 5874 6744 6549 5823 3178 3266 20427 23478 3640 3979 3232 3594 4728 4327 2818 3091 3162 3403 4509 5013 3203 2680 3512 3416 5802 5996 2806 5019 4121 5101 5346 3916 3783 2340 3726 3200 2249 9360 9463 2952 3588 2498 3389 3678 2885 5810 6184 3057 3422 7439 7182 8273 4747 4884 4502 4390 3986 8589 8591 5100 4281 4996 4811 99.0441 99.0678@3.636 3765 99.0678 99.068@1.623 2841 99.068 C5 H9 N O 238276 239950 53156 31120 159937 158837 124725 491350 118032 126719 22858 25950 202537 209219 330096 332444 108272 107099 207452 204587 3529217 3251164 70081 57860 1741170 1964252 544489 545547 992599 986784 400240 387636 561267 545611 653096 667224 100649 97447 105026 100892 92622 95296 212807 217818 6653823 6622393 383472 400050 246379 240216 129983 126916 52694 54642 134760 130733 479418 477392 388449 381059 182752 172669 39260 20117 442978 454079 126568 121051 342923 390745 115100 120180 483601 485104 141908 146298 183799 122155 189863 319436 272298 79823 75901 76288 1222628 1218912 110834 108931 184665 180885 216190 216756 99.0682 C5 H9 N O + 4.4186115 7093 7403 5681 6078 21943 22385 14235 13458 6820 6786 19364 20523 34568 33410 31717 32324 4796 5063 4946 5958 7185 7433 27168 31117 3783 70316 8600 8130 43745 46265 7325 7227 21777 21148 14041 12564 30807 28583 21927 22887 32646 31388 9525 11861 3043 3719 3649 4262 2318 2759 11014 101456 4399 3983 21665 22071 11379 11456 6320 6626 13834 17765 3343 3587 20001 19916 29126 12077 9912 9569 19367 19448 12694 12116 12546 6393 6808 6862 4920 2998 9150 9358 2391 8126 8608 99.0682 C5 H9 N O + 1.6228223 5683 3115 6936 7471 5224 4796 4741 3333 1830 2971 2927 14616 3533 4986 4673 5975 4654 3794 5507 5228 2998 3119 3866 10063 8047 2466 20140 14183 2933 1886 2731 3522 13234 134194 104052 2809 120306 3625 2054 2996 5202 4106 5585 8749 6751 99.0682 99.0682@1.8334799 23265 360146 16893 16922 80410 78557 260700 22495 211584 795527 653866 4877 79672 83064 145414 152385 21298 46682 46584 154319 117577 138774 84425 50605 48035 99.0682 99.0682@2.03475 7900 5534 15321 191762 99.0682 C5 H9 N O + 2.8527825 13624 12528 22765 22104 27089 27274 46528 34459 4500 8636 12752 13077 15396 15995 7879 8102 5608 13142 12728 13988 5301 3234 9562 9751 37958 39731 12784 11991 8403 7969 16639 14930 11609 10202 12248 14962 28803 29665 13161 13491 13870 4846 6178 11852 10057 21726 6894 4293 12433 9997 15645 16299 11319 11176 13991 13003 8943 4185 33369 31624 16409 11285 10090 10618 10735 11247 8149 15497 8185 7701 30157 33677 14056 6276 11879 10579 24938 5748 26247 8645 2450 16858 5464 5395 11972 11087 18121 22779 13619 13483 13152 4222 99.0683 99.0683@2.9813077 54390 56778 14252 5789 5762 8060 8151 24786 23758 3839 8654 5285 31887 11235 3901 6071 7358 7345 5487 9087 6522 7204 12499 11808 4848 5738 99.0683 99.0683@2.51975 4096 3915 4813 3486 99.0683 99.0684@6.267846 4028 4540 6346 6801 3353 2775 2371 4177 4216 2764 3434 6194 5951 99.0684 99.0686@1.4349333 3105 3084 4200 5295 6056 4138 4345 4156 2669 1916 3960 4538 3816 10271 5904 99.0686 99.0687@2.8726666 6080 5832 8668 99.0687 99.0693@4.4185715 69304 69977 69657 90498 2759 16282 2034 99.0693 99.0993@4.415 5406 99.0993 99.102@2.7777274 1661 2579 3876 2673 2025 1803 2426 5239 3228 4089 2206 99.102 99.1035@4.4162855 8290 3150 26521 11151 18797 15471 8556 99.1035 cyclohexylammonium + 2.7358363 3168 7224 6867 6907 5867 5332 7379 4469 1922 6721 5826 4625 8247 3824 3492 6685 7569 6118 3783 4583 4702 7007 8123 3683 7491 7395 6367 4645 6948 6246 6103 8347 6216 1591 4047 8962 8274 6012 5357 4563 3494 2939 6244 6063 4842 6530 7582 4500 3676 5901 4926 7239 4720 4170 5801 8826 8550 4780 6538 5368 6261 99.1041 99.1042@5.865 2999 99.1042 99.1043@4.681 6221 3671 12767 99.1043 99.1043@0.923 5676 99.1043 99.1045@4.40525 1956 3837 1989 20107 99.1045 99.1045@5.3719997 3133 5324 3127 3834 2504 3489 13177 4914 11247 6725 3477 4270 1757 4873 4100 4294 1289 99.1045 cyclohexylammonium 17612 37628 21576 20725 27711 24228 2566 15673 20176 23044 22638 23440 21736 31344 14257 2140 15825 19886 23561 20591 26721 39940 12528 25579 25668 40818 36257 24548 26202 6340 27244 22490 36428 37579 16027 2361 18122 15401 9726 16747 20458 2696 15154 16311 25513 24231 38091 14982 82603 81814 23238 18580 25127 21082 47977 41881 33174 29265 34507 34648 13165 14653 31730 30620 14632 14344 12732 33872 20877 20741 26266 24586 27010 23838 17748 20871 16024 27961 13916 22685 19659 15815 28070 24965 20542 18528 17987 99.1046 99.1046@4.3315454 4761 3777 5233 1631 18712 18240 7167 19591 24765 22226 8850 99.1046 99.1046@4.5986667 14780 6920 8328 13589 18231 34213 11406 15549 21139 99.1046 99.1046@4.8120003 4640 8061 26775 99.1046 cyclohexylammonium + 5.197659 12086 4281 13428 15028 25401 12856 3248 12872 20373 24655 15144 16837 3547 2932 11497 3725 14834 16878 40380 26137 7488 2162 13215 2350 4093 9390 15080 15669 11532 8442 16694 15539 11029 1850 13146 30568 1440 2754 1994 12359 15776 2477 21975 14369 22608 22391 21505 3811 6889 14806 16192 13384 2802 19174 14353 20504 8117 11639 15518 7150 4087 13047 13048 15277 3989 13513 14504 17696 14064 15074 15389 15812 5565 27129 9727 5083 32376 13548 5839 36958 9558 13836 99.1047 99.1047@4.495 2489 3134 99.1047 99.1047@5.008618 36046 26511 9583 18965 15187 29896 15571 40745 5448 27365 27335 10295 34152 32044 28388 8766 26122 26717 27036 5024 35643 18952 19747 15666 26869 31171 27309 5735 12299 3166 15467 28586 21207 35588 99.1047 99.1052@5.2980003 2556 5363 99.1052 100.0161@2.335 4300 100.0161 100.0165@2.398 4832 100.0165 Glutaral (Glutaraldehyde) 4650 4320 4538 2068 4334 4143 3742 4713 6326 12097 12759 10707 9440 3518 4100 5917 11126 10384 3037 3419 5664 4690 3360 3853 3327 2296 4059 3273 3211 3518 2994 3483 8552 9083 2866 5877 3888 3350 4883 3621 2665 3265 3485 2787 5452 4819 6535 8678 3574 3539 3268 3588 3494 4901 5011 4055 3530 3020 C12518 100.0522 100.0522@1.2226666 9782 2934 3580 100.0522 100.0523@1.4500769 4808 2522 2523 5328 3818 4359 6320 6460 8498 8177 9025 3277 4125 100.0523 Glutaral (Glutaraldehyde) + 6.687109 1983 2462 4840 3782 3409 3585 7035 8103 3134 3225 3749 4050 4391 4166 4357 4073 2917 3303 3989 3906 2810 3676 3635 8285 8268 4431 4734 3354 3688 2469 2481 2845 2522 51544 3957 5758 5285 2886 3171 3917 3533 3576 3283 2916 2851 2974 2993 2234 2447 5606 6036 3569 3313 1884 2255 4472 4341 3134 2976 93965 2489 2659 90755 63475 4767 3396 3061 2650 2633 6755 7076 72068 2661 2567 2639 3169 3186 7117 6664 4700 5055 3897 3200 C12518 100.0524 100.0701@1.8290001 8168 2820 4038 7358 1946 100.0701 100.0709@1.7715 5396 4085 100.0709 100.0859@1.1231112 7452 8144 2229 2191 6341 7446 1883 4542 4617 100.0859 100.0873@1.1716666 7049 7665 5159 4923 6708 6132 100.0873 1-Methylpiperazine 5041 4730 5068 5347 3572 3674 5693 5191 3289 3092 4113 3960 6958 5901 6722 7039 2472 3964 3573 6507 6034 6408 6416 3720 3996 3545 3794 7326 8184 4630 4677 3294 4440 4420 100.0993 C5 H12 N2 6462 7488 4459 4436 9197 9746 6938 6957 5144 5502 4424 4961 5351 6132 3848 5484 5018 5837 5653 6087 5757 5130 5534 4022 4547 6006 4060 7039 5439 2265 4131 4939 5273 4902 5200 3747 100.1013 100.1014@4.2495 2976 3266 100.1014 100.1055@4.58 1442 100.1055 101.0479@6.738205 2857 5414 7244 7822 7539 9510 8941 6681 7453 7754 6670 8551 9076 5408 5024 4197 4389 4326 4634 6403 6092 3775 3607 4333 4053 3710 3251 5072 5061 5366 6029 6282 8496 8677 101.0479 101.0485@1.7114999 3988 3890 101.0485 101.0521@1.707 4151 101.0521 101.0564@1.9952224 3949 7734 8563 4463 4687 4376 5535 4584 5845 3217 4493 2486 5117 4041 4026 5737 5823 5513 5586 3735 4804 4569 5860 5246 3532 3913 101.0564 101.057@1.995 4986 5462 101.057 101.0576@3.7625 5025 5269 101.0576 pentanamide 7750 7770 8434 9423 10524 10061 13916 14347 11570 11129 10434 10320 12910 11824 6947 6716 10650 10652 9093 9373 10994 9672 10191 9986 10805 11543 13926 14353 12323 12262 12418 11996 9449 8989 10682 10845 8583 9175 13135 12524 13216 12287 9187 9880 8006 8489 8615 8914 11907 11628 13415 11752 11373 11460 10591 9997 10382 10379 11993 11623 7048 7046 11409 11638 12819 13160 8683 8929 10033 9967 10998 10916 11008 10976 9307 9775 15563 16391 12158 10636 8596 8623 9365 14327 17208 11872 12042 7008 7460 11726 9992 C01842 101.0841 101.0843@5.897095 2883 2498 2481 2596 2894 2875 5469 5969 7978 7571 3928 3414 2793 3147 3029 2743 3438 3705 3922 2698 3141 101.0843 101.0843@7.552 2531 2439 101.0843 101.1203@4.555917 3075 2943 1796 1653 2160 2507 1829 1705 1304 3500 3768 6183 101.1203 102.0172@2.809 2930 102.0172 102.0252@2.798 8009 102.0252 Acetoacetic acid 19217 18267 20058 20827 23472 22811 33847 32743 24769 26766 25453 24993 28145 27708 14435 14889 25904 24475 20953 20087 25664 24181 21476 22162 26840 26206 34348 33824 28852 27908 29421 26540 21417 22495 27134 26197 19831 20507 28591 29186 26642 28322 20493 20822 18358 17280 19855 19507 27626 26486 32732 33124 26957 26311 24119 24275 25146 23544 28614 28514 16276 16207 26666 25855 30553 31485 20504 20450 23671 21544 25770 26718 23501 24497 22216 22666 32168 37954 22826 28064 19289 20010 16990 11268 42138 26607 27214 16011 17023 24980 24742 HMDB00060 C00164 LMFA01060003 102.0316 102.0319@5.8925 3985 4605 102.0319 102.0319@6.069 2916 102.0319 102.0319@7.53425 4802 6068 4342 31067 102.0319 102.0321@5.984 5234 5747 102.0321 102.0323@5.836 2986 3769 102.0323 C8 H6 82584 76926 74871 75509 72827 68362 53969 59084 74312 73172 63971 61212 58352 61749 66363 66088 65371 63219 60938 59803 93121 86821 52143 53543 65169 62155 62250 59750 64555 56920 70460 68582 60435 55136 69165 75127 48706 56654 69788 67493 52330 58871 69817 70628 63596 62284 62542 61505 78013 80302 87362 81957 60209 54420 52323 53563 61649 69607 80631 68438 68708 67326 57812 56209 61443 51578 65871 66365 59831 53062 56562 62733 51478 61781 74135 72091 81501 75635 75910 90933 88655 85242 77995 73644 97222 90875 75484 67944 70515 70873 70965 75801 102.0466 103.0518@5.811228 6149 5247 7911 6618 4962 5317 4275 4216 4520 4620 5487 5659 5050 7632 7775 4451 3122 4773 5970 5801 3896 3745 4468 3833 4842 5879 4976 4514 3679 4516 3437 4443 4856 4554 2827 103.0518 103.0557@5.8279 4825 5984 6841 5149 6621 5980 4228 6329 3271 5868 103.0557 103.0616@2.0305998 6145 6240 16681 4676 4100 5752 3434 3143 4650 3954 103.0616 Dimethylglycine + 2.050125 9738 6932 11327 13485 9015 8876 5036 10160 4107 6945 5002 7771 6080 5286 4462 6605 5250 6974 5945 10616 8095 3100 9219 9104 6437 5159 6249 1878 5767 7297 3873 6170 3718 6585 7784 7012 6737 6964 3559 7848 HMDB00092 C01026 103.0619 103.0624@3.9015 3618 5964 103.0624 Dimethylglycine + 6.4713974 6982 5663 8576 9687 6236 5184 10120 8338 8228 8299 4900 6686 3112 2227 9801 3016 8441 7247 7302 8082 7306 8246 13452 14392 6270 6941 11452 13296 5827 5869 4619 12111 8792 6350 4376 7222 6068 5426 7802 6486 7257 7117 4264 5993 9026 10354 9664 8608 6098 6402 10385 12426 20539 22026 5482 5610 6373 5073 13998 13966 3634 6641 7942 5489 10291 10409 3827 8936 9087 8983 6459 6057 2868 7312 10941 10268 5949 6965 4594 3885 9259 9535 9850 15346 14446 9578 9881 2400 3031 13654 12056 HMDB00092 C01026 103.0627 Dimethylglycine + 2.8044205 26147 22038 20965 20944 15781 15267 15351 12908 14787 12345 10949 8597 11459 5222 11197 8859 7676 10175 4025 9763 6131 7142 8330 8064 9403 8974 6263 11366 10908 11857 18657 11383 12770 12959 11816 11574 12098 12041 12256 9946 6695 7502 8225 5388 6835 5926 6801 2585 1543 5795 9648 10183 10491 8517 14394 10730 8608 12708 4643 7617 7043 6934 5408 3841 3895 4476 9397 8542 4949 HMDB00092 C01026 103.0629 103.0629@6.6867504 4837 1453 3759 7626 2977 3504 1941 2201 103.0629 103.063@3.8261247 3818 2321 5013 3240 1916 4379 7442 3848 6065 3310 2873 6112 6009 5508 3639 2649 103.063 103.063@1.4084285 3670 3279 5414 4211 4260 5573 5835 103.063 103.063@0.90433335 6564 4799 5001 3990 3327 3116 103.063 103.0631@2.7442856 4681 6166 2893 3621 2586 2886 5994 103.0631 103.0631@3.83 5443 103.0631 103.0631@1.488 3015 103.0631 Dimethylglycine 6063 6038 5229 8640 9193 6321 4387 5572 7450 5820 5145 5516 5482 5468 9340 8684 3634 3876 4728 2318 5769 5871 3557 5242 5170 4399 4406 4454 5945 6412 5593 4536 1757 5478 5002 12371 13214 3889 6582 7815 5355 7100 5293 1548 5062 5298 6025 5914 3979 4679 6057 6686 6063 4382 4728 3914 5866 7429 4497 5791 7114 5301 6033 5504 5808 4606 HMDB00092 C01026 103.0632 Dimethylglycine + 6.2130203 10982 13436 11868 2767 7252 4205 11293 8539 2742 2969 6737 6156 5342 10018 10712 4265 5942 5454 3666 5155 10223 6052 5773 5267 3464 1532 5920 4260 3488 4616 4781 4571 3244 7168 5158 7627 8241 10609 5529 8781 4193 6676 8419 6219 7035 6345 4817 5384 6102 4764 3510 4543 HMDB00092 C01026 103.0633 103.0633@6.5156665 5118 5398 5705 6361 4923 4231 5192 5517 11069 12433 3112 13147 2965 5318 10737 5440 2380 4578 4713 5054 3821 3412 4335 3208 2298 4313 5083 4871 2429 4675 3878 9096 2627 4739 2349 6718 103.0633 Dimethylglycine + 4.069634 3317 12808 16183 3833 3850 2811 2080 3002 7066 3773 3300 8459 5535 3879 3871 11078 13973 11750 5313 10957 3538 7356 3971 3654 3544 2615 2710 6446 4916 2808 4035 4243 5571 5292 9460 8593 7847 3333 7803 3180 10244 HMDB00092 C01026 103.0634 103.0635@5.83 4573 3183 1948 3462 103.0635 103.0635@4.1735 13401 11459 10105 2234 2401 6827 7265 9679 103.0635 103.0637@6.714174 6441 7760 4884 5078 3041 3577 4601 3063 3113 5208 3508 2026 4372 3052 3829 2759 2034 6619 6777 2564 3854 5856 3783 103.0637 103.0638@7.3928003 4889 2325 2101 5075 2354 103.0638 103.0639@2.072 6906 103.0639 103.0733@5.21 5125 6625 103.0733 103.0767@5.2041364 5849 4784 2616 2883 3085 3884 5169 3557 3807 3347 3131 2337 3339 4759 3463 2880 2765 8125 6622 4274 4923 2429 103.0767 103.0802@5.2015715 4083 2834 4156 3802 4205 4504 4114 103.0802 103.0839@5.201 4496 103.0839 103.0949@6.8632503 1580 1567 4985 2366 103.0949 103.0958@5.303 2918 103.0958 C5 H13 N O 3817 17598 19163 17464 6893 1075 20411 8750 19965 3027 7326 18379 5398 4797 6058 6632 10089 23157 23937 10900 9865 22072 7146 12318 9596 22620 28146 18742 9634 7715 9220 22915 11024 12718 22851 103.0983 103.0986@6.5305004 16869 11766 103.0986 2-Amino-3-methyl-1-butanol + 6.472044 10952 8835 23095 30749 32119 30161 31235 15285 9053 10700 19440 17931 21279 20350 8969 7957 29381 18572 12317 10273 26580 12019 29051 27773 21458 34117 26772 9369 22374 23661 7834 8006 7061 22783 11854 7303 7600 26230 24042 17191 13347 19569 32565 15488 22682 21993 15751 12718 7895 11261 25609 14683 8967 36256 22573 22581 21224 36867 17091 11914 31558 18340 9526 21118 30645 11445 9277 10499 10752 30515 14458 22468 18674 19614 17982 14439 20990 21844 22634 12952 26986 22419 22090 35091 9530 22576 24483 16177 14408 34540 34898 103.0988 103.099@5.9297333 9281 8442 2910 57037 45000 19260 28731 31268 3392 86498 5774 4016 4389 86736 3166 103.099 103.099@6.5176578 15635 22305 12555 2442 2867 18095 22275 10166 14314 14041 19432 4885 11801 12860 19619 11614 13409 13656 10609 13191 13646 17818 16237 23829 10807 7689 3403 8075 11641 8107 10840 12012 12205 10697 15163 14502 18689 1870 103.099 103.0996@5.8199997 79128 146314 93121 151959 150503 228093 81046 175278 188988 168437 203160 172182 20601 277071 390110 343565 200339 153341 103.0996 2-Amino-3-methyl-1-butanol 5178200 5260251 4390412 4394990 3643757 3678622 4485150 4723459 5241059 5275429 2997218 3007929 4776016 4717434 4574573 4755113 3577069 3563856 5118095 4998419 4946688 4910706 5118939 4907714 3988018 4000166 4436431 4221968 4192151 4202816 5022607 4745277 3466108 3446186 4145033 4162133 4086424 4174551 5281270 5479212 4303385 4386833 3695114 3744736 5121586 5422085 4433053 4627075 3705009 3665178 5300372 5467669 4657752 4655937 4449975 4424238 4461853 4464265 6632596 6421010 3252120 3271076 3492821 3498424 4213238 4206767 4407354 4427223 3703441 3626014 3463516 3523034 3593427 3583984 3471691 3723143 5278335 5655141 5592793 4492645 4371782 5395115 5720976 5703838 5160741 5273814 4949201 4940658 3759123 3699237 5277678 5479104 103.1003 103.9125@5.771 1503 1565 103.9125 103.9168@5.751375 3547 1638 1284 3448 2608 1233 4051 3093 103.9168 103.9206@5.753 2869 3791 3240 1304 1541 103.9206 103.9314@5.7574997 2411 2813 103.9314 103.9367@5.7562 1100 1189 2473 2472 1118 103.9367 103.9422@5.7555 2671 1687 2292 2324 103.9422 103.9453@5.7469997 2330 3607 2165 3692 103.9453 103.951@5.743 1612 2317 2002 103.951 103.9574@5.754 1670 103.9574 103.961@5.75 1503 103.961 103.9729@5.748143 2610 1708 3698 1049 3285 1708 2882 103.9729 103.9761@5.7547145 4097 3173 2622 1313 1553 2497 2172 103.9761 103.9814@5.7556667 2689 2412 2187 2687 1321 2502 2076 3182 2359 2925 2433 2509 2637 1417 3023 103.9814 103.9843@5.4644246 9566 9804 10735 11238 10823 11243 11000 11525 10437 11091 10453 10720 10732 10920 10621 11048 11109 11030 11127 10758 10976 9877 11671 11337 11695 11834 11299 11092 11483 11417 9783 9673 10487 10047 11548 11313 10967 10938 11679 12485 10783 10872 10223 10121 10759 10748 10707 11096 11908 11686 12527 11513 10189 11213 11555 11225 10831 10699 11085 11625 10827 11784 11443 10403 11479 12606 11324 11232 10001 9654 11236 11390 11178 11369 11336 10638 11078 10929 11261 10813 10615 11353 11306 11093 11291 11053 10811 11540 11692 12026 10666 10576 103.9843 103.9861@5.7571664 2291 2793 3364 1428 1687 2820 103.9861 103.989@5.743 3178 103.989 103.9942@1.033 3001 103.9942 103.9993@5.7556 3556 1426 3285 2317 2424 103.9993 104.0062@5.7595 1676 1429 104.0062 104.0109@5.75 1562 2179 1808 1282 2513 2434 2223 104.0109 104.0213@5.7419996 2802 3006 104.0213 104.027@5.732 1575 104.027 C7 H4 O 86024 84879 147398 149257 183187 183633 385163 394437 51709 50206 24760 24575 159136 155090 114748 115824 76405 74247 30312 29325 153180 156771 48696 50570 198506 201443 336779 327652 77740 75762 286165 284679 243059 236405 69671 67597 86299 86774 121305 119758 238679 248043 44055 41739 80725 84319 103054 103100 366876 364872 174363 172913 64347 66558 62412 59391 83076 84256 53006 52106 45141 45033 40945 40671 118383 123170 46195 48280 259261 248182 38467 39233 17975 18739 69881 68550 20782 20597 25101 25715 488602 454502 448083 12500 11156 133657 126793 27240 26888 77298 75342 104.0274 104.0284@3.919 4259 104.0284 104.0286@2.1920002 4440 5224 5556 104.0286 104.0292@3.318893 8516 9581 4917 5028 5710 4664 4142 5798 3429 4566 4196 10765 8255 3128 3601 4282 4095 5769 3903 3465 4871 5929 3852 3452 4423 4458 6999 5308 104.0292 104.0301@5.7557497 1342 1386 1469 1262 104.0301 104.0302@1.0524 4337 4020 2217 3933 3782 104.0302 104.0313@1.131 1891 104.0313 104.0332@0.7904043 3677 3465 3302 6092 5863 5157 4739 4165 4317 4310 3923 2952 2841 3117 3334 3359 2715 2599 2164 2797 3182 3207 3519 3448 3588 2599 2601 2098 5823 5483 3563 3716 2579 3773 3471 2626 3354 3277 3834 3684 4290 4025 2857 3477 4258 4579 104.0332 104.0338@6.686 2281 104.0338 104.0341@5.2904997 3022 3479 104.0341 104.0369@3.536 5264 5136 104.0369 104.0375@1.1151818 3345 4637 4876 3741 4104 4788 3429 4329 3165 5788 5476 4247 3090 3846 4599 3278 6376 4054 6438 4476 5677 3793 104.0375 104.0383@5.646 2066 1653 2429 1350 2711 2499 1680 104.0383 104.0392@5.602 2490 104.0392 104.0396@5.755 1635 1747 104.0396 104.0406@1.1115 6615 5778 2019 2943 3632 4470 2813 4957 104.0406 104.0438@1.1047499 8598 8942 5548 2197 104.0438 104.1018@5.856 2179 3790 104.1018 104.1126@3.0345001 1275 1648 104.1126 104.1127@2.999125 5546 4270 3981 1629 4431 5271 6585 6121 104.1127 105.0586@0.7904362 4421 6691 2835 2703 2760 7739 7479 6805 6657 6621 5328 4275 5605 2687 2686 2963 3431 3586 3743 2741 2716 2467 2413 2399 2745 3990 3719 5671 4288 2977 3517 8824 8785 1926 3852 4254 3023 2789 4177 4229 3865 3085 2634 2739 4073 2633 4181 6468 3872 4200 3353 4020 4796 7235 105.0586 105.0587@1.236 12852 13040 2606 105.0587 105.0765@1.7275 2944 6176 105.0765 105.0784@6.758428 2510 4592 1981 1687 4377 2949 3621 105.0784 Diethanolamine + 6.6559505 4730 4051 3708 3974 6889 7805 6427 6092 2230 7789 7196 6032 3867 4089 5710 3358 5135 3635 2603 4869 7329 6387 6971 4711 2371 5094 5977 6803 7963 4313 2486 5980 2566 5321 4694 6561 5918 6050 6711 6272 5608 HMDB04437 C06772 105.0786 105.0786@7.3734446 1932 6694 3453 4426 2669 4941 2785 2514 2794 1498 3352 2275 4592 2216 1444 2228 3905 2695 1956 2562 1814 3324 4697 3261 4257 4067 4947 105.0786 Diethanolamine + 6.525427 27774 4020 4425 4171 4461 4149 2664 4786 39792 3939 4471 5003 2952 4465 2038 3784 1624 4750 3267 3573 19477 3745 3812 4032 5137 3155 3779 3856 4557 3388 5082 4355 4033 17550 4709 2772 4559 4747 4378 9751 4297 4845 4390 3689 4875 4583 17923 3116 3566 3898 4832 3839 3131 4053 3944 4323 4442 4226 3977 4228 3675 4023 3805 3952 4075 3453 4050 2801 3670 4221 4513 3126 12284 2724 4556 3820 3204 3280 4546 2940 3077 4250 HMDB04437 C06772 105.0787 105.0787@5.346667 7885 13287 13466 1831 10991 7885 105.0787 Diethanolamine 4642 5403 2580 12009 28019 11594 10901 5459 7209 2543 5412 5812 10728 26718 5470 6547 5179 4024 16857 5144 4550 14105 14617 6588 24955 15907 5660 3260 3116 24238 17160 8203 3481 7869 4270 5712 9325 37676 10472 3972 5713 7762 HMDB04437 C06772 105.0788 Diethanolamine + 5.527126 15550 15135 10687 7984 10246 20108 14836 19256 15135 12142 2746 13772 20728 13618 6327 8374 10034 8589 23600 9698 8740 10383 9776 18749 4019 8334 6593 13689 5506 14736 25025 9491 8730 4281 10549 19474 7912 10016 9345 5235 9065 9716 14316 10444 13386 23779 10367 7822 13382 7968 10517 9240 10439 26723 14055 19742 8533 10682 13895 24983 9119 9538 25844 8960 9982 9552 5083 10134 19147 10027 10357 8846 24957 16019 13130 11375 9734 15108 16401 14520 HMDB04437 C06772 105.0788 Diethanolamine + 6.332912 16682 22556 14628 14620 19686 21060 5514 56721 2816 37180 11953 11290 18379 18670 20292 6947 12504 15526 14778 14633 13656 13452 18455 1506 26625 24117 16096 18432 13634 13532 16679 14759 19340 13718 82880 84125 16928 2631 21038 22149 21142 20766 12348 1664 17546 17529 22600 23274 26882 26159 6708 15730 17436 20755 18032 17453 15279 14212 32434 33277 10412 8959 18364 16181 11766 13519 13422 11570 12630 14177 14259 15355 8462 11566 12934 11161 13409 13128 12330 5108 24239 23719 25999 20113 18589 34220 32750 12943 13649 22494 19017 HMDB04437 C06772 105.0788 105.0788@6.476 55625 20119 1763 105.0788 105.0788@6.565 1521 4379 5259 4491 4819 5211 4126 4481 105.0788 Diethanolamine + 5.649868 26034 19898 14260 11909 7715 14474 6690 9618 20328 15759 17959 13133 8120 30024 6997 5813 8957 7303 7709 8455 10443 6682 8927 8867 7799 6522 3910 9347 6938 9366 19640 20314 10648 24156 25822 12014 9053 6800 8208 4398 9464 9098 9799 6549 10138 15355 8100 33586 8397 6675 16497 5963 12176 HMDB04437 C06772 105.0789 105.0789@5.682578 13620 9613 10177 1978 16911 11578 8233 25051 12360 7453 12354 4610 12518 13986 11563 4445 15274 11571 9830 105.0789 105.0789@7.243 2385 2669 105.0789 Diethanolamine + 5.8253593 47036 30906 31236 36764 35288 37244 26208 39471 32701 53748 33593 32813 26657 52384 28886 57016 31433 27722 36543 28562 38164 39264 37511 37070 38395 33958 29533 37363 37894 39098 62544 31221 31605 53425 34841 33298 39667 28567 30129 53080 30844 32623 35298 32254 33010 35961 55252 36437 37668 36298 34590 34508 38409 38387 36688 34436 38932 38092 56636 59320 34075 37309 34242 32537 33727 52942 31178 29033 31923 33868 35420 37870 38725 35087 37015 38503 60803 50754 40919 35281 7032 34298 34263 56440 38938 38047 36732 34851 56989 36174 42171 56037 HMDB04437 C06772 105.079 105.079@3.848 4624 105.079 105.0791@3.903 4295 105.0791 105.0976@5.759333 5432 5461 3553 105.0976 105.9424@5.5108266 7270 6748 7986 8020 7436 7625 7414 9958 9061 7360 8759 6844 8771 10462 7681 7329 7833 6861 10623 7892 7599 7232 8310 7506 7719 11463 8489 7148 7627 7256 7414 7540 8006 8099 11018 8976 8612 7622 7827 9160 7327 8481 8798 9101 7512 7366 7074 10219 10165 10028 7385 7344 9913 10160 7873 7655 6798 10806 7816 8121 8020 6772 7235 8420 9184 8936 7329 9970 6232 7546 7863 8058 8599 7377 7288 9849 8047 8281 6904 7638 7063 11444 5930 10736 8715 7731 7863 7608 11230 8107 6894 9755 105.9424 105.9433@5.5845003 2846 2237 105.9433 106.042@5.6100664 2403 2753 2643 2585 2357 2445 2525 2448 2834 2669 2489 1897 3805 3541 3366 106.042 106.0432@4.443 2552 106.0432 106.0625@0.829 7197 3985 106.0625 106.063@1.154381 30538 28688 24796 28795 9881 9292 17472 17695 8328 7216 17905 27675 26961 6695 8899 14257 13927 21757 4876 10290 2906 106.063 106.0651@1.1777499 6436 6178 3553 4506 6912 3560 3460 3656 4227 4596 5014 4444 6393 4061 3146 4949 5459 5355 3410 2849 106.0651 C4 H10 O3 26709 25818 21906 21800 15773 13414 18520 19823 15959 7879 21472 23703 10507 11007 27862 29323 24487 24276 16935 15848 21056 20520 14563 13715 22151 29213 17635 9961 22301 18644 14008 13620 20255 18545 13220 14608 16407 17544 11182 14078 20648 20848 13354 12508 14762 15839 7317 19425 19096 18747 27981 26935 16023 17423 13070 12638 25262 29812 22890 19181 14806 14637 7876 17196 8272 18200 11160 11576 9504 29680 18671 17935 23081 21864 18152 15583 17447 11919 11698 4810 11218 11600 18945 20552 27835 29536 16544 19551 17868 21210 106.0653 106.0677@1.171 4874 106.0677 106.072@1.1443001 11594 26355 2934 6289 5440 3230 6394 19875 12092 2781 106.072 106.0767@1.0579001 1612 1906 2027 2172 1942 1985 2991 2217 28687 2489 4164 1742 1795 2867 2244 1465 1916 2172 2240 1700 106.0767 106.959@1.025 1854 106.959 107.0365@1.925 2772 2731 4916 4562 2090 107.0365 107.0371@0.853 13299 9593 8525 6996 3797 107.0371 107.0371@0.817 3490 107.0371 107.0374@2.3647695 3523 4384 4653 6436 5953 10954 12654 8190 7193 6361 6875 3412 4585 4387 7867 8227 4984 6125 6833 4442 4296 5076 8691 9988 10137 5877 5525 5644 4936 5930 9268 8732 4766 4513 10318 10542 6489 6479 4860 107.0374 107.0382@2.416 3087 107.0382 107.0398@2.8422499 5999 5951 4844 5021 107.0398 C3 H9 N O S 10350 10958 9203 10008 13077 13291 20122 20881 10226 11345 10722 11851 10929 11569 8232 8060 8104 8380 11434 10966 5878 6153 9321 10119 19282 18910 11827 11109 7035 7021 9519 9341 11815 11307 8678 8791 19831 18906 10953 11008 19524 17377 7339 7078 10416 9966 9091 8804 5870 6294 7597 5016 7321 7277 11235 10585 7389 6615 25954 26150 10450 9677 8942 8914 6912 7630 9199 8911 10489 9106 10914 11601 8556 8858 7784 7795 9740 5621 10023 6342 5822 12525 12060 12099 7533 7280 9080 10015 12094 12276 10365 10000 107.04 107.0404@3.276 3330 107.0404 107.0734@5.2066927 4969 5287 6805 6138 3748 3903 5160 4622 5200 5733 4132 4188 3504 107.0734 108.021@2.7361903 2385 8772 4167 3831 5298 10104 6785 11805 7648 3942 4356 4241 3073 6145 7520 6051 7918 4206 4112 3376 3122 108.021 Quinone 6553 5211 9853 15160 17822 17157 19497 21346 6156 17848 5309 2872 16058 6669 16488 7065 17047 17448 16075 16106 3839 13421 3387 21248 7417 6861 17088 10844 15783 13213 15361 14930 18251 18181 18663 6211 11026 15943 16841 5544 6407 15296 16134 17215 17604 3610 17677 13204 15239 12032 16763 3787 5281 11432 7284 6520 9586 9546 6113 18094 10158 2795 8902 18713 15632 10675 11371 6626 9428 15782 15630 3470 17071 15867 4385 15604 15966 3701 18646 18031 4611 9012 16078 12617 HMDB03364 C00472 108.0212 108.0213@2.5712273 5516 7556 4458 2979 8276 4819 5600 2893 7570 3694 4210 5811 6064 6047 8949 8254 3222 5840 9252 8357 5388 5512 108.0213 108.0438@0.843 3485 108.0438 C6 H8 N2 56827 62352 61484 60737 60619 60982 60149 60125 58214 57765 57065 56468 56083 56327 58740 59411 51660 52737 54099 52527 53430 53117 58919 57699 58089 57467 58493 57311 58930 59298 55566 56650 52243 50986 54888 54539 52167 49784 56026 53975 53582 54200 48411 51136 53185 53198 56172 57238 58755 59178 64040 64603 53897 52971 60649 59831 56643 59828 59893 61034 57716 58551 52693 53106 55236 56887 55731 54245 50440 50542 58127 59694 59016 59997 56081 55687 58394 55608 54916 55171 56825 59900 53537 54980 57117 58946 58156 61419 61865 60630 54046 52333 108.0666 108.068@6.995 3947 108.068 108.0929@1.148 2220 1857 108.0929 108.0931@1.189317 6556 5339 7289 5241 4810 8479 6503 6523 6810 3147 20950 20135 3874 3625 2980 4066 5153 4017 6065 5883 3524 2736 4507 12423 13164 7543 7173 2836 3932 4417 3630 3180 4172 5265 4283 4274 3795 2656 3286 3063 4278 4066 3088 4267 4445 4367 5184 5400 4720 4299 4913 5111 3782 4289 2980 4694 4279 3259 3097 4761 3251 3928 5665 6376 7537 6409 6846 5829 6256 5373 3772 5622 3898 5041 6140 5252 5461 7753 8624 12434 12469 108.0931 C8 H12 5515 5880 5131 6889 8470 8636 7185 3233 7380 6926 7073 8286 9060 6966 5040 3880 7491 8210 6857 7055 6635 7343 3926 3167 3774 7638 7001 6842 6417 10358 6981 7001 4836 5821 6992 5848 5203 4626 5860 7222 7152 6343 5161 8175 9770 6942 5822 6705 5781 5655 5688 4439 4451 5372 4884 7744 9218 8343 8147 6849 6994 8015 8140 6433 7282 6215 6798 12599 9624 6036 7718 3353 5194 4010 5044 13685 5731 13088 7072 7411 5561 4804 5444 5739 5839 6554 2284 8007 7914 5692 6006 108.0932 108.0937@1.121 2828 108.0937 109.0274@2.652091 1857 7117 4109 6454 6425 11224 4655 4887 5803 7530 7162 109.0274 C4 H3 N3 O 6200 6122 2481 2632 3788 3873 5711 5091 7654 7259 10285 2971 5438 9233 4214 3760 5660 4876 2941 16261 4468 10111 10136 6684 5200 7694 6537 6701 8617 12183 6097 8849 9776 9156 4664 4923 3838 3328 109.0278 109.0523@0.8225 1600 3844 109.0523 p-Hydroxyaniline 17111 17897 7694 6479 34753 34333 108030 116945 65702 68899 5905 5436 14057 14310 23427 24125 3431 5315 73054 71569 32322 31897 5376 4971 21491 23140 47745 46995 2749 15804 11869 51567 50590 48883 49043 7014 6677 40434 38428 22400 25131 3970 3857 40610 38869 6687 5397 5317 7743 30935 32120 31519 36362 9579 6614 5104 4987 5909 6963 4614 3910 2990 3223 14022 16694 13425 12668 6977 5205 5222 8569 9413 25278 27513 15384 15781 109.0524 109.0525@0.7826389 5691 5042 5048 2694 4467 3569 3896 5421 5505 5958 6764 4407 3862 6237 4647 10971 11904 12644 9575 53457 52865 7175 7782 3127 3870 8240 8475 2100 4974 6395 2800 5182 7905 7481 15691 17028 109.0525 109.0525@1.1925789 6498 6640 34160 32305 4582 5248 11664 13616 17550 17510 2229 26228 26165 5176 4963 6215 27332 28097 109.0525 109.0526@3.0375 7696 8467 109.0526 o-Hydroxyaniline 4873 5642 35688 34363 28479 29201 75454 77022 8553 7099 18419 19218 2408 4264 3463 8534 6340 19261 19653 13506 12620 30270 29818 10199 12552 15187 14863 39283 38195 40907 41021 2646 4803 4320 23450 22085 8096 7662 9818 9450 18330 16892 14566 14581 9693 10352 42862 44156 9797 10517 2088 9816 9797 13911 13764 16808 16261 16221 16352 16653 21793 21026 109.0527 109.0528@1.91625 3935 18690 2641 4990 109.0528 109.0537@6.0865 2376 2076 109.0537 110.0373@1.1254616 10459 10872 3021 3306 10404 9089 2424 2446 1921 2531 2201 6203 6747 110.0373 110.0502@1.4715599 5444 3392 3000 4857 5296 3998 3701 3484 7269 9991 4124 4584 4420 4928 2589 6576 5363 6354 3685 2770 5146 2929 2858 3983 3714 110.0502 110.0502@1.5773335 4213 6402 3867 110.0502 110.0691@1.214 20500 110.0691 110.1068@1.2114999 2957 2592 110.1068 110.1078@1.0526208 4446 3755 6200 6041 6269 4746 5156 4409 3572 4012 4526 3522 4950 3518 2970 5922 4867 3474 4465 5269 5065 3522 5946 4514 7119 6760 6563 4738 4013 110.1078 111.0428@3.3691177 3150 2453 2860 2186 1389 1680 1685 1677 1505 4905 8505 3346 7783 6238 1801 2483 3442 111.0428 Cytosine 11501 11627 5102 8201 11874 11359 8063 28523 7238 7122 11833 11965 16668 14359 7590 6872 10399 10181 7579 6229 7327 7209 6540 5971 9452 8928 9268 9638 6094 10074 10592 6144 3001 6544 6481 8736 8547 10001 10100 7168 7451 7224 7478 8435 5606 4440 3561 9299 8625 5749 5854 6450 6063 20543 20295 10950 9303 10356 9257 6020 5612 2980 5761 5372 12103 13676 10594 10780 6579 3949 8739 10356 5328 12232 12889 14076 6346 4509 14397 13536 4096 9549 10222 9172 HMDB00630 C00380 111.0429 111.043@2.185 24679 3302 3363 3111 111.043 111.043@3.4585 3691 5862 111.043 Cytosine + 3.4283657 18364 20028 19334 16763 15242 16790 18715 19548 21282 21192 14827 15223 20343 20557 17923 17153 18306 20088 11878 11392 13910 14560 15148 15494 17845 15958 23421 20045 15175 16297 17898 19670 14808 16642 19175 19600 14393 15377 16024 15264 11396 15309 14202 12985 23531 21287 22814 13792 17279 14411 22723 22989 12487 12033 13209 13424 2963 12632 9793 27189 12453 12417 15953 16267 12834 21465 15992 15354 15241 17964 17092 14308 15836 16905 15008 20070 19643 15408 15355 22570 22098 20107 21110 19240 16558 17043 10653 11322 21016 22968 HMDB00630 C00380 111.0431 Cytosine + 3.9679208 14007 13248 3857 4611 13960 14200 17244 17715 7660 7690 8740 8409 3905 4158 7658 7623 3366 3291 3909 4236 3119 3630 6280 6652 6805 6125 7462 8938 3272 3522 5244 5508 6112 6519 8177 6953 6422 6224 3077 39017 39566 12386 11422 32740 28686 5999 5759 6356 6325 8650 8773 8456 8056 3185 3642 3176 2776 2965 6790 7271 4888 4512 2549 3199 4041 4330 6559 6457 6793 8782 6129 3591 3744 37555 35151 HMDB00630 C00380 111.0432 111.0671@1.9226665 2585 5262 6215 111.0671 111.0677@1.47315 9012 8628 12866 8417 7154 8664 4513 5426 9583 13437 23523 25169 3122 3261 9265 9753 20999 12664 4672 5709 111.0677 111.068@1.5824001 6508 4664 10489 5548 6748 111.068 111.0793@4.5 2321 111.0793 Uracil 30696 31270 25330 24678 26831 27671 28247 26868 21894 21957 24573 25119 24779 23913 22127 22216 30680 29079 29812 27797 13707 13010 19254 20066 24488 21785 20091 19587 22139 23012 27025 27564 27805 27227 22359 21701 16764 16158 31419 30996 20122 20851 35869 36002 25426 25166 18935 19457 18688 19661 38715 37738 24506 24969 25297 25818 38424 36420 21747 22745 34581 34606 22416 21640 25116 25252 24927 25041 16291 16499 18959 19458 24390 25116 31839 31222 5719 26050 31117 30943 31821 30521 30800 38359 35500 35274 35146 26867 26458 21833 20729 HMDB00300 C00106 112.0271 112.0281@1.707 2019 6137 4069 3108 112.0281 112.0532@1.0475 2627 2091 5499 4649 5911 2688 112.0532 112.0534@1.116 5766 112.0534 112.0618@5.6136665 2214 2167 2446 112.0618 112.0748@5.0423846 7749 8351 24217 23936 10932 10560 47778 44543 42363 42953 17846 19055 18525 112.0748 112.0845@1.163 12039 112.0845 112.0904@1.181 7329 112.0904 112.0999@7.3687997 4225 8927 7848 5769 5048 112.0999 112.123@1.113 4458 112.123 112.1249@1.0733635 2619 2606 2876 2756 2899 2730 3226 2669 2232 2550 2382 2325 1774 2544 2383 2302 2154 2275 2605 2243 3325 3083 112.1249 113.0487@2.5366666 4751 3844 4540 3404 6024 5143 113.0487 113.0497@2.0370626 2974 4845 18671 18041 17767 16909 8603 6998 6214 5538 63432 65223 7005 6976 13043 14540 113.0497 113.0508@2.5357368 2362 3366 3713 3695 3899 4124 3435 4365 2763 4126 3172 3117 7055 5299 3315 5161 6116 3274 2959 113.0508 113.0512@1.242 3874 113.0512 113.0537@2.0438948 2844 4598 5511 4598 3326 5339 5129 5161 4255 5144 7157 3662 3649 5518 5235 6161 6627 5140 6305 113.0537 113.0577@1.287 4590 113.0577 113.0582@2.3961997 7151 4833 5236 10631 5179 113.0582 113.0588@4.1895 8738 202549 113.0588 Creatinine 17434 18360 12130 12302 8330 8165 36555 40523 13701 11221 7723 8958 7548 13166 8608 10703 10444 12275 3147 7626 8259 8719 9896 10099 18225 8770 7576 7356 7637 6282 14563 21464 7328 7883 6418 5743 5178 8775 13226 14862 10800 7127 6917 10223 10183 9321 13280 6798 8023 9618 9548 7141 8383 7027 5459 7075 6496 9692 14325 11369 9813 10451 7969 7930 9958 8332 10015 8500 8687 10557 10724 6738 6240 9565 9245 15630 16540 12678 11751 11891 13333 15822 13555 15162 14191 15149 16650 16559 24065 19267 HMDB00562 C00791 113.0591 113.0591@4.1629996 509413 1066308 39520 331902 3032 5956 391435 416735 3562 262634 251271 440091 5370 84589 464344 569495 49740 393560 113.0591 113.0592@6.95 12952 113.0592 113.0595@4.622667 8960 9164 5334 113.0595 113.0596@2.925 10568 9472 10323 113.0596 Creatinine + 4.034313 1.60E+07 1.62E+07 1.39E+07 1.39E+07 9542495 9521164 2.04E+07 2.00E+07 1.27E+07 1.27E+07 1.08E+07 1.08E+07 1.37E+07 1.33E+07 1.14E+07 1.10E+07 1.19E+07 1.19E+07 1.06E+07 1.10E+07 1.19E+07 1.24E+07 1.27E+07 1.27E+07 1.02E+07 1.06E+07 1.05E+07 1.09E+07 1.05E+07 1.06E+07 1.48E+07 1.47E+07 9965552 9906346 1.10E+07 1.10E+07 1.10E+07 1.10E+07 1.34E+07 1.35E+07 1.20E+07 1.21E+07 1.04E+07 1.07E+07 1.26E+07 1.27E+07 1.18E+07 1.21E+07 1.14E+07 1.13E+07 1.11E+07 1.11E+07 1.10E+07 1.05E+07 9964636 9890222 1.12E+07 1.13E+07 1.53E+07 1.54E+07 1.10E+07 1.15E+07 1.17E+07 1.17E+07 1.01E+07 1.03E+07 1.25E+07 1.27E+07 1.17E+07 1.16E+07 1.27E+07 1.07E+07 9898424 9497873 1.26E+07 1.27E+07 1.50E+07 256639 1.51E+07 1.17E+07 1.17E+07 1.45E+07 1.54E+07 1.48E+07 1.45E+07 1.45E+07 1.49E+07 1.55E+07 1.13E+07 1.28E+07 1.47E+07 1.52E+07 HMDB00562 C00791 113.0597 113.0604@1.653 1262 113.0604 113.0611@3.9194999 5271 4369 3489 267341 3237 7023 6978 2579 1.35E+07 1151361 113.0611 113.0625@3.024 5142 113.0625 113.0655@3.8690002 2589 4709 2995 2599 113.0655 113.0671@4.359 7190 6299 7733 7731 9213 4735 5911 6408 5891 9598 7338 7425 3665 113.0671 113.0684@5.039 3774 5001 113.0684 113.07@1.609 3079 113.07 113.0746@1.6265 2329 2068 3336 3449 113.0746 113.0761@1.639875 2675 2149 2605 4064 5367 4983 5418 4996 113.0761 113.0771@2.544 4852 113.0771 113.0794@2.5286925 6170 6287 4658 6492 5094 1867 4715 6002 4069 3591 4052 3060 4241 113.0794 113.0812@1.213 2957 113.0812 113.0819@2.509125 14222 14192 13437 10722 5992 6791 6657 1622 113.0819 C6 H11 N O 19386 7330 9980 14107 10224 10941 14919 9703 11171 8729 11094 7737 7513 21317 21634 25449 10390 6262 14277 8609 11474 26514 13758 10272 35798 32121 11001 14128 10137 19369 17905 16052 22243 106653 8451 8864 18222 14017 11593 4768 4798 14011 11223 11969 11053 29805 5310 5863 9354 29176 113.0824 113.0826@1.509 18044 113.0826 epsilon-Caprolactam + 6.1013503 15651 14914 9929 10556 29897 29549 5981 5847 20853 20940 4508 4639 8214 9110 9286 2053 5172 5020 15745 16426 19657 20645 7407 7281 8227 9395 5614 4367 16619 16457 2832 7287 5190 7949 8389 7050 6213 7071 6236 7617 113.083 113.0833@1.4568889 20933 14031 20020 26241 18552 33008 75765 41082 27006 113.0833 epsilon-Caprolactam 17431 17730 33688 22221 62950 77577 30878 39303 25205 51877 59640 41147 22714 33555 30288 44664 42457 66129 69186 118859 90979 122445 119382 131140 131373 90694 111891 71114 67755 17526 14658 36329 30555 15793 13597 20482 18638 32930 40055 34255 32460 60532 48289 34262 33534 48166 56397 45656 46172 89628 69559 120473 119310 49341 78645 122182 106120 76138 74633 26917 29674 30816 23541 35644 41219 51029 52517 29406 28029 104806 108199 64614 63554 53556 78647 17900 80144 53786 45746 112307 104755 99341 119650 143792 112857 138818 65248 66089 91655 117916 113.0836 epsilon-Caprolactam + 6.236251 3005 3081 4786 13213 12974 12170 6961 8009 11681 11654 10942 10520 9344 9386 8973 8385 7272 9695 5265 12608 12498 7953 10685 11222 10554 11705 5771 7188 6657 9705 10182 13087 13787 5277 4657 3023 8995 8220 3862 17180 15694 7232 6043 19304 19660 8105 5604 6156 7116 2605 2321 2342 7193 5949 6076 4918 7205 4841 7462 7498 10454 9887 9102 9721 9412 2669 5198 5265 113.084 113.1195@2.302 4663 113.1195 113.148@4.088 44985 113.148 113.1497@4.1353335 2626 9347 2047 113.1497 113.9103@4.0377502 1183 5132 1876 2665 113.9103 113.9121@4.034 5658 113.9121 113.9177@4.0224285 5046 3964 1604 3845 1380 5349 4537 113.9177 113.926@4.0439997 3599 4757 3179 2793 2629 113.926 113.93@4.0481668 2419 3405 3238 1275 2154 2053 3861 3072 1580 3430 5186 6022 113.93 113.937@4.0249996 1544 6081 113.937 113.9425@4.03525 2619 5803 4108 1570 113.9425 113.9471@4.0274 3834 5289 3231 4716 2174 113.9471 113.9504@4.0275 3963 8646 113.9504 113.9565@4.0345454 5563 8608 3216 3284 6432 3992 3750 3867 3257 6782 8312 113.9565 113.9601@4.0385 1939 5868 113.9601 113.9644@4.042 7380 2578 4126 113.9644 113.9693@4.021 4225 2334 6272 113.9693 113.9736@4.022 6669 113.9736 113.9756@4.0283995 2787 2899 1361 5889 1857 113.9756 113.9827@4.0295 2044 6532 113.9827 113.9885@4.031 4025 4383 113.9885 113.9952@4.0356 2348 3146 3163 3178 2383 113.9952 113.9965@4.031 2841 113.9965 114.0061@4.054 3099 114.0061 114.0317@2.7028332 6408 2501 2739 3997 7848 4277 114.0317 114.0318@2.6539254 4354 6372 4708 8301 6418 7826 2011 1938 3465 3834 3726 4904 4432 7461 16296 4780 5604 5250 4235 2800 8461 3225 3480 15920 8038 8443 3123 7013 1673 8878 7445 7457 4495 7562 4993 2093 2688 4059 3064 8489 114.0318 3-oxo-4-pentenoic acid 10145 4032 5156 10232 8030 6618 5307 2627 11018 4171 15759 7268 2982 3893 4667 4023 7660 5600 4286 4699 5096 8862 2608 3475 5537 7833 3953 14473 7098 2716 3617 2872 6881 5510 5224 4846 7007 4916 4569 3924 2795 6362 2967 4594 4073 4620 114.0323 114.0351@1.227 1327 114.0351 114.0389@2.04575 4542 4999 8753 8984 114.0389 114.0446@1.46625 7922 8301 2497 4536 114.0446 114.0454@1.7617 6451 7101 4470 6470 3899 6647 5240 3995 3904 114.0454 114.0468@3.947 1983 114.0468 114.0475@1.461 2644 114.0475 114.0494@1.7809999 4800 4912 114.0494 114.0619@1.3415 3407 114.0619 114.0622@4.1843333 3250 3316 4164 114.0622 114.0652@1.338077 3399 3822 2421 3430 3767 2970 4089 3273 4567 3134 3466 3038 3178 114.0652 114.0683@1.1270001 6639 3738 3903 8207 16421 6604 2169 4167 6948 5996 7510 114.0683 114.0769@1.2049999 3424 3297 114.0769 3-Amino-2-piperidone 6009 6260 6807 5158 10857 10697 6278 4255 4255 6138 3914 5425 5055 4257 4088 7516 8642 6198 5960 4765 5088 5929 4276 5378 5426 6856 5843 4796 4725 6215 6353 5017 4898 4924 3876 4865 4850 5455 5176 5284 7414 7412 4320 3783 3721 4837 5846 6450 3114 6018 4274 4432 15884 16950 6237 4469 5285 5474 5535 32993 33361 6630 6789 6498 5076 5034 3525 6149 5506 HMDB00323 114.0794 114.0831@1.455 5209 114.0831 114.1506@4.0328636 30447 27794 25301 25017 12804 14089 19968 20794 15757 15616 20493 22673 15799 18280 15933 16800 13650 19830 17871 19309 18595 11673 14081 14469 16260 13952 14104 26167 25523 13873 14959 16844 12508 16346 15347 23149 23432 17432 16772 14320 14921 17616 19001 16801 14812 16969 13958 16385 13606 13099 15297 12085 12239 14529 13704 24978 25545 17354 17011 18371 17401 11397 14611 19971 21168 17910 17532 17746 19040 12188 11712 19926 19109 24550 16129 21630 17590 15471 25530 26023 25022 22055 26125 24148 18885 19301 23582 24786 114.1506 114.1506@4.075 1236 114.1506 114.9195@4.05 2748 114.9195 115.0394@5.4395 2776 3059 115.0394 115.0416@6.692 4039 115.0416 115.0454@1.0249165 4268 5321 10754 12509 15292 15960 3309 2677 6961 7306 16349 16115 115.0454 115.0462@6.684125 3129 2837 2646 2739 2194 3353 4170 3074 3455 2844 3476 3307 6794 5676 3807 3431 115.0462 115.0497@6.682333 2243 3623 4000 115.0497 115.0557@3.941 2742 115.0557 115.061@1.982 1332 16201 8525 115.061 C5 H9 N O2 26247 26359 20099 20693 29269 28531 15763 14379 6078 6145 30967 30923 3355 4886 4642 4529 3574 5554 5900 12170 11943 8557 7340 13493 14276 5426 4691 3714 4027 25916 25653 4069 4777 24818 8121 17330 11807 6754 7052 28478 27430 10494 10924 9912 11839 9268 9418 9997 9121 9380 10071 6155 7824 3338 14461 12427 15051 4142 14172 14263 115.0613 115.0626@1.7366666 10258 9695 5783 4134 1215 3487 20060 21015 5250 115.0626 115.063@2.3835 11937 9821 7607 36351 9955 7740 115.063 115.0633@2.3344998 2758 8158 115.0633 Proline + 1.2899779 3981 3931 4410 3524 2766 4511 4205 3541 3040 3367 3609 2221 3850 2575 3983 3954 4085 3913 5154 5263 8334 2395 2797 3150 3638 2704 4246 3638 3350 2254 4049 4738 3513 3939 3509 2330 3411 3380 3889 4728 3393 3437 3183 4096 4784 3901 HMDB00162 C00148 115.0634 115.0634@6.522 19963 2600 3862 2627 3204 4037 115.0634 Proline 473436 473296 316525 317235 677391 682994 625253 632468 951177 947011 546368 557633 558982 563443 668257 659020 869403 893433 364366 362469 763940 755205 385299 402026 508188 490302 914112 895406 599477 601080 497617 499293 290431 281207 499294 504240 461051 457380 665002 677050 779045 801251 453963 459436 410877 408975 594113 592395 567789 572319 605826 616623 419320 434190 369713 368065 510860 511475 483973 481130 353372 355987 553077 551805 934405 936107 425852 439763 626434 621359 856888 881235 466574 468979 543027 550182 488289 488552 626280 634931 435245 431586 464646 496423 498529 584889 569668 371281 364097 821901 807685 HMDB00162 C00148 115.0635 115.0641@1.5989166 5469 5236 4650 6786 6050 5209 11279 11087 3956 3668 2684 4432 115.0641 115.0868@5.213182 4624 4939 4620 5779 13594 13526 8810 7402 9279 9442 10795 115.0868 115.0956@5.2122 7333 7541 4299 3998 1867 115.0956 115.0986@5.585 7807 8496 5073 5225 3620 115.0986 C6 H13 N O + 5.70725 3864 3724 3772 4485 4413 7586 7739 4194 4985 4541 3846 3748 3214 5091 4286 4145 4976 5333 3068 4223 3925 3106 3847 2759 115.0992 C6 H13 N O 24529 24635 14091 14038 11643 12234 27728 28654 8346 8164 5157 3920 15923 16508 24299 24349 10799 10319 12428 10923 11409 12242 12327 11690 8907 9673 12185 12459 10591 8551 10146 9793 11114 12057 11999 11828 16864 16351 13860 14803 11244 10387 13865 15038 12201 9873 9405 10043 10533 10556 12206 12551 14358 11572 4955 6380 9901 10470 12145 12297 11086 11686 11670 12797 13363 11701 8255 7284 8271 6950 9927 11560 12600 12653 9130 9445 12356 12810 14010 7723 6981 12041 11760 12189 18258 19454 17514 17567 7106 7648 11786 13706 115.0994 115.0995@4.3597503 2993 3558 3756 4365 3230 3139 3732 3636 3123 3327 3175 3309 2236 3830 3468 3110 3284 3344 3450 2874 115.0995 115.0995@5.3864 2296 3457 6951 6856 3812 3153 2995 2791 3872 2912 115.0995 115.1532@6.29375 3894 5447 7158 8413 10293 5576 5641 17370 115.1532 116.0408@4.1914997 11425 13619 116.0408 116.0479@2.513 2077 116.0479 116.048@2.4755 5459 5971 3923 3547 3660 5141 116.048 116.0638@1.208 21297 116.0638 116.0726@1.221 18550 116.0726 116.083@1.2663333 1825 4174 2297 116.083 n-Hexanoic Acid 11633 5693 4807 5252 5462 4268 4611 5121 3936 8323 6503 5123 5984 5145 5308 5531 5792 5503 5722 7730 5904 5199 4997 5426 5705 3781 4165 5905 6998 10296 7284 7363 6597 7322 8531 5335 6134 6091 4986 5099 4658 5030 4713 5185 4196 4846 4743 6940 6311 5957 5703 4890 4512 5669 5787 5301 4669 5989 7637 78104 79185 4530 4996 4727 5051 4850 8817 14623 16606 7294 3975 6391 3713 6449 4889 5955 4349 6634 4377 5689 4729 5817 6263 5862 7846 8343 8255 29538 26457 6107 5193 C01585 116.0833 116.0833@1.3586668 11489 2985 4832 116.0833 117.0616@5.425 1512 2098 117.0616 117.0622@2.1785 5897 6112 117.0622 C5 H11 N O2 12803 12616 2919 10667 9453 3964 16567 20354 2260 3666 15346 2132 6576 5324 7602 4843 3491 3059 6254 2081 7995 8547 10003 5816 7625 3073 7612 2494 5027 11006 11122 8826 10928 8489 4912 8376 4290 3745 7097 4157 5722 10276 4007 16478 4998 6457 11284 11521 8421 9410 8521 6490 6930 4889 8274 7434 9569 2578 4044 5771 2234 9237 4826 1532 5874 4316 3308 12988 16352 13479 18458 17714 3432 3745 117.0778 117.0778@11.649874 4154 3779 3711 4078 4087 4259 4650 4263 3836 3782 4960 4222 3799 4004 4061 4358 117.0778 117.0778@10.902 4237 117.0778 117.0778@11.956599 5014 4627 4202 4299 4320 117.0778 117.0779@1.4705 2393 117.0779 117.0782@1.73375 8605 6133 12910 13422 7179 4409 5018 7009 4229 2448 2621 17751 1829 2935 12349 4873 13878 2419 2395 117.0782 117.0783@6.5653243 12963 69020 16776 22878 6571 17240 12755 13649 83882 52364 70493 83503 139590 74524 129727 12814 117282 7990 123057 86177 80952 49393 16844 55106 10455 81464 116675 10119 50723 70125 118786 25720 25542 24572 15994 26106 32782 117.0783 Valine 127421 126553 122766 122752 115883 119663 93931 101016 138528 141734 86952 88917 78441 101187 110759 105152 153186 144363 86405 86203 192876 193904 58688 58953 162172 176229 164187 166520 155435 143629 126417 129551 72345 71075 151399 144649 85414 92799 138941 133889 104739 113062 207101 172987 81379 87679 181391 190586 142352 154589 101648 61494 106563 121862 145890 135708 200830 199856 131392 126281 128427 126182 96049 86451 203466 200002 116525 112588 159010 154402 110885 110182 121725 133374 141722 144827 181430 182656 133349 139398 107801 15588 106559 164905 188517 116119 97829 84243 89795 109991 105589 C00183 117.0784 117.0784@6.7767687 5109 10602 74737 15622 12750 14895 13870 5048 181441 13738 14365 173263 20480 117.0784 isoamyl nitrite 16410 10774 9426 14752 5471 11133 10476 6291 10457 6567 9070 11345 10634 8393 13538 16584 7496 10293 11253 11348 12755 15924 12327 8637 12439 12405 8778 11894 10400 12749 12397 6998 14105 8565 13887 12466 10616 11718 4857 7253 10149 8956 12994 6204 9965 9791 8407 8279 8893 6832 4935 14705 8579 13316 13841 12802 9438 5308 13934 7963 8203 16180 15253 8402 5826 9435 13345 6824 7894 7857 9603 9047 4557 6538 9583 12706 5711 8662 8056 8500 HMDB02786 117.0788 isoamyl nitrite + 1.8073217 12844 13650 10735 10915 20580 22513 8795 10986 9485 10413 7595 11172 10946 10649 9065 18332 17638 10298 11087 9767 11304 13887 12168 22917 23789 1609 12606 4885 10939 12374 12007 11695 13566 12395 12388 10359 10081 7789 9076 6349 4231 9657 4386 10592 9931 7922 7889 5926 9997 14178 10013 9939 12897 11317 17986 16314 12179 12663 6353 7078 2379 8978 7720 8704 11792 11262 9661 9641 8768 3767 8398 7920 9305 5924 13560 15504 8470 11663 13511 7637 10674 45520 41899 13144 9569 7663 5887 8719 11693 HMDB02786 117.0788 Valine + 6.60313 3073078 3093364 3562347 3560843 2037898 2015791 3253736 3307579 5696371 5698691 2375531 2394977 3898306 3858605 3729928 3733900 3892192 3939588 4752074 4823106 5522491 5517203 6569305 6570115 3600373 3639403 4159094 4098062 5515475 5480057 3834466 3919315 2988988 2956984 3537023 3673376 2387969 2396198 4263254 4253931 4411144 4492740 2930519 3027034 4040313 4044008 4394397 4482205 3851368 4005091 6946291 6902144 3767693 3817850 4614708 4469053 3017107 3216298 3820088 3836098 2609060 2622593 3751043 3570053 4509304 4627597 4185985 4321804 3881507 3727970 3348046 3462378 3395742 3375738 4499304 4514199 5233894 5227412 3767640 3730421 4779288 4487497 4819203 5173404 5231005 3241605 3208123 2655384 2620737 5319520 5259802 C00183 117.0798 117.0814@6.6610003 160050 185873 117.0814 117.1085@1.813 6227 117.1085 117.1095@1.238 9703 117.1095 117.1107@6.6685 55947 81614 117.1107 117.1128@5.99125 34249 47909 36986 43133 55031 51898 35944 44651 117.1128 117.1137@13.123 3582 117.1137 117.1143@1.2373462 5041 4378 7538 8199 7547 5933 10170 6592 8370 5005 4991 7501 8990 7408 9927 10445 6025 5475 3945 2013 4548 6311 4586 7026 5013 5990 117.1143 117.1145@0.67366666 2602 9936 4998 7040 2137 6357 7391 5271 7471 11709 13470 8134 3530 10653 8598 9098 6722 4193 5690 8174 10002 117.1145 117.1146@0.81835717 3221 6306 4345 7842 5602 3431 4707 6257 15440 3036 7270 6796 5638 4364 3662 4158 2657 3225 7176 4335 5789 2145 2527 3359 3623 4378 2292 6818 2864 13338 5952 3980 3550 4224 14483 3769 3626 9261 6019 7231 18113 117.1146 117.1146@6.829 40818 117.1146 117.1146@0.86020005 2611 2705 3656 2889 3696 117.1146 117.1147@0.92335486 8678 2948 5369 6748 5602 3966 5041 5599 2782 6052 5118 4511 15926 6317 4399 5851 5071 2950 12299 3773 3021 6719 5693 7977 4674 10300 160622 2197 11824 10638 8805 117.1147 117.1147@0.951 4447 117.1147 117.1148@5.5076666 15293 17576 12908 16242 14165 11213 12101 18889 18218 117.1148 117.1148@6.577286 14282 15745 19394 19152 88920 13277 114173 117.1148 117.1149@5.54875 29261 16021 91844 15401 10155 42824 28884 15042 117.1149 117.115@6.292 26513 36865 27055 24522 32874 23466 13883 26971 50336 38868 117.115 117.115@6.377 21793 117.115 117.1152@5.8437 53876 46476 61096 11685 16737 35770 18610 51233 33675 9029 117.1152 117.1153@5.6615996 43159 65409 17240 69604 34970 38229 37452 44710 72915 31744 117.1153 117.1153@5.768 17463 117.1153 117.1154@5.077 19673 117.1154 C6 H15 N O + 5.212963 283100 506649 471417 574905 453160 571399 593303 515016 387349 487344 427655 371423 312337 304104 498381 527261 456878 487724 528274 542893 517630 522760 563386 448034 532447 457218 451220 508836 579721 466061 438030 421608 385964 449055 490157 524792 563466 571179 451989 468971 469651 444963 497872 504681 578257 585443 473774 519147 681184 513846 434334 418823 659788 117.1155 117.1156@4.5512505 55785 18347 54582 628084 117.1156 C6 H15 N O 1091234 1157436 649451 662278 783611 794186 618982 641032 577416 727773 720135 688251 714370 991816 619654 587636 511612 1293793 1336820 811398 810708 869852 704688 832360 856666 193630 784582 799675 125112 703705 729380 1135031 624454 1013830 601645 906711 875287 233256 855723 614864 827110 844048 729819 665077 613563 1132586 712567 713183 748150 766376 581424 576218 515728 496247 814251 830520 1076953 1067436 366861 370885 958645 933878 415868 415720 656825 469657 700101 680923 746654 748699 603123 783490 510896 547840 522463 872081 15297 751286 478352 492489 625410 617806 1013948 955719 1244654 1184783 540720 519299 117.1158 117.1159@4.959231 166881 582398 979505 507085 868999 1133139 965966 866542 1142794 651870 475785 169541 878067 117.1159 117.9019@6.603 1423 117.9019 117.9093@6.593 2064 117.9093 117.9262@6.611 2721 117.9262 117.9309@6.601 2140 3375 2444 1610 117.9309 117.9562@6.5909996 1616 2064 2704 117.9562 117.97@6.605 1578 117.97 117.9929@6.601 2694 117.9929 118.0014@6.594 3448 118.0014 118.0278@2.6377223 10017 3136 1626 4121 9402 9657 8419 2929 4004 4520 5103 4630 7127 3308 6717 5465 4801 4664 118.0278 118.028@2.6824284 7179 5495 9238 4968 4236 2798 2662 118.028 C9 H10 39666 42520 56379 56062 26837 24522 70275 72521 52559 53805 17252 22174 17184 17225 19582 19399 13786 13914 12712 10789 31035 32024 28192 27097 13545 12863 23938 25272 16198 15722 39309 34929 43080 43308 32780 33416 51888 53558 29341 28651 44743 44976 16655 15756 19578 20008 20529 20718 26616 24595 21840 21768 21806 22603 36332 38782 16124 16789 32525 32267 25191 25645 51585 52700 27967 27379 24665 23580 22318 21426 41003 44500 37516 16973 34081 33065 22231 14098 20939 13400 13596 17463 18378 17444 25533 24838 19064 22209 35615 35349 18445 19946 118.078 118.078@1.1103749 68503 70129 3955 7235 12615 1594 2066 21743 118.078 118.0802@6.0165 1784 1957 118.0802 118.0819@6.6708336 5437 4682 4751 2513 2697 13636 118.0819 118.1145@6.027 1724 118.1145 118.1156@6.566 2900 1949 2850 4493 118.1156 118.1178@6.451 2516 118.1178 118.1179@10.344 1175 118.1179 118.1181@7.114 1683 118.1181 118.1182@4.6384997 4843 27854 4353 4022 3075 49830 118.1182 118.1184@4.4389997 5503 12095 7658 5050 13167 40232 2690 2556 3431 4442 37397 11755 118.1184 118.1184@5.3977337 2584 4243 6592 8038 3438 4102 2165 1618 10728 5060 1721 2726 5641 17728 26248 10266 3638 4222 15815 9806 8796 3146 2500 5630 7113 2520 9863 23347 2941 10481 118.1184 118.1184@4.338333 11667 7727 4333 14907 10922 3583 9643 15347 7807 118.1184 118.1184@5.7404284 4897 5547 3367 7678 4135 6241 2082 118.1184 118.1184@5.9101996 1832 1866 1638 3522 3518 118.1184 118.1184@4.474 2833 3665 118.1184 118.1185@5.1713333 10100 2647 2679 17629 4208 8085 118.1185 118.1185@5.3840003 3057 3735 9433 118.1185 118.1185@4.752 13172 118.1185 118.1186@5.247 12852 118.1186 118.1187@4.434 5033 118.1187 118.1193@5.4 2247 118.1193 C7 H5 N O 9413 10410 7395 5724 11971 10866 24617 27582 8710 8673 5603 6828 14188 13385 5414 5795 7886 7888 6276 7079 4560 4519 5478 4946 14955 15278 7466 6880 3869 4415 9954 10057 5680 5818 9174 9549 9429 10025 11152 11295 4718 5267 5002 4757 7268 8112 5057 4588 5601 6007 4571 4397 6321 6410 4577 6726 6405 26817 25691 7672 8009 7448 7079 5155 5230 10621 11872 5085 5268 5412 10083 9739 11264 10826 10012 6886 7255 13957 13272 6552 8010 12760 14036 119.038 119.0409@2.532 3739 119.0409 119.0578@3.6148517 25019 29171 6441 23367 31098 13550 22606 18042 9997 11783 25072 26246 13960 8184 63514 8067 15988 22368 23774 11004 19915 20401 10577 26565 34256 4212 16035 119.0578 Homoserine 25712 46857 9625 126986 130421 36664 33318 41272 43475 17066 50320 49340 47159 108816 100398 25824 46496 21906 14195 35352 38158 11411 32337 29795 68062 12417 54916 19690 23554 26273 28350 72669 77404 43626 43897 61024 59703 48915 69052 49142 47922 43293 122803 42436 18481 73348 51233 50264 25660 14954 29175 33519 25305 19138 21812 67099 17129 20366 56497 11814 10519 61730 53659 6899 27551 C00263 119.0579 119.0582@3.961 2234 119.0582 119.0685@2.194 119.0685 119.0728@1.2938334 4371 4743 4809 6293 5400 5414 119.0728 119.0737@5.663541 6995 7305 5954 7711 8745 5016 6841 3749 10773 7545 8613 7864 4673 9312 8011 5417 5691 4778 4017 7189 6387 6148 8865 4612 11011 10875 9204 7899 5416 9806 11635 11008 10194 4292 7077 5973 6144 119.0737 119.0782@5.6823335 3657 4120 2502 119.0782 119.0807@1.107 3062 119.0807 119.0859@5.691 2519 119.0859 119.0869@5.7006664 2213 2876 3559 119.0869 Purine 400393 108213 539257 605870 133705 997084 281319 238574 513476 519327 552657 458173 136052 149725 540891 465153 231765 262749 464833 466350 153543 120456 435198 403815 421601 447305 159822 608811 1128905 1077282 1012144 491257 125084 357233 392254 138766 158515 178060 147830 558531 428473 347632 257424 319061 375074 439993 108179 207523 271909 264797 317556 265492 420919 438111 385914 164638 256133 279486 274027 459727 408716 397011 291085 386082 84324 601539 563131 252568 537348 553448 661098 490392 HMDB01366 C00465 120.0436 Purine + 1.0468682 151097 447259 501305 415868 455192 186976 105391 97373 279642 307148 362758 409998 401761 124043 137092 135156 336256 316927 96502 680250 679326 459320 556736 122664 264892 272958 130940 441690 214578 62896 499301 524694 977488 920563 466338 156294 171376 180131 196608 212971 205527 831456 453870 79488 137031 228006 227923 103250 99190 144051 842147 630881 HMDB01366 C00465 120.0436 120.0436@5.246 179217 48909 149603 120.0436 Purine + 0.8148545 276701 1293914 531654 520928 89432 438123 440270 492939 273083 465714 381387 462790 478923 460862 556242 667754 429020 448462 444752 452173 434648 331737 313065 431904 1252442 568723 514374 478038 522672 537166 489057 378834 501083 383461 483605 514838 540783 468632 477024 536559 602808 453660 416912 495826 489056 534697 382090 196910 361381 1003863 669862 866161 996730 946468 HMDB01366 C00465 120.0436 120.0436@1.1333333 101656 232378 69170 120.0436 120.0436@1.3105454 1008833 1059385 463496 611925 803492 968739 1061089 67144 461408 1016619 1044415 218268 763866 547753 656271 650298 800214 821966 803637 667935 682254 120.0436 120.0436@1.4204285 84161 46938 60086 75949 138808 388300 207353 120.0436 120.0436@1.6469474 437052 290999 636758 671860 470007 477107 664597 670649 336845 336370 325014 400617 365844 712285 672872 516529 710527 951238 959269 120.0436 120.0436@2.065125 57906 201081 215117 201431 285513 301863 122899 250843 120.0436 120.0436@2.1838334 281773 74807 239302 84478 265161 120.0436 120.0436@3.1054447 127350 529635 242966 301133 206182 177893 127433 529485 261404 120.0436 120.0436@3.565 141735 120.0436 120.0436@3.9806669 229340 242861 96325 120.0436 120.0436@4.1163 218352 118702 164458 133571 119561 186341 211242 243147 226344 215577 120.0436 120.0436@2.8323333 114080 568015 414751 120.0436 120.0436@6.5807505 70680 72042 60129 58879 120.0436 120.0436@0.67026675 715089 1498985 627653 287793 700091 891520 597239 1097644 701459 820676 1551235 795350 1593130 1554553 1410310 120.0436 120.0436@1.4793333 49133 173353 89608 120.0436 120.0436@1.5746666 84523 95097 100983 120.0436 120.0436@1.812 105020 86045 120.0436 120.0436@0.926 224942 120.0436 120.0436@1.865 134474 120.0436 120.0436@6.671 105718 120.0436 120.0436@1.173 59248 120.0436 120.0436@0.65 376480 120.0436 120.135@13.334 1856 120.135 120.1351@1.5644999 3266 3342 11179 3453 120.1351 120.1352@0.8342 14667 11175 12397 14201 14152 120.1352 120.1353@1.00559 4036 3575 2546 3765 4958 5461 2694 16024 13754 8993 8851 3881 4108 11995 3780 3814 10750 15311 5173 2807 5533 16842 13772 14687 4743 4291 18846 23081 5707 11545 8628 3785 3934 6806 6704 6662 3826 4318 5559 4521 14185 16151 4089 4505 3690 3792 13029 12126 5361 5217 7017 6058 8832 11464 4984 2224 13392 12449 7351 3056 6852 6846 2730 14852 13455 5898 3751 2591 4248 4109 3144 5296 6596 8691 9028 21440 28439 120.1353 120.1353@1.3866668 2185 2382 4819 12106 7487 7861 17989 6081 15831 120.1353 120.1353@1.6347144 17612 14889 10987 23130 23770 16229 17542 19061 19931 5849 12883 14610 15986 16403 13353 23379 26355 21617 44878 43300 120.1353 120.1353@1.88375 6938 4996 5741 8391 12633 4706 23580 27110 120.1353 120.1353@2.95125 6696 4093 14334 8242 120.1353 120.1353@3.0686667 10924 46420 8302 120.1353 120.1353@3.2156668 2569 15668 2015 120.1353 C4 H16 N4 11357 8685 16386 15271 17042 32837 10464 8483 15781 16822 14329 13859 7108 7482 17056 13994 11659 13721 16472 14729 15150 20822 21964 6757 8037 14122 11796 14083 13331 13097 14349 10520 9241 12851 16291 38652 34814 15480 17774 11667 6765 15425 14512 17427 15832 15684 17713 17030 1582 12272 12854 14950 17366 16511 15997 2841 2737 16921 17301 14603 15466 17827 13436 17763 19847 2800 1568 16023 15577 14236 16012 17687 11838 7099 10802 10280 23036 23280 23662 25112 19866 120.1354 120.1354@1.2970175 3860 26442 37358 27725 22746 28472 28973 11017 15881 26042 34195 30403 35769 3275 6870 2608 28684 8623 26556 26813 29968 22675 16163 7000 39452 31126 29745 7815 6547 7655 28143 36790 32178 23767 25889 30031 25416 7752 36846 37316 23387 29319 19615 28809 30308 27823 13376 4764 36540 37536 17154 35255 29871 32898 46208 53731 120.1354 120.1354@1.02725 1832 11611 7937 6613 120.1354 120.1354@2.876625 3049 1178 5318 5049 7168 19380 22391 37590 120.1354 120.1354@3.9334998 6028 10801 4050 6998 120.1354 120.1355@1.1754 4119 3298 3421 4019 2101 120.1355 120.1355@2.243 3989 11250 4776 120.1355 120.1355@3.97 4213 120.1355 120.1355@7.694 4519 120.1355 120.1356@0.9272999 14008 15039 18873 6290 3163 7288 7753 14877 18497 18668 15528 14515 10900 12103 14237 8196 7530 4387 3867 8185 8030 15079 13457 7371 7568 8348 13088 11435 27935 16933 120.1356 120.1357@0.6832593 32436 21401 17002 54417 17026 18468 14893 22483 27274 37668 24956 20337 24202 4029 23885 55076 38738 18815 54001 53223 10349 5943 56056 36736 22502 37494 56907 120.1357 120.1358@2.111 1760 3592 3777 5370 4256 2049 120.1358 120.1401@2.13 8315 120.1401 121.0489@0.8931428 23817 31248 13659 16455 22256 64015 4979 121.0489 121.049@1.279857 8195 18031 10826 12034 22941 16781 9522 121.049 121.0495@0.7357 20146 46572 32678 15354 23227 69010 23342 18273 29241 10730 121.0495 121.0505@1.625 121.0505 121.0507@1.373 8915 121.0507 121.0514@0.67733335 98946 33771 51533 121.0514 121.0519@4.892 2745 121.0519 121.0525@0.9203333 10704 58882 28461 121.0525 121.0535@3.162 24650 121.0535 121.0537@5.6 5011 121.0537 121.0548@1.631 13172 18559 58658 121.0548 121.0552@2.395 8737 121.0552 121.0552@1.2676667 20236 12916 24150 121.0552 121.0565@0.945 13970 48905 39211 29735 22764 20129 20192 36037 7117 121.0565 121.0579@3.67 13664 121.0579 121.0583@5.402 7031 121.0583 121.061@1.442 15726 121.061 121.0612@4.12 7194 121.0612 121.0632@3.8728 11919 19080 34778 30123 23468 121.0632 121.0636@7.268 17084 121.0636 121.0645@4.185 12975 121.0645 121.0647@6.565916 11902 11051 11108 9658 8912 8476 9131 8092 12883 7982 12912 9670 121.0647 121.0666@6.59264 15121 28054 18822 11993 11134 11213 10420 21757 19393 9008 11534 14869 13302 13357 13008 11353 9581 10936 14842 17234 21735 21248 18930 9982 10297 121.0666 121.0671@4.138727 15771 47943 30032 12390 17244 24821 21275 24226 31556 30912 7214 9483 48062 40171 41901 21043 24565 40844 19291 38661 12938 15173 28841 24284 32076 37233 40585 10002 39292 34581 25596 12934 35913 121.0671 121.0674@3.98425 27332 34543 27076 31160 121.0674 121.0675@2.8158333 18346 11352 15098 16580 25610 30329 121.0675 121.0685@7.2535 17665 8812 121.0685 121.0698@6.4640913 17655 17583 13974 10237 18813 17233 16710 15381 16319 8418 21910 11849 15118 17223 17146 13950 15673 14783 14748 14377 14614 14762 16093 8859 13334 13144 13498 12703 13213 17847 10398 14615 7757 121.0698 121.0703@2.035 28195 121.0703 C4 H11 N O3 27008 41118 14760 15963 25165 22619 50064 20625 23777 21455 18530 16421 15696 15976 17441 17325 16852 13744 12349 62713 15178 44705 26592 24598 15965 19292 25251 15113 15118 18146 12917 11834 11836 11742 14036 15242 64399 64054 73801 17374 16397 20588 25610 15956 13142 28457 14713 16663 14736 121.0707 121.0709@4.0065556 56228 34212 66092 19702 24727 6661 20408 27768 11551 121.0709 121.071@6.9264 9128 12824 11331 13465 38456 121.071 121.0712@5.327 26697 121.0712 121.0715@5.398 24213 121.0715 121.0716@6.6604996 43287 38780 31593 17537 43681 42495 22482 26707 121.0716 C4 H11 N O3 + 6.5848055 37529 37812 39846 36916 30379 29280 39927 35256 29710 31298 29064 25006 27193 29148 24416 29098 28789 26730 22329 25225 26442 25010 25450 26255 25719 24318 25489 28833 21903 22570 22586 23304 21709 21652 20796 18919 121.072 121.0721@4.173525 85692 93019 88424 98929 99440 39369 54536 78350 80804 54848 49444 49887 46935 47929 23024 46513 40238 33476 33325 54889 68264 84952 13779 80123 73594 75483 63318 30414 46064 27434 68519 66566 26140 28673 18929 27841 54040 22005 23217 59920 121.0721 121.0722@2.8082497 117566 52919 69647 77270 38955 38485 38338 84373 24871 28277 22246 22619 121.0722 121.0726@2.7675998 54707 12588 44987 23350 45811 121.0726 121.0726@6.3545 18940 40927 22817 19990 21199 17651 16539 18338 121.0726 121.0735@5.838667 69769 74493 82795 121.0735 121.081@4.799 6315 5909 121.081 121.9158@5.5688 10591 92777 80002 79514 12136 96103 12983 12011 9705 84677 121.9158 121.9166@5.5420547 91627 14054 86436 9168 95885 95823 9099 87386 88291 86224 94767 84271 96236 97724 8099 107617 87048 86860 101103 100004 109921 111459 113093 112188 103171 100255 89441 88574 88226 88294 108996 109106 77371 79779 98393 98781 97665 96004 94693 93997 90993 90051 86766 87431 91565 89894 88308 87872 88199 86010 100669 102567 91851 90224 97893 96120 93548 93441 109830 108881 94575 94655 89686 91560 99675 105161 94607 11765 94487 93928 88007 87273 99258 98488 83466 86667 95212 95323 96110 99825 99226 101718 101425 102452 105527 106142 97845 97190 99777 96479 100132 99387 121.9166 122.0442@0.6845 3771 4402 122.0442 Niacinamide 61847 61580 19977 65732 63320 67914 70921 54461 53893 69878 69725 86678 84010 48235 51008 75053 76232 44629 96421 95943 40833 40937 61869 63403 71643 72117 53143 53041 49362 48629 51363 50133 89058 88972 77126 78857 57337 56624 92610 92953 150259 149850 37817 37957 144251 146292 55845 54886 66216 65264 73971 72133 173865 177124 79604 79144 44096 44901 64079 65703 83337 82339 35080 35512 36335 36733 52389 53603 61637 33883 57357 40479 30676 74055 65512 61606 138982 136522 42429 42942 160556 160029 HMDB01406 C00153 122.0479 122.0512@1.6763334 6803 1275 12276 122.0512 122.0736@1.44 5390 122.0736 122.0745@2.834 5099 122.0745 122.0764@3.9213333 8129 3760 1966 122.0764 122.0787@2.7663333 3488 1697 5536 122.0787 122.0968@1.186 2477 122.0968 122.1009@1.196 3126 122.1009 122.1042@1.1810908 2631 1884 1520 2452 3035 3392 2943 2593 4413 3753 3240 122.1042 122.1084@1.078043 9358 9046 9694 8257 15285 15768 20207 18022 7662 10043 10753 15136 5059 14154 14622 14746 12792 8094 11276 11270 8688 7557 5172 5237 8292 8319 9701 9006 12108 10872 7020 11920 9335 9334 6985 7583 9024 9794 13542 12977 10729 14773 7031 8934 8795 9399 12308 8086 11722 10928 6668 6428 4914 4161 6723 7542 7387 15423 7107 6770 12543 11423 6376 6483 7880 7678 7206 8772 16979 8612 7381 7831 5664 7149 11345 11772 11533 7131 20471 12757 7521 5937 5553 6359 7861 8709 9319 9393 14426 14602 6853 6668 122.1084 122.1089@1.068 5427 122.1089 123.0313@3.411 3557 123.0313 123.0357@1.33 4816 4210 2485 3939 123.0357 123.0372@1.402 1345 123.0372 123.0434@1.4269999 8118 4948 4731 3915 4244 4539 5961 6868 6193 5524 10229 13250 2807 6562 7160 6030 123.0434 123.0731@5.607 6859 5825 123.0731 123.0748@1.461 7631 13666 123.0748 123.0752@2.8219998 22124 5982 17952 123.0752 123.0783@1.3986667 9056 10478 7900 123.0783 123.079@1.945 4644 123.079 123.079@0.7018 19568 20874 25096 30251 27087 123.079 123.079@3.0105 6021 5601 123.079 C6 H9 N3 18303 14311 15436 16793 18148 23336 15072 15236 22523 17402 21785 17279 16768 18282 16870 16619 17955 18834 18497 19577 20902 15797 11027 16168 25031 21610 19233 17430 18638 22278 22687 15694 19602 10760 22616 20845 15243 11893 24134 22167 15297 12544 24043 15170 21735 16172 13383 19873 28487 15674 15297 19253 25925 21149 25910 22760 19768 20108 22541 20280 17490 22804 19952 21180 22286 14526 25948 24181 11352 18335 15917 20112 20547 23442 20450 31436 12483 21783 21868 27224 15743 24414 14941 20383 23236 123.0791 123.0793@1.8824999 27303 5056 123.0793 123.0793@3.6449997 3650 3816 2944 2461 4536 14412 123.0793 123.0793@5.397 4384 123.0793 123.0794@4.0882726 25176 11365 40894 33843 36639 21129 15672 28920 3036 10846 39590 123.0794 123.0795@2.1165 16121 17955 123.0795 123.0795@4.3257504 18538 19482 16337 9313 23310 22514 11694 17083 123.0795 123.0795@3.962 4933 123.0795 123.0795@4.36 7392 123.0795 123.0795@4.399 8053 123.0795 123.0796@4.467 22242 123.0796 123.9149@5.5400553 15205 16228 13078 12726 14056 14034 13540 13053 12927 12947 14174 13886 14223 14217 15439 15749 12835 13413 14939 14730 16004 15438 16664 16014 14823 15074 13108 12144 13150 13076 15900 15872 13764 14335 14251 14423 14077 14664 13587 13892 13608 13698 12794 13576 12911 13239 12321 12287 12704 13243 14941 14554 13314 12940 14757 14483 13622 13785 15792 15127 13786 13759 13702 13894 15092 16467 14024 15100 14676 13185 13135 13444 14764 13800 13077 12735 13157 14240 13211 14682 14714 15056 14772 14638 15083 16124 13708 13451 14336 14918 14050 14396 123.9149 123.9975@6.4362497 9547 8859 3420 3450 123.9975 123.9978@5.228 2721 2602 123.9978 123.9979@5.2925 10743 10686 123.9979 123.9985@6.6835003 5652 6191 123.9985 Pyrazinoic acid 10017 8984 9070 8685 9626 9205 24185 24120 8603 8823 10683 10397 10543 10465 6020 6171 7258 7894 6875 6369 6180 5554 6561 6562 6118 6193 7949 8013 5808 5807 9864 6325 6228 6223 7068 6936 6329 6111 10399 10234 7612 7596 5236 5114 7795 7722 4549 5276 5781 6380 7024 6924 4781 4731 5111 5783 6229 5753 17163 18110 7363 7965 7462 6808 1973 5341 6939 6848 2436 4698 9921 10471 5128 5215 6448 6092 10525 10385 4953 4809 9167 10259 10094 8792 7958 12440 13235 7947 7975 9902 2722 124.0279 124.0282@2.511 4093 124.0282 124.0292@2.158 2913 2771 3020 6969 124.0292 124.053@0.754 29677 33456 124.053 124.0533@0.7532 25398 27187 7562 5402 11477 12112 18120 18909 16732 17013 124.0533 124.0616@0.7503333 3414 4662 4879 124.0616 124.0661@0.744 3007 124.0661 124.0672@1.2385 7266 7527 124.0672 124.069@1.3153999 5032 3947 1292 3932 9239 124.069 124.0694@0.935 2119 124.0694 124.0701@1.5753334 4356 1993 9439 2310 2616 2225 3316 3081 1407 124.0701 124.071@1.576 1319 7955 124.071 124.0713@0.69 3490 124.0713 124.0715@1.286 3463 2929 1724 124.0715 124.0754@1.2820001 1800 3334 124.0754 124.0795@1.211 1599 124.0795 124.0813@2.86525 1402 4641 1825 1321 124.0813 124.0818@3.0955 3679 1314 124.0818 124.0823@3.112 2936 124.0823 124.0832@3.3293998 2263 1713 2498 1772 3128 124.0832 124.0834@3.881 2669 2010 124.0834 124.0838@1.4398 9017 8681 14090 7758 8788 124.0838 124.0857@1.1736667 4513 5056 3529 124.0857 124.086@3.235667 2255 3236 1358 124.086 124.0862@3.8222501 3582 1863 4433 1949 2329 9327 7873 1810 124.0862 124.0876@3.4161115 3280 3522 2683 4001 2066 2485 3140 2988 9976 124.0876 124.0878@3.7268333 6936 2028 2173 1780 14387 2925 124.0878 124.0884@3.2079093 2903 1596 4139 2549 1630 1670 1733 1643 2847 2962 2599 124.0884 2,4-octadienal 2507 3375 4244 4059 2994 3295 15921 3723 1982 1607 3775 3641 1896 5315 2857 3891 3964 4181 4803 5174 2600 1393 2613 2090 4287 2879 4647 5946 4251 3208 3227 1593 2924 5775 6368 2811 2745 5480 4459 2460 6316 LMFA06000034 124.0888 124.0896@1.161 2325 124.0896 124.0916@2.9333334 2691 1989 2004 124.0916 124.0931@1.1654 2289 6450 6320 5972 124.0931 124.0934@4.0924 5662 4198 1533 2061 1821 124.0934 124.0942@4.115588 7364 4045 5608 3108 3183 2358 2652 4247 6897 8559 1779 1873 3703 3696 4074 3402 4516 124.0942 124.0962@2.8914204 3903 4294 11185 12093 14829 5960 4948 14789 13751 11989 10859 8397 9387 11430 16476 10804 17004 13683 6095 6916 5098 15876 2148 10037 11720 18018 8295 8688 20628 12444 12145 11303 7406 6365 12017 13424 4743 4163 13074 16600 26682 18669 8537 14152 7618 9032 15022 13210 13444 12876 6116 7641 9391 9629 12621 4488 11855 10864 13052 10671 8779 7207 16590 24966 22374 13701 13586 16674 13019 124.0962 124.0977@2.8848124 10227 14821 34036 28013 3349 12050 19540 12006 23105 21504 21985 22381 14099 13153 17914 25329 124.0977 124.099@2.605 4150 124.099 124.1203@1.0527142 2618 13101 19042 1676 4278 4933 4452 124.1203 Taurine 2804 2733 3687 3832 3065 3290 3702 3613 2924 3123 3699 3378 2687 10566 12067 3415 3308 3727 3287 3317 3285 3468 3531 3841 3881 2361 2551 3097 6051 5233 3964 4054 3682 4069 3435 2910 5662 6200 4368 3960 8093 8669 3260 3076 2634 2608 2854 2530 2706 2081 3345 2925 4054 4297 4281 4474 3123 2916 3394 3486 4823 4498 5016 3251 3450 3295 4324 4143 2524 3290 4842 4323 2549 3600 3853 HMDB00251 C00245 125.0148 125.0484@0.73579997 2721 3005 3259 2510 2811 125.0484 125.0584@2.172 8768 125.0584 125.0586@2.1365001 13248 5328 7547 6412 125.0586 125.0589@4.1280003 3821 3147 125.0589 125.0591@5.1095 2737 2874 125.0591 125.0608@2.823 3233 125.0608 125.0702@2.8109999 3427 4299 125.0702 125.08@1.276 4518 125.08 C7 H11 N O 13193 14401 4452 24712 23014 16994 15646 15560 14330 4999 18031 20028 12121 11381 8987 9046 8980 8857 9251 9190 8607 8536 14252 16694 11341 11256 18309 17761 12523 12294 7375 6792 12398 9132 17065 17213 15319 14897 11678 11484 8723 7172 15899 17420 9306 7599 14730 15814 9900 11339 4564 6174 9454 9175 5664 6589 6635 21815 21125 8219 9551 10152 10087 10023 10115 11461 12161 5621 5487 5474 8183 8826 17916 18483 16700 4425 8892 17203 17064 6514 6925 12956 12498 125.0832 C7 H11 N O + 2.8845005 163938 162909 124157 129202 163464 162376 310315 311675 96340 95743 144344 144180 121822 113329 75531 80016 90692 89290 120390 121083 112063 113489 67672 68475 63934 62379 38230 37272 9418 12694 163406 162308 100389 102367 125486 123552 90519 89155 160360 160811 118146 122320 74584 79398 132427 133853 74767 74560 131158 133412 226108 223619 105467 105051 100490 96192 84218 82111 162214 162696 151347 152168 65031 65830 93011 93451 136905 139294 30686 32274 235037 238620 81251 82820 137479 138392 248225 46886 252420 81127 81368 174947 175543 169885 200462 201035 183342 180079 147239 145369 143147 140557 125.0838 125.0838@2.9685 5477 3014 125.0838 125.0949@6.993 4058 125.0949 126.0298@1.975 2403 32955 126.0298 Hydroxyhydroquinone 43377 34047 57515 80442 62662 38257 37158 52085 28781 42668 58827 49635 44429 40347 42553 37541 40660 51966 41252 16737 58396 61794 36700 66067 44534 49830 56337 61880 43025 82863 49602 27214 35004 28531 42410 36139 32311 44603 33753 38276 49013 47535 44939 48556 50152 59024 57310 54079 47126 46246 36524 65682 21918 56544 37021 56251 75258 43156 51639 22347 57079 48140 63205 49716 87663 2957 6762 72235 61815 59867 23886 59408 7716 60583 126.0317 126.0317@2.672267 40102 48614 33923 61981 39708 33683 56820 21400 20641 46570 41668 52336 40920 69287 47104 40476 55846 57220 46166 47132 59621 63758 18728 29833 41269 53369 45640 94865 41390 21301 126.0317 Hydroxyhydroquinone + 2.737934 19441 19972 16737 52056 48507 56976 26318 4153 23745 17959 22381 27656 24674 23067 32825 32374 58056 59577 19085 38954 36909 33808 51130 20668 18294 43213 19908 37157 50791 55195 44122 18319 38779 29100 24432 48132 53680 46821 27720 21987 53732 48502 47540 51670 50350 21247 21494 27265 29273 50203 49145 24522 20445 55369 41923 55393 55474 12629 14649 68159 56375 126.0317 126.0318@0.99366665 3689 2945 2191 126.0318 126.0323@2.311 2717 126.0323 126.0337@0.74 3145 3687 126.0337 126.0399@1.532 3351 126.0399 126.0409@5.229 2158 2271 126.0409 126.0411@5.292 6878 6813 126.0411 126.0414@6.6885004 4122 4033 126.0414 126.0439@1.5328889 3732 4734 3532 6952 4552 5907 4845 4409 4489 4427 3786 6171 4520 3546 3268 3754 4270 3887 3841 3855 4200 4120 3381 5732 4628 4906 4648 126.0439 126.0457@1.559 2396 126.0457 C3 H6 N6 10575 10800 7473 6762 12653 12676 3667 3860 4547 4310 5505 9922 8243 3643 4350 10295 8525 13880 12433 5640 4430 3533 14784 15024 20511 21294 6092 4971 4338 3891 6205 6638 6734 5335 10492 9443 4935 4297 4745 5289 15359 14124 19775 19984 5051 5983 5422 4434 18861 18304 5633 5318 10658 11160 7439 8047 19983 19000 4603 5016 4104 5024 7075 5995 4939 5947 15009 16586 4755 5223 6738 7114 11246 11256 7586 7761 7557 7380 7570 8392 7309 126.0651 126.0811@4.632 2493 3227 126.0811 126.083@2.933 2971 126.083 126.0985@1.112 6883 126.0985 126.1026@1.1581666 4368 2695 3651 11755 11359 5189 126.1026 126.1399@1.0109999 2831 2673 126.1399 127.0615@2.8152854 4784 4408 4690 5569 5698 6659 3566 127.0615 127.0619@5.8322 4050 3914 2655 2835 2322 127.0619 127.0621@2.769 4809 127.0621 127.063@2.0603335 5820 3381 4580 127.063 D-1-Piperideine-2-carboxylic acid 4457 2839 6768 6541 2695 4030 4732 5348 5266 5118 5202 5151 5238 4300 3723 5055 4340 4280 2124 3781 4419 3626 4692 6076 6146 5751 4231 6663 7133 4237 4103 4184 3984 3320 3693 3240 HMDB01084 C01258 127.0635 127.0644@7.158 3825 3916 127.0644 C5 H9 N3 O 5761 7072 4175 4134 2684 5054 5314 3065 3474 3614 4221 3860 3122 3344 3551 3480 3501 3416 3512 3665 3045 3134 3441 3091 2747 7619 7531 4383 3497 5747 5260 3057 3595 3759 3592 3489 3883 8194 7855 5432 4982 3117 3112 127.0765 127.0765@3.8579998 11630 10263 5382 4918 127.0765 127.0981@1.6415714 4646 3639 5910 12016 3767 5952 3756 127.0981 127.099@2.27625 11746 10917 5868 5948 127.099 127.0991@2.2035 2342 3526 127.0991 127.0991@1.625 8418 127.0991 127.0995@1.0996666 4155 2172 5538 127.0995 128.0436@2.1545 4342 4049 128.0436 2-Oxo-4E-hexenoic acid 8670 9107 6349 6485 6041 7179 5929 7883 8430 7494 4558 6916 8573 10271 8981 8082 2774 11151 8563 7730 3672 5045 5113 9486 10481 8273 6963 7127 6483 12465 7177 6364 6433 7780 8066 10743 11671 14132 8810 5936 7795 3285 6059 9022 7882 13960 8538 8259 5254 6119 6683 5607 6667 8760 8651 4195 5090 6725 6507 6151 6210 5724 4417 7297 5165 10520 10396 5394 7350 7766 7807 7107 6236 6412 6427 6690 6481 6649 C06761 128.0464 128.0468@2.0445 7066 19130 3435 3795 2767 13426 128.0468 128.0471@3.1669998 7948 5321 128.0471 128.0473@1.1246666 10381 9568 8025 3718 3556 3108 3065 7837 6507 128.0473 128.0515@1.2405 9569 9502 128.0515 128.0575@2.3285387 3200 3564 3740 3976 5700 1257 5320 4894 8791 7794 2383 5124 5659 128.0575 128.0576@2.34 2828 128.0576 128.0577@1.2435714 5631 3779 4745 3386 2933 2962 2609 3681 4205 4761 3442 3594 4776 3320 128.0577 128.0577@1.919 128.0577 128.0581@7.242333 1965 3904 11363 128.0581 L-gamma-Cyano-gamma-aminobutyric acid 35452 34361 36438 39082 4351 4788 47833 50745 34246 34369 8670 8170 21876 22156 10873 11586 16050 16536 17506 18049 20252 19863 20180 19577 7912 7327 16749 17741 8061 10395 26816 25961 4463 4224 6048 6565 12014 13052 21499 23670 26506 27639 9978 9135 11895 12968 10968 12541 13920 13735 1775 5147 15352 5373 5318 4969 12458 13021 26844 28358 16144 15598 22505 21132 6472 6267 13452 13417 6647 6067 20006 20283 9402 10242 21665 20618 28929 27399 16394 15865 9332 10446 11870 22016 21756 20784 20482 12511 13762 19135 18419 128.0585 L-gamma-Cyano-gamma-aminobutyric acid + 1.2438003 4077 4785 5445 3107 3374 3808 3901 4502 5057 3234 2974 2566 2927 2763 3075 3998 3979 3003 2449 3812 3734 2955 3467 3315 3361 2983 3149 2627 3406 2808 3039 7582 8388 3066 2692 4106 3861 3625 3728 3771 3178 3567 3464 4043 3926 2721 3739 3038 3147 3362 3185 4623 4402 3252 2041 2209 2648 2939 4898 5411 5771 4967 4782 2849 3710 3946 3827 4289 3473 128.0589 128.0619@5.163 2332 128.0619 128.078@1.216 7170 5364 128.078 128.0827@2.992 11904 128.0827 128.0829@1.0545 10495 11146 128.0829 128.0831@1.1653334 18461 22350 5836 128.0831 128.0835@2.9285002 28567 16051 128.0835 128.0944@4.2469997 2963 2807 2479 128.0944 C6 H12 N2 O 14057 13445 7173 7711 1857 6271 6056 5891 3787 4030 14401 13290 7349 7268 3170 3119 5241 4961 13931 12270 14390 15410 8172 7719 3761 3697 8009 10601 17616 18010 20163 20874 6811 7096 11938 10729 15433 16138 3136 5653 5608 16509 16265 10692 9110 3825 4273 9885 9689 22002 23336 5408 6142 12848 13572 9104 9002 11485 12310 4622 4909 7708 7712 4480 3986 4531 4750 6088 6185 5866 3461 3675 4023 4614 3897 3826 128.0946 128.0949@4.81 3273 128.0949 128.0949@3.42 5262 128.0949 C7 H16 N2 6648 7171 4757 4235 2979 3611 5814 6152 7845 7461 5145 4919 5932 5329 4709 4410 6140 5929 10885 10478 11809 11198 5772 5787 13407 13224 15596 14703 7037 6166 14964 14373 12125 13517 4716 3851 12785 13681 3162 3081 2531 128.1311 Pyroglutamic acid 12119 9799 7499 7333 16092 17031 26559 25930 10372 10286 6574 7001 22184 21850 9190 8083 11546 11701 11577 11937 3286 3622 3471 4149 30243 30337 20412 20935 4264 3344 16078 15773 9139 8730 8360 7634 15388 15396 11952 11506 4065 4095 6670 6311 18909 20074 4779 5072 11158 10765 8469 8081 3334 3320 10663 11077 15599 15884 8162 8917 4927 5210 23653 23222 10328 10309 7189 7106 23487 23680 3288 3250 6981 7896 13113 11300 12922 11369 12288 12175 5033 4578 13309 14267 5836 5547 19371 19224 HMDB00267 C01879 129.0428 Pyroglutamic acid + 5.8255005 3740 4115 4010 3628 3379 3645 5483 5798 2678 3065 2764 2925 3888 3652 3477 3652 3525 3414 4426 4527 4738 5406 8548 6905 6548 6235 5441 5368 6260 5676 4273 4256 3049 3133 5025 4770 2985 2755 5512 5544 5103 5546 3786 3241 5059 5816 5066 4077 4534 5208 6901 6593 4240 4733 3291 3153 3894 4129 4310 4667 3013 2611 2391 2535 5002 5723 5833 5760 6831 6628 2761 2904 2950 3345 5550 4810 4934 5012 4866 15888 17977 6824 6810 6405 2789 3197 5413 5563 6385 4748 6094 7873 HMDB00267 C01879 129.0429 Pyroglutamic acid + 6.828353 12164 14093 15524 15319 13110 12071 13866 13919 17695 14641 20485 19788 12530 13188 12231 12321 16155 18643 16684 16984 13457 14528 5428 14736 19486 18510 24112 23482 18257 17283 23079 23352 17654 16829 14906 17761 12585 13409 16512 15321 20209 20501 15757 14623 14410 14711 17780 17534 19824 21459 27532 26018 13696 12514 12660 13460 11014 10893 6624 13300 11804 11944 17888 17648 19054 20044 15040 15968 15505 15452 20102 20554 16107 14065 22351 23449 21922 22691 15331 15750 16017 15989 19683 8051 10832 18613 18861 18997 16705 14372 14939 HMDB00267 C01879 129.0429 129.0436@6.865 2139 129.0436 129.0488@5.227 2181 129.0488 129.0488@6.6875 4647 4396 129.0488 129.0491@5.292 6806 6773 129.0491 C4 H7 N3 O2 24316 22436 19190 18393 7414 5687 115673 121732 14846 12594 12432 12753 14766 13425 8246 7038 10538 10128 12398 13517 6418 6872 10872 10794 9703 9349 10069 9679 6602 6479 21595 21119 5008 6268 6661 7545 13898 13530 17623 17351 11589 10771 6220 5832 11235 10826 7150 7211 8715 8251 5892 4545 6365 6828 5056 4968 7461 7122 28170 29100 6274 5825 9445 8742 6368 6257 11234 10697 6380 7125 20488 17598 5528 5525 8349 9867 32128 31525 4289 4682 13633 9808 11491 10554 10313 25864 25546 13094 13501 14237 12272 129.0541 129.0554@3.799 2304 129.0554 Isoquinoline 5006 5060 8495 8912 4595 6388 11935 12259 4251 3832 4517 4691 4567 3948 14413 13814 4366 4072 3695 4538 3727 4130 2718 2977 4410 4911 7563 8683 9214 8386 4393 4722 3800 3217 4920 4040 4999 4277 9097 7823 5141 5255 5177 4142 5175 5651 5476 6591 4019 4606 5491 5469 12805 13374 6661 6919 4015 3857 3390 3543 6184 7446 7924 8091 4594 5352 12070 11216 6505 6608 3203 3202 6530 6867 2601 5439 5771 3702 3499 3944 10897 11143 6469 5407 3210 2967 6909 7803 129.0581 129.0588@2.508417 3826 2924 2943 3762 5346 4202 7027 3398 2958 3027 3175 129.0588 129.0597@1.152 1615 129.0597 129.062@1.789 4512 3743 129.062 129.063@3.5563998 1592 4209 4444 4573 3808 129.063 129.0719@1.136 2985 129.0719 129.0758@2.0045 4750 4890 129.0758 129.0784@1.3634231 2079 3808 2459 3078 2548 1935 2940 3791 5755 8033 18383 16728 3866 2689 4524 2085 2660 3579 2968 4131 2314 2600 3012 3376 2215 2933 129.0784 129.0787@1.4645 4100 3356 129.0787 Vigabatrin 5797 5470 12626 12907 14997 16064 9622 10246 17482 19060 13428 14793 13160 13008 12542 13364 13842 15459 10357 12890 14607 14755 14777 15366 8474 9868 11912 9742 19653 17614 16304 16409 11772 12337 20266 19529 10069 10581 24222 22706 22043 22270 27181 26955 10954 11878 15244 13817 19593 20297 16830 14050 13384 14120 11090 10968 13462 14525 15268 14247 13620 13527 64186 68567 8626 10977 13841 11399 15852 15110 16000 16249 13197 11344 15252 15636 17154 15362 16802 12253 11668 23243 24522 20966 30906 30782 21890 21490 9295 9693 23453 27018 C07500 129.0789 129.0789@5.9764733 3082 3097 2922 5078 4421 4727 2948 3771 4093 3889 3698 4342 4221 3278 4572 3134 3965 4879 4582 129.0789 129.0791@3.9681666 5416 5723 2350 3571 3172 4943 5171 2936 3063 4113 3178 2548 129.0791 Vigabatrin + 6.2900124 52658 52373 9011 7060 9543 12142 136865 135702 16911 17656 18235 18216 213615 211402 205867 248948 207657 210039 112599 111625 16709 16563 21053 21079 175383 172170 38601 44789 8808 9348 16172 14165 11318 12471 39110 39194 25063 24511 11056 9417 43150 43069 18081 18114 23151 23256 20109 16420 139391 139415 104490 128367 28504 28672 17246 17192 65996 63190 77711 79959 128784 131606 77178 76928 16578 13905 6036 5018 74415 74733 13062 11116 51120 52558 90014 116125 84005 84216 50687 60722 58045 58110 61967 175866 181122 15516 15156 11853 13322 243746 242103 C07500 129.0792 129.1009@5.165 23591 129.1009 129.1013@5.271 2265 129.1013 129.1014@5.7515554 2667 2931 5516 5623 6196 6168 3268 2975 3087 129.1014 129.1022@5.0428004 545641 549431 1891880 1880055 808424 800526 3432701 3360211 3423007 3458318 160327 163414 1446655 1439609 1447632 129.1022 129.1477@6.2827272 9569 11615 11761 8266 10775 8044 7634 5952 5726 5934 8782 129.1477 129.1513@3.1910002 4859 5450 9497 3546 6010 129.1513 129.1513@0.919 23608 129.1513 129.1514@3.6985002 18425 7754 6193 6817 129.1514 129.1514@3.722 10778 129.1514 129.1514@3.247 5330 129.1514 129.1515@3.3694444 4422 4716 19231 10209 15647 6340 5181 4997 4301 129.1515 129.1516@3.5394287 5130 4903 9390 14746 13627 11431 53114 129.1516 129.1516@4.012375 9951 38799 24839 15683 43643 34018 26158 22050 129.1516 129.1516@5.208375 14545 9384 18861 9301 6537 9432 5654 4030 129.1516 129.1517@5.344455 12382 3596 4108 13480 7458 6007 7412 12404 7840 6370 9776 15807 5773 6275 11695 12926 4641 11955 4710 5152 7594 12727 129.1517 129.1517@2.585 7438 28180 31470 30709 4584 129.1517 129.1517@2.6705 12714 19509 12105 8174 129.1517 129.1517@4.0429997 14245 13763 129.1517 129.1517@4.2000003 38455 42591 28444 80584 103718 31097 129.1517 129.1517@1.26 43801 129.1517 129.1517@5.431 8158 129.1517 129.1517@2.598 10028 129.1517 129.1518@2.3873332 8509 5303 12169 6716 11909 10862 129.1518 129.1518@2.7415 7209 3056 129.1518 129.1518@4.31 63259 55086 4099 129.1518 129.1519@4.0535007 93612 38478 83866 150052 14453 317855 325834 115101 114669 130220 91206 29059 18578 23567 205015 193660 130570 27594 129.1519 129.8978@5.037 2148 129.8978 129.9305@5.044 2136 129.9305 130.0371@3.051 1587 130.0371 130.0391@0.837 5843 130.0391 130.041@5.608 2831 2261 2572 130.041 130.0421@3.094111 4278 9927 9130 8986 4109 4476 2648 5432 5698 130.0421 130.0421@3.128 6245 130.0421 130.0621@2.212 4623 130.0621 130.0629@2.2114615 7755 3137 7002 11037 11530 2565 7887 6968 4177 4229 6313 6266 5030 130.0629 130.0655@3.84 20965 24533 9431 9253 130.0655 130.0977@1.1978333 1672 2195 3046 1490 2641 2918 130.0977 130.1111@6.244828 6876 6824 9313 5842 4786 4084 6550 4569 4076 3861 4812 4786 3367 4692 4214 4398 3633 4612 3222 3402 4647 4121 5902 3768 4103 3797 4928 4694 6319 130.1111 130.1548@4.2433333 10893 2596 2534 130.1548 130.155@4.1888 2758 2047 11821 13274 4639 4649 3639 4032 7507 7171 130.155 130.9534@2.891 1755 130.9534 130.9537@3.589 6988 130.9537 130.9538@2.836 1856 130.9538 130.9538@0.733 2367 130.9538 130.9539@3.6683333 2106 5627 7339 130.9539 130.954@3.5213869 3805 36278 24112 13064 22172 10934 2631 10025 5102 5208 17588 20829 5896 3675 6093 31772 41530 26772 31699 33657 1666 15890 3387 3284 9251 4365 3891 6746 10132 9571 58279 6785 6991 3624 4302 16528 2862 7370 3881 7049 10997 8026 3970 3133 130.954 130.954@3.163 1598 130.954 130.954@3.3745 4465 2344 4072 13694 13213 2388 130.954 130.9541@3.868472 37669 31009 37162 25333 3548 7170 5149 54678 27705 17210 17137 14211 15653 4801 13526 31878 46005 3258 9488 10727 2953 10746 14253 2441 59797 59140 5588 6084 3152 3457 3071 2984 2739 12310 14876 19962 18757 2657 2702 17017 14669 2514 2761 3948 22042 17072 3644 8485 2138 2332 4395 3284 3083 2963 12905 10252 3457 3271 2956 19885 17299 10738 11805 2893 2423 12171 1595 4434 2326 3298 2128 3177 130.9541 130.9541@4.194158 84366 75037 24187 3007 4171 1982 4390 3670 38280 8673 2999 6478 9172 5869 8051 27755 31686 3223 4629 130.9541 130.9541@1.9136002 6403 1418 3277 6844 4450 6707 3524 3952 3695 5347 3850 3267 6320 2942 3617 1560 3267 3564 3963 4380 130.9541 130.9542@4.0652966 46713 104710 4162 3247 47381 5247 11885 6698 7715 5231 5276 6941 2538 40802 4539 3819 2645 4535 2712 11588 1497 4868 1683 4979 16850 24816 17262 2646 2859 3389 3020 7650 10003 2817 3788 2939 4592 5613 2727 12520 20202 5248 16029 19304 24116 1618 3797 5850 2220 7893 5665 1671 1638 3556 130.9542 130.9542@3.2726667 1486 1951 1950 130.9542 130.9543@5.424 2692 130.9543 130.9543@6.665 6463 130.9543 130.9544@1.264 3565 130.9544 130.9544@11.912 1411 130.9544 130.9545@0.664 2117 130.9545 130.9545@4.1616 2351 2505 7249 4565 1986 130.9545 130.9547@3.98 2886 130.9547 130.9547@1.9135001 2345 3224 130.9547 131.0354@1.9675 2351 3330 131.0354 C8 H5 N O 5407 5404 4985 5686 3415 5747 7959 7203 2146 2471 13039 9466 9616 10486 11113 9792 4631 4975 7216 6793 6622 6252 3950 2766 4037 3923 1840 3300 2977 3161 2990 3863 2804 5860 6962 6349 6016 6103 9032 4063 9275 13638 2354 2816 2771 2782 4645 4798 21169 20259 6648 7488 4880 6261 5973 5674 5920 6367 6686 2739 5854 6518 6463 8584 7733 7584 6809 4186 4998 2268 7830 7361 131.0369 131.0372@0.842 3448 131.0372 131.0376@1.1837273 2100 2427 3621 3372 2814 3162 1886 2336 2634 2362 2325 131.0376 131.0393@2.033 3784 131.0393 C5 H9 N O S 4122 4021 4751 6137 6170 3789 4470 3577 3726 3616 3629 3530 3846 6090 5748 3701 3381 3864 6120 5887 4129 4230 5695 5404 3107 3277 3499 8008 8337 3416 3319 3081 3049 3490 3653 4009 4058 3741 3095 3164 4169 4096 3024 131.0404 131.0408@1.457889 7759 6803 3886 4328 7457 5738 4682 5391 2583 131.0408 131.0431@2.023 131.0431 131.0575@2.0354998 2889 3554 3568 2406 8121 9155 131.0575 131.0588@2.149 1379 131.0588 131.0597@2.1 9698 10409 131.0597 131.0617@2.527 2786 131.0617 Creatine 51348 52223 63613 63544 304953 297888 63928 63092 69657 68967 258531 258808 51813 54222 104610 105700 111200 109479 92003 91213 101012 100918 69409 69981 166900 162607 164111 164377 206225 204460 132133 134748 111260 113301 113074 114822 108694 107931 61908 61019 76563 81094 125136 125766 101674 98873 72604 74376 126498 128968 338839 342084 181107 196693 121579 125007 71507 71330 155160 156515 207983 209231 64917 67263 314205 315460 112332 110810 136666 136500 91491 90795 150654 151613 72187 71150 198949 200758 114021 115383 92764 89854 98482 109751 113775 136219 132230 114142 111128 84868 85252 HMDB00064 C00300 131.0697 131.07@6.9814997 6757 3012 131.07 131.0759@7.255 3124 131.0759 131.094@1.6483332 1566 8292 2548 131.094 131.0941@1.5060526 19880 4955 22139 16564 27166 3159 2606 22917 3405 2902 15570 2539 3019 12500 4276 21568 18853 19982 23984 131.0941 131.0942@6.6510005 5951 6510 12030 13051 3181 2985 2628 2504 2946 5203 4932 3831 4164 2706 2967 1893 2969 3202 2633 2651 3093 4270 4250 8007 8089 3775 3251 3653 3129 3226 3936 4222 131.0942 Leucine 30515 32081 30024 29498 22626 22899 26528 28464 21895 23439 27758 7937 30196 5161 32407 35519 9272 27438 21667 19928 33309 34282 35444 9128 40514 42464 7837 30249 33610 33052 29805 28027 26765 25750 27336 27240 20817 29771 21487 21058 13914 28550 27126 23940 19714 20212 24352 24216 27295 27012 26556 35534 36237 35447 31880 31741 30356 29946 31702 32808 22320 22222 22439 21672 26790 26780 28644 30093 7055 20768 33851 8104 32513 31780 32160 32423 26862 20739 27479 6873 6400 25068 24480 24539 38376 35783 39753 40962 24818 24272 12334 36791 HMDB00687 C00123 131.0943 131.0943@5.9300003 1768 3862 4573 4625 6173 5597 4509 4047 5298 131.0943 Leucine + 4.3551145 8174 6764 4386 3996 4353 5121 3531 3979 3527 3760 6275 5116 4399 4383 5767 5600 4453 4183 8239 7371 4816 4677 5942 5212 4863 5685 3580 5215 5624 2969 4350 3859 5766 5534 5538 5803 4061 5072 3438 3787 3831 5031 5146 5266 5536 5054 5231 6242 4655 5055 4399 4314 4599 4825 4055 6269 6242 5991 5660 4131 3948 6578 5473 3474 3559 4220 4763 4167 5266 5197 5730 3901 5424 4932 3786 3668 3708 3915 3923 5452 4830 5300 6051 6316 6151 4779 4215 HMDB00687 C00123 131.0944 131.0945@7.957333 13751 14000 1849 131.0945 Leucine + 6.7406497 5287 4893 3028 2618 30308 32845 11343 11549 2896 3185 3942 3813 3418 3833 3149 2506 3847 4833 2889 28590 29900 4817 4643 6581 6811 3316 8092 8008 7933 6571 10064 9267 5541 5733 2893 3148 8723 9631 12031 12829 34334 33827 46166 43192 2248 12991 12665 5531 5435 4886 5840 3975 3825 3504 3057 4305 2396 3368 7058 7435 HMDB00687 C00123 131.0946 Isoleucine 132077 134875 84760 88714 90287 89618 104890 95655 121352 121685 91346 91426 89632 86533 86760 82760 148088 156518 73258 71022 210029 213034 69575 74278 194381 162276 163331 163091 119485 120851 98126 91750 73587 70586 120842 119425 72590 69861 111329 111593 97685 107223 217142 179876 85048 103155 120575 118273 152270 142224 145057 133102 133967 127136 115291 122838 183236 178881 136984 134034 99589 99724 89791 88739 171400 187839 114269 111618 155683 167601 114182 119128 128218 115258 138520 136562 139696 129187 151608 125067 115541 155637 146475 135159 149715 209378 113161 117876 79576 78443 93055 93390 C00407 131.0948 Leucine + 5.7213707 240884 239106 181357 184121 157167 152183 146956 158215 206689 212945 137186 140487 155588 153255 145878 144166 290087 282306 138995 137669 302849 307153 100178 99668 244719 273158 225701 223922 206706 208522 159396 169604 152130 145046 195685 203153 113993 116858 197793 198111 144749 142250 277571 324830 161314 146592 217851 222698 213729 219134 179788 189094 170685 182413 195904 192064 296071 297331 219636 221491 1188 212027 145797 144106 265428 262508 195433 202827 234572 215677 153272 160112 180310 189178 219085 208681 231102 246117 216236 208060 217786 190265 195300 201587 271164 226143 185955 179843 126888 107742 146637 143888 HMDB00687 C00123 131.0949 131.0949@5.8589997 6669 2476 3002 5248 207493 3553 131.0949 131.1664@6.9398746 4390 3894 3445 3675 2519 2602 4704 5027 1822 2448 3095 2588 4691 4605 2325 2282 131.1664 131.9799@3.689 13376 131.9799 132.0246@0.986 3093 132.0246 C5 H8 O2 S 16581 17638 17358 16138 13208 13376 11651 11097 20379 20577 16549 16958 13719 13606 11197 11467 19920 19926 11681 12198 26182 26202 10240 10902 19454 20273 18153 17238 16962 18694 19130 18642 14309 13351 19097 20228 11477 10955 17329 17797 14807 14490 17526 16944 11780 11512 12349 12611 17452 16763 31715 30762 15741 15748 14267 12793 16603 15995 14970 15669 12582 12173 14528 14758 18228 17810 18119 19754 18993 17186 17794 17666 16142 16516 21885 21947 17545 18319 17871 20735 21768 21067 17903 20183 18748 18525 17641 16588 17256 15160 12731 13586 132.0248 132.0252@2.8069284 3239 6735 6986 3082 3407 3176 3633 3219 4153 4099 4583 3227 3420 2516 132.0252 132.0452@0.7918 15588 1492 4899 4122 8987 3442 3670 3127 4405 18574 17037 3875 3141 19251 2221 3589 15566 8483 7776 22730 2274 3390 2854 4910 3427 132.0452 132.0609@1.09575 9871 13336 6447 11476 132.0609 132.065@1.128 2430 132.065 132.066@1.1072222 4967 7199 7089 5769 5164 5567 3217 7090 5259 132.066 132.0691@1.4863334 49671 55439 5763 132.0691 132.0691@1.566 59486 67363 132.0691 132.0718@1.6133333 7904 6598 6361 132.0718 132.0725@1.527857 12981 6823 5930 6116 2514 3024 4629 132.0725 D-Leucic acid + 1.7741078 4445 3441 4605 2599 3497 3881 5153 3705 2519 3417 4374 12529 10874 3648 5219 4152 7590 4966 5561 4224 3551 3539 3131 6666 12050 6377 4155 7030 7166 8824 3227 4106 2959 9090 9407 7568 6544 5622 5427 3535 3230 3905 3583 8106 12366 3205 5494 1781 5208 3135 6588 4259 7202 2725 3736 3856 3866 12501 9393 8139 5521 4433 3512 3530 HMDB00624 C03264 132.0783 132.0784@3.120875 1866 63566 65525 6746 6929 3690 5056 4724 132.0784 132.0785@2.1375556 8835 5802 12520 9763 4561 4056 6449 6520 2894 132.0785 132.0785@3.5153332 44925 36250 2280 6786 4729 5593 132.0785 132.0785@3.6566002 16426 16993 7436 3569 1246 132.0785 132.0787@2.706 6153 132.0787 132.0789@2.5945 14138 15998 6534 6352 132.0789 132.0789@3.9772503 7383 9937 3414 1422 132.0789 132.079@1.7390001 7224 4405 132.079 D-Leucic acid 5315 5958 3575 3855 4339 3482 7179 4504 3292 3247 2412 10727 4149 7463 4726 2900 5567 5356 6893 5928 5984 4916 5070 4970 4327 3396 3970 2440 1784 5480 4962 18392 16511 3513 4353 6854 6419 4854 22534 24880 3727 3383 3855 9958 9713 7035 7553 HMDB00624 C03264 132.0794 132.0794@1.209 2901 3388 132.0794 132.0795@5.9845 3665 4070 132.0795 132.0796@6.0690002 4474 3971 132.0796 132.0806@5.892 2816 132.0806 132.0892@2.271 3473 132.0892 132.0902@2.2150002 3961 3719 132.0902 132.0924@5.823 4777 132.0924 132.9519@12.231 1468 132.9519 132.952@3.352 4246 1890 132.952 132.9522@3.3994615 2504 3384 4219 7839 7955 3763 8649 2366 7407 7657 16113 3314 12673 132.9522 132.9523@3.7224002 2719 4228 12073 5103 5995 13150 8234 8584 6877 2027 5673 3413 9750 11923 15411 5974 6971 7361 2828 4682 7662 8753 6347 9945 6890 4130 9345 8626 3096 6771 132.9523 132.9524@4.103512 13310 14142 1189 2265 20536 5900 2459 3125 8091 8608 11523 6154 4282 4344 1810 2789 1421 23807 2544 5930 4548 3324 3625 9413 3463 4066 1552 3638 7490 4639 12332 6651 1730 21745 1444 1948 17727 4201 3748 3627 3910 12939 4600 132.9524 132.9525@3.8466 3554 3138 13671 7560 2508 132.9525 132.9526@4.214125 18067 4195 14015 2955 3064 2218 6463 5048 132.9526 132.9988@0.8 1661 132.9988 133.0238@3.949 2040 133.0238 4-Hydroxybenzyl cyanide 335590 331517 219468 224763 217150 221752 513185 525547 182805 188894 89818 94584 489241 497352 411653 404192 352931 350023 209827 209179 260606 253015 87544 81190 289218 289012 212033 213484 152640 148354 127744 124755 208576 211460 178884 172583 203780 201052 199674 202827 245730 251165 307818 299698 337581 335715 197664 196127 241324 245288 92088 88953 126992 132272 146950 145215 223949 215079 513251 526054 160391 159286 125796 127110 311773 320990 234798 237978 316921 310857 253941 264178 227878 225425 112976 118445 337932 232353 333107 87351 87476 334365 331361 322582 278061 278550 198075 197751 102029 95114 397650 399120 133.0528 133.0539@2.1785002 6431 4679 133.0539 133.0547@0.937 3972 133.0547 133.0559@1.2119999 2525 2501 133.0559 133.0593@1.216 4160 133.0593 133.0747@3.162 10564 19287 4024 133.0747 133.0759@3.1560001 10532 7462 6687 5646 11688 5576 133.0759 133.0896@1.208 12610 133.0896 Bis (2-hydroxypropyl) amine + 5.481559 29201 17800 42227 11155 39515 9417 9197 24536 7301 40600 78999 18555 20302 23169 6708 55292 38374 34534 52755 50475 49723 50907 40168 38247 39027 38381 37461 41868 12556 16722 14641 32972 9396 24966 45153 47484 8807 87666 8657 52817 53131 9019 50374 44738 43384 43466 42964 40393 44078 40409 60012 53210 53190 17374 7464 24055 49191 5103 47735 9254 66028 59890 77147 24682 18536 13059 28602 29927 20718 37668 29145 40102 46603 51284 51286 42367 42164 133.11 133.11@5.6021 28379 26495 28665 16582 41769 36395 30143 28473 7110 8300 29817 11238 17118 1971 22773 2993 9150 27651 21316 22766 7317 5063 24871 63195 14710 38993 114062 25152 45556 22686 133.11 133.11@6.675667 2939 6921 5542 133.11 Bis (2-hydroxypropyl) amine + 5.6003766 21942 39961 57489 26184 10442 50851 9041 31084 38425 75151 76247 18999 99585 65158 81438 90375 39378 95766 133397 151083 152144 166067 133325 132477 134973 147721 133616 160742 35829 27442 34102 18059 44869 3190 18198 80183 34837 20252 86116 86132 5486 90245 43832 24340 103080 25737 116787 114249 157281 159242 151604 140963 145104 172217 147058 155249 155557 149182 43573 99057 28320 17112 46569 38051 26362 34100 76267 11237 97088 34401 97440 40187 27656 103017 118049 120803 124545 115938 118548 119861 117790 94045 78872 112879 120165 150855 80587 167868 147872 114481 133.1101 133.1101@6.5477505 4991 5958 4033 4153 2246 3157 2522 5292 133.1101 133.1102@5.93375 2941 3443 20203 2637 25700 34704 2362 3441 133.1102 133.1102@6.1317143 6779 3896 4763 1930 3157 1904 3172 133.1102 133.1102@6.127 3587 133.1102 133.1102@2.933 202130 133.1102 133.1103@5.0237856 19991 19912 22337 5335 22749 2890 26396 11802 22446 8169 18617 26036 22347 22450 133.1103 133.1103@5.956 3129 3995 133.1103 133.1103@6.203 2907 133.1103 133.1103@4.9465 27001 33480 133.1103 Bis (2-hydroxypropyl) amine 83735 104060 81488 103845 100246 55671 103855 84643 100654 100895 102656 96596 103684 111756 103434 106557 105885 104715 106025 100035 109908 110296 72616 91633 108760 110608 111306 111331 115436 114838 101359 99890 100930 102257 103079 100368 113341 105142 99546 105884 103930 113416 105895 106050 110917 112433 108909 109161 110807 108127 115885 91218 92090 96650 108957 98089 113602 110596 108470 96436 101629 105654 102607 109695 101372 102069 86732 106763 103955 105198 111344 109455 119804 117186 112876 112457 113803 116155 111031 112390 116394 114417 113077 92120 90013 126686 118272 119127 93298 94321 86674 133.1104 133.1104@5.4156876 36457 13567 6605 65493 7802 9651 14024 38707 2958 14190 3597 14706 20177 4096 32053 51759 133.1104 133.1104@5.823834 5751 15577 2208 22420 19134 29675 4402 4876 2137 6056 7954 1424 133.1104 133.1494@0.78992635 6294 5808 3500 2776 3226 3326 11871 12691 3056 2034 10393 9395 7587 7913 6382 6299 3298 3021 4153 4178 4142 4883 3051 3595 3461 3069 2149 2359 3031 2568 2878 3164 3857 3964 4268 5161 6469 6073 2581 2254 3582 4051 3297 2721 10655 11125 4500 5258 3552 3824 5847 4658 3836 3101 3569 5597 2902 5303 5742 6119 4755 3490 4339 2795 2474 6793 7213 133.1494 133.9947@4.991 2877 3306 133.9947 133.9951@5.4232507 1939 3455 2202 4100 1953 3010 3110 3546 3890 1985 2194 4157 1886 2768 2362 2234 3361 3726 2302 2289 3008 2908 3120 2912 2686 3288 3390 3243 133.9951 134.0384@3.0895 10967 14438 21468 18344 134.0384 134.0406@1.141 5692 5078 134.0406 134.0426@3.112 4782 5064 134.0426 134.0578@2.4761999 6309 6192 4025 3650 3736 134.0578 134.0606@1.126 3250 134.0606 134.0666@1.107 6167 134.0666 134.0704@1.1071428 4217 2552 3275 2583 5492 5507 6333 3187 5925 3035 5147 4414 7374 134.0704 Phenylmethyl methyl ketone 10381 6043 14005 13327 7209 5712 16019 17019 11070 11912 4374 4409 6218 6698 5134 4827 3347 3335 2550 5568 8252 5842 6657 2237 3665 5721 5958 9545 9218 11695 9717 7540 8042 14854 13111 8665 4795 10724 11662 4833 4372 3651 4792 5173 4550 4719 5645 7606 6114 8513 8681 5611 5701 8084 8504 5615 6814 12327 12200 5433 5647 4984 5352 10232 1365 8536 8628 7291 8820 7924 6915 4481 8988 9799 4971 134.0742 134.0742@1.1015 4228 8469 134.0742 134.0909@1.309 4119 5009 4648 3036 134.0909 134.094@1.366 5730 134.094 134.0947@1.2457142 5545 12937 3872 6433 4342 15950 3902 134.0947 C6 H14 O3 31302 29420 12128 12925 11758 14222 13749 5763 8511 9406 14997 14912 7794 9424 11174 11877 7892 8564 9342 11340 11629 6636 11379 11199 6063 5543 5392 6113 8818 9747 2937 9733 5412 7038 18748 17014 10579 13596 16562 4274 5343 9014 9225 12666 13479 9763 9940 14442 10450 7963 8742 8275 9528 10735 7787 10161 11405 3858 12800 20975 12984 10019 9394 16330 15743 7262 4206 12221 44453 10107 12185 18238 17203 7947 14122 9515 5337 9015 7624 9272 19725 25626 5447 11827 23256 22519 23697 21120 12905 14074 134.0951 134.0988@1.1856 5492 16172 7373 4667 7617 134.0988 C5 H14 N2 O2 11577 2582 2093 5061 5706 3498 2924 20793 3300 5801 14206 32348 32445 10536 22170 16176 29138 15974 3521 3257 11288 12030 10132 17645 3680 3475 14113 27976 4305 14624 22770 28009 11340 12394 3111 34466 20016 14130 4447 3599 19650 134.1051 134.1065@1.0557144 19193 3493 3875 6370 38597 40297 38061 3767 2563 31924 4899 25826 14262 3368 2366 31676 30650 17744 3872 2133 34947 4177 20745 2064 6385 52867 21873 8285 134.1065 134.1071@1.3665 6214 6766 134.1071 134.1131@4.869 4681 134.1131 134.1134@5.5785 3602 7788 2926 11388 134.1134 135.0149@1.1087856 5148 5002 17496 17150 3413 3473 2166 2219 3662 3516 2870 2710 2873 3147 135.0149 135.0163@2.249 2258 3988 135.0163 C7 H5 N O2 293826 331631 380377 379812 619008 614869 1052859 744787 711815 721404 132862 123947 362628 364940 287630 309288 205839 203554 614028 622100 365309 368282 215759 212290 270329 268090 412479 408429 376474 376003 752340 762639 421322 413055 229262 233127 289949 289828 581476 586489 207853 208716 306438 313658 382017 378259 287981 284769 241881 256144 253622 258739 280013 280999 425094 413156 185178 179117 886346 931522 932815 938135 537000 541708 219160 207611 446290 444528 182662 192748 303184 314106 221465 219882 264004 258265 965546 219077 950938 226422 224291 433657 432101 429205 1063527 1062305 682789 682966 302493 311075 405699 405874 135.0323 135.0324@2.424 77842 135.0324 135.0329@2.4405 4504 3638 135.0329 135.0414@4.2192855 3791 8552 8144 7369 12658 5227 464282 135.0414 C6 H5 N3 O 2979 4120 3497 11148 2970 3102 4581 4267 11570 10810 3748 4212 6140 6365 6724 7505 6041 5482 5866 5986 5401 4934 8814 8799 7829 9780 9992 10376 6452 6999 5533 4775 5491 5648 5774 5681 3907 4544 5253 5408 6985 7054 5726 6284 5219 5759 7330 7828 13188 14919 10444 10475 7947 6082 5811 6077 10291 9115 9323 9629 4601 4362 10572 11433 6516 6508 8264 6498 6744 5698 7925 8908 4988 5705 9798 8367 7055 6607 6376 4218 4762 5308 6332 6205 6101 5568 5890 3641 4635 135.0422 135.044@5.292 2885 135.044 Adenine 5386 5909 5184 4609 5537 6208 5503 7829 6525 2152 7094 8332 5996 6205 9251 8177 5528 6773 5732 4593 5946 6795 6397 8439 6609 7449 8036 6910 7263 9428 7447 7081 8088 8870 6837 6750 2961 4814 5189 6903 6838 7470 7738 5024 5685 5935 7274 7115 8677 9812 7860 8900 8302 8294 8628 8824 10580 3811 5296 4833 4121 HMDB00034 C00147 135.0547 135.0565@3.4795 2881 3469 135.0565 135.0674@1.5409999 3016 2797 135.0674 135.0674@2.178923 9038 9818 8327 15041 3296 3470 4373 9372 7003 3337 11117 14571 135.0674 135.0674@2.2466667 2295 5001 5583 135.0674 135.0681@1.2939001 8476 10210 11783 11821 4052 5061 18091 20055 14269 15314 135.0681 N-Acetylarylamine 4694 3934 4008 4095 4250 4743 3885 4030 3463 3878 3291 3331 2855 2967 3642 4122 2938 2983 4750 5020 2665 3039 3478 3899 4394 4493 3282 3683 3873 3593 3741 3845 4705 3097 3128 3733 4067 3040 3305 4513 4621 3318 3605 3909 3820 5071 5381 5430 5666 3311 3223 2493 2849 3041 2886 2721 2966 2760 3395 3015 4446 4279 3430 3837 4003 4505 2834 3369 3283 3871 3849 3563 3288 3493 4426 3514 4069 3560 4208 4562 4309 3903 4510 3205 3115 2883 3827 HMDB01250 C02558 135.0682 135.0901@1.216 3840 135.0901 135.1307@2.3583999 5851 1562 3908 4831 3997 5158 4471 4443 5739 3866 135.1307 135.1388@4.0342727 7082 8259 6494 5818 13484 13999 4900 4987 5488 4654 7427 7873 5827 5030 6571 6824 5298 5259 8388 7601 8119 8569 3425 2963 6237 6493 5901 5998 6698 7519 4338 3661 4065 4035 4459 6136 6080 6865 6739 4090 6187 7556 7463 6764 6459 6058 5071 5945 6193 6748 6753 4442 5359 6379 6813 14151 13772 5442 5482 5084 5248 3824 3794 6525 5401 5075 5324 6617 7331 3681 4793 7498 7553 11123 11005 6755 7092 12943 7975 8106 8040 8503 9521 10488 6784 7340 10842 11399 135.1388 Hypoxanthine + 2.7105587 559634 490504 377746 376920 101136 81837 292645 252373 377220 340907 122384 117187 308563 287587 607056 149860 164636 1352221 1380560 124051 169639 5580 17012 39731 895428 12713 395076 376377 3888 4759 44557 20237 124954 119529 294434 268276 13171 23697 678226 587201 2022 18831 180517 247994 349692 338549 477972 584162 522148 223909 190301 212477 190071 257470 949060 891883 303380 322616 672135 780960 29516 23168 6080 572154 603469 4028 155529 185498 HMDB00157 C00262 136.0388 Hypoxanthine 275528 331069 338947 340363 17801 13919 205498 189030 420330 460199 145699 174492 99788 107020 453257 454419 286206 884411 220334 202526 974649 920352 418511 382271 26065 28391 30740 11907 6379 6147 261833 1141756 438383 429469 579237 582110 569569 561046 359090 366325 13755 23562 327480 322432 142327 141566 122597 128183 23475 50950 797978 853316 21375 12903 426795 365314 328477 334604 2033399 1588992 1279841 1364778 364665 387932 755714 754265 280514 298739 117163 382110 797168 835177 1029916 1060885 106805 91617 945915 530785 856199 28855 35160 1155275 1226763 1180506 972071 926423 513435 491127 366386 368906 101637 117132 HMDB00157 C00262 136.039 136.0397@2.8061178 3125 5802 4386 7171 6706 2124 2943 6123 8237 4660 7630 3312 14047 9643 5356 12518 2959 136.0397 136.041@2.2903848 4321 3327 3100 2253 4669 2836 2953 3321 10958 2133 3319 5072 5384 136.041 136.0441@2.8309999 2655 4132 136.0441 136.0443@4.117 3460 136.0443 136.0446@2.2913332 3660 3774 2968 2562 1553 2083 2414 3234 2221 136.0446 136.0525@0.72849995 4438 4811 4160 4337 5803 5539 136.0525 136.0561@1.901 5737 136.0561 136.0569@1.8280001 8066 5703 136.0569 136.0619@5.848208 4548 4171 4703 4867 2930 4690 4096 3551 2870 3003 4140 4020 3735 16667 2772 2650 4629 5476 3447 2763 3339 2798 2541 2775 136.0619 n-methylnicotinamide 3367 2433 18064 18863 6856 6727 6709 12533 4047 3410 2546 6243 7134 6670 2190 3238 4014 4392 4787 6160 5157 12125 3856 2849 5721 1704 9750 2919 3549 6630 4137 3150 10782 8914 2348 10239 8711 8833 6402 8482 3886 12374 4396 4510 7300 4399 6364 3468 3090 4762 2960 2414 7029 5640 2428 5741 4590 4776 7984 2819 12853 4383 6489 6156 3624 10082 4838 10866 136.0635 136.0635@1.4001666 11251 2842 5394 8815 5016 4088 7915 6106 3674 13969 2080 5683 10541 14000 2380 6667 9865 1896 10471 13272 10149 15393 16435 8620 13059 14209 12934 2282 4171 6723 2739 12448 16049 2843 11621 136.0635 136.0637@1.576 8823 136.0637 n-methylnicotinamide + 6.0330334 80238 80349 31074 31724 85211 87995 64933 65759 79419 82822 23893 23535 63558 62080 144618 143814 61389 61685 78833 86080 66937 65834 31792 31292 69534 72627 41488 38921 70261 70414 107174 105951 95906 94550 48446 48184 46448 45205 87887 88116 39723 41310 76637 77473 67619 67166 114533 111944 39806 40066 63650 64165 44755 46686 117626 114974 60540 61558 80957 66887 89798 93457 89098 90288 66895 68283 33813 33433 48315 47436 33938 34358 43318 42964 49672 49464 88755 89729 124024 124266 44852 44779 45778 515026 518499 64724 64469 65743 64294 111281 109537 136.0638 136.0639@1.511 3839 136.0639 136.0642@1.2841429 22151 4510 5045 7232 8386 2985 136.0642 136.0649@1.651 4227 4374 136.0649 136.0678@1.2147 2043 7292 3841 2229 3097 3475 1605 12539 3318 3779 136.0678 136.0708@1.2105 2534 2460 2045 2528 3375 12668 136.0708 136.0755@4.24975 5121 4503 3752 3112 136.0755 136.0789@1.205 1040 136.0789 136.083@1.215 9678 136.083 136.0883@1.212 4694 136.0883 136.0935@1.208 4375 136.0935 136.0974@1.214 1133 136.0974 136.1213@1.208 4466 136.1213 136.1221@1.0725294 4255 5299 3806 4208 6302 3401 3896 4495 4536 4887 5893 3550 4520 22395 5562 4274 3038 136.1221 136.1362@2.702643 11934 9699 5112 5717 5342 5791 5031 12056 6863 6815 3597 6281 5661 3713 136.1362 136.1366@2.6558867 5619 7076 6905 6812 8549 13573 2634 3142 8844 9459 6029 18715 4543 3579 9057 9358 27203 28323 10217 9341 9594 10962 7990 10124 5147 5773 4099 6349 6484 7179 6921 6281 6339 12577 6769 6997 13876 14598 4939 4956 5840 5902 21705 23017 6227 6866 19023 15098 14345 10133 9785 5719 4641 136.1366 136.1622@6.027 2191 12443 12381 136.1622 136.1734@2.712 1654 136.1734 136.1767@2.6612222 5292 7686 3000 3949 3695 5087 4943 2724 2371 136.1767 137.0413@2.6924999 17852 12713 7195 7394 4273 17182 137.0413 137.0432@2.7705 1606 2315 137.0432 137.0447@2.0005 3320 4372 3899 3400 137.0447 137.0472@5.434 12072 4429 137.0472 137.0478@6.7086663 3228 20859 3513 4194 6389 7768 6706 3805 3566 137.0478 p-Aminobenzoic acid 188616 191687 49745 50941 287448 284810 354273 336304 306748 312333 32148 32450 171810 178526 249099 248011 84287 83033 104369 103013 208037 208945 50473 51104 131141 131208 418888 416300 63221 63659 388919 389383 77105 75515 13357 16613 130827 130825 177180 176368 306955 310815 62578 62195 126895 124612 320546 321531 88945 87455 408865 408937 183941 188811 149024 158770 137831 137808 75993 75693 6780 6046 624088 626292 89720 91195 48203 54376 153888 152450 40329 41442 37686 37158 15950 15619 18924 19153 147514 149582 138406 134998 140785 31930 31492 531113 516260 97153 97034 222684 218403 HMDB01392 C00568 137.048 137.0481@5.485 2158 137.0481 137.0492@3.1382 5078 4615 3080 3487 3909 137.0492 Isoniazid 16102 18449 7667 5839 15544 13391 2569 2694 11150 12227 8842 7743 13514 12181 10284 6285 19208 17356 7916 8585 5118 5315 5676 7480 6696 6230 6946 7780 13167 16316 15505 14541 3758 2945 12231 16388 6022 6240 11207 9958 10365 8927 32536 26235 2564 3237 3567 4019 14069 11960 2995 2565 8457 8722 13780 17816 10688 8589 9711 13413 15488 3223 2655 3947 5021 C07054 137.0592 137.0612@1.41275 8211 5639 4827 137.0612 137.0625@1.4166468 4932 3163 1817 4368 2391 4884 5827 2237 5105 5525 4004 6993 2959 5340 5257 3043 137.0625 137.0625@1.482 3829 137.0625 137.0725@1.208 2926 137.0725 137.081@1.4805 4368 2416 137.081 137.0817@1.214 2811 137.0817 137.0844@3.0955 4670 2014 8737 9031 6103 5828 137.0844 137.0848@0.89400005 4846 6009 6553 7062 137.0848 137.0854@1.2120625 5988 3636 4321 4717 2843 3869 5414 4698 4520 4251 3079 3877 3792 1950 2893 2124 137.0854 137.1473@6.6838145 2621 3908 4899 6651 6775 5054 5231 1781 2112 3882 3562 2503 7604 7901 7413 7256 4524 4785 5263 4062 6576 7503 1491 12920 11031 9753 2485 137.1473 138.0233@3.8404999 17998 18249 5265 5643 138.0233 138.0433@2.651762 10627 3130 12173 16011 19901 20591 14841 10747 28266 28562 28325 19336 32747 26526 26266 32349 441381 505879 404811 477418 20820 138.0433 Urocanic acid 8371 8018 13537 13607 9943 8832 79306 79151 13222 13704 7813 7527 7710 7635 18576 18554 16620 15525 19697 20044 19761 22018 27308 26329 14427 13721 12699 12990 26248 26381 37369 39163 32109 28317 6198 6412 13122 14575 13059 13470 7760 7067 8567 8478 9635 10062 11484 11716 11906 11478 14073 11512 7854 7183 4841 4828 20914 20889 14109 15683 16149 15019 40148 42510 17430 17506 36217 35024 111683 110049 15867 16093 7883 7651 10493 10599 39131 22874 37404 29472 30232 28981 16012 17428 38192 35616 29869 29138 10154 9702 HMDB00301 C00785 138.0434 138.0434@2.431 10689 13919 4648 9806 5634 4997 138.0434 138.0435@2.3794444 2533 10272 7484 7073 4303 13426 4513 5030 8438 138.0435 138.0438@2.7586668 2992 7709 386782 138.0438 138.0441@3.2917058 4831 3849 4471 4847 3560 3581 4838 5165 7292 7245 4460 7341 3945 4513 6771 6885 2997 138.0441 Urocanic acid + 2.856702 5271 5552 3075 3840 12929 13192 5434 5141 7837 7063 5264 5200 6289 6627 4917 4252 4190 6216 5914 6620 12921 4641 1951 3601 3635 4457 6224 6289 7321 7919 4008 4288 16158 4621 5753 12751 6054 27564 295428 7564 7304 7333 6423 6340 5522 4687 5592 HMDB00301 C00785 138.0449 138.0477@1.668 438996 438633 138.0477 138.055@0.8885 4098 3931 138.055 138.0616@2.157 5294 5523 138.0616 138.0657@1.212 3973 138.0657 138.0691@1.2121578 20992 23976 23155 22189 18877 19824 5515 3335 2738 30550 31913 17069 3405 4523 23955 6917 8602 3179 15793 138.0691 138.0747@1.2105 1533 5081 138.0747 138.0797@1.145 5222 138.0797 138.09@1.208 7129 138.09 138.1074@1.0517143 3343 3194 4820 2500 2659 3983 5278 138.1074 138.1415@2.684 7456 9250 8379 4191 138.1415 138.1423@2.637 8863 11275 138.1423 138.1468@1.668 8338 8172 138.1468 139.0607@6.8475 2886 2703 139.0607 139.0608@6.2304997 32236 26676 21731 4725 139.0608 139.0629@6.136933 3991 4695 3361 4074 6882 6053 3981 4203 19380 2662 3074 2685 3718 4689 5228 3112 2922 2653 3330 3538 3404 4529 2071 2910 3512 3905 2617 3642 3540 3114 139.0629 139.0633@0.889 5009 7559 139.0633 139.0634@3.3725 7409 7555 139.0634 139.064@1.491 17819 16322 5689 6900 139.064 139.0642@3.727 3894 139.0642 139.0642@1.8975 4860 4883 139.0642 139.0745@4.3215 8722 8473 139.0745 139.0747@3.0133333 15245 14115 10734 8267 15579 10476 139.0747 139.0984@1.6455518 7182 6918 9927 8377 5480 5768 9683 10667 5706 6092 8829 25085 24354 6771 5508 12158 11308 6958 6851 8540 7668 2238 5006 14390 23943 29620 31775 31815 33218 139.0984 139.0993@1.707 8309 139.0993 139.0995@1.218786 3347 3388 1833 3561 4005 4502 4809 2580 2675 3597 3711 11999 12104 2490 2484 2276 5003 5133 36594 33999 4123 3720 11453 8527 2875 2533 4079 4212 139.0995 140.003@3.5365 10787 10641 140.003 C4 H4 N4 O2 + 2.0934477 4114 12724 15629 16040 14472 15869 13421 7661 10753 13274 5390 3103 10803 7054 5979 5685 13771 24225 21335 10124 12371 22759 11947 7406 13535 5954 11691 17276 10129 12774 7507 9835 6559 21744 15625 13681 14051 18027 23789 8193 5563 20696 4665 15583 15882 12875 15722 4981 5412 3365 4093 7252 6862 15557 7832 9030 8762 9210 3459 7816 18854 8156 3488 4830 7390 16235 10623 9609 13415 9397 6447 17021 7165 16666 6407 140.0335 C4 H4 N4 O2 + 2.1565332 13010 12409 10144 12510 3772 10419 6217 5061 9413 8529 8074 2676 8172 2471 2073 9006 3478 4886 7648 10207 14561 8226 7079 6196 2091 9455 3807 3118 6485 4754 5069 6365 18878 10433 4529 5697 3204 6588 3543 9733 6361 3542 4434 4802 3367 140.0335 C4 H4 N4 O2 32165 34763 34992 36247 42022 41077 37748 37895 41893 42807 36573 36464 34009 32082 41463 44233 41392 41095 34557 33442 30231 30711 32332 32683 31613 34111 29382 29244 37781 35410 34029 34018 33854 33249 25130 19451 19994 19071 26275 23627 37581 39899 34548 35317 24590 23210 34632 36932 28234 29915 36826 35170 34055 36300 31296 31131 29220 27847 25624 25301 34026 32849 22290 23737 24478 25111 31511 32669 22806 22389 28931 30093 34861 31578 36695 34338 32905 26706 33439 32772 18846 22908 24288 31840 30238 25610 28808 38531 36773 42582 43648 140.0336 140.0342@2.1173334 5268 6270 9703 9724 4959 5989 5207 9647 8363 140.0342 140.0349@1.8678888 9192 3920 1981 5279 2345 6805 4015 3599 12473 140.0349 140.0355@1.5795001 4277 6277 2753 2952 140.0355 140.0407@1.607 2417 140.0407 140.0476@0.9735 3098 3757 140.0476 1,4-Methylimidazoleacetic acid 9715 8781 15059 16346 49297 51130 5874 6151 6275 5618 2542 5456 5798 4255 3687 14842 16183 5989 6983 6066 5671 5638 5744 3591 3997 6716 6646 3215 3483 2131 13165 13234 5426 5731 5407 5054 2457 4581 4049 17187 17527 12106 12370 3653 3755 5285 4883 6301 5659 2621 3061 18157 18413 4281 4386 46960 48106 4412 4537 3274 10860 11169 24523 23840 2246 7631 6723 HMDB02820 C05828 140.0586 140.0601@5.9915 8436 4171 140.0601 140.0842@1.2125714 3806 16251 16068 9281 9180 14785 6576 140.0842 140.0935@1.224 3211 140.0935 140.0944@2.8575487 6502 6980 4687 23525 23591 4256 6226 5177 5526 5089 5093 6211 6087 5457 2219 4615 5351 2685 7330 7297 8184 8936 14316 14667 9084 5460 9095 11103 9783 5348 5594 140.0944 140.0944@2.87 2833 2848 140.0944 140.0945@1.8914 6011 8296 3733 4975 5411 140.0945 140.1146@1.0703334 3283 15191 4409 6405 6206 15113 140.1146 140.1311@4.5203075 2019 2723 2225 2598 3361 2363 2002 2305 2862 2747 3515 2915 3197 140.1311 140.1311@4.6085 2957 2793 140.1311 140.9509@11.164 4687 140.9509 140.9949@2.391 5078 140.9949 141.0012@2.3981817 3738 4090 7410 6144 6901 2897 4860 4281 3387 6930 7113 141.0012 141.0016@2.4021666 4718 5344 3599 4388 6828 4704 5785 8246 4929 5797 4893 141.0016 141.01@2.3955 3406 5282 4794 6716 141.01 141.0149@2.4095001 7523 1697 141.0149 141.0169@2.0428 3204 3518 4235 6059 3998 141.0169 C3 H8 Cl N O3 2699 6387 8372 7766 4828 5845 8015 6989 6944 9262 7757 6119 2974 4450 3529 8104 11422 2175 7725 13387 7497 6581 10407 7731 5584 2260 13116 4173 8963 2701 6461 3250 4563 6836 3439 4185 5416 9778 10623 6887 4345 11896 6925 2312 9584 12683 16738 10622 1636 8344 6952 11905 6397 7736 5972 6815 10490 7228 4820 5568 3114 2811 8267 5739 12009 7411 8779 2828 6321 7655 6564 4196 2476 5711 141.0196 141.0211@2.2136667 4523 5204 3283 2767 5415 2091 2313 10757 2078 141.0211 141.0217@2.105 5031 4095 5246 3799 1884 6518 141.0217 141.0234@2.1904001 4060 4142 2005 2686 6070 6041 1533 1918 5413 5288 141.0234 5-Acetyl-4-methylthiazole 4663 4529 4893 4395 6873 6051 5966 6611 6619 6397 5462 4861 4639 5255 6170 6854 6602 6205 4752 4904 4669 4998 3717 5236 5697 5637 4444 4251 5917 6221 5089 5031 5222 5147 4001 5688 5296 5449 5422 3262 5598 5650 4644 6275 5016 4917 5615 5604 5150 4017 4213 3912 5465 3557 3112 3046 4583 4906 4307 4129 5690 5255 5535 5255 4730 4981 4469 3164 4350 4783 4105 4118 5602 5447 6242 6616 141.0249 141.0256@1.8168751 4616 5325 7788 7460 6905 7056 7071 141.0256 141.0273@1.504 4579 141.0273 141.0295@2.291 1750 141.0295 141.0342@2.186 3772 141.0342 141.0377@2.1865 3260 3501 141.0377 141.0403@3.7152 5370 9613 2919 3870 15228 141.0403 141.0404@3.6304998 6212 3718 141.0404 141.0437@2.2024999 4555 3764 141.0437 141.0444@2.1970909 5681 4928 7741 7967 7291 2282 11005 7132 7268 5326 2149 6036 4985 7811 1879 3011 2927 6611 8018 2470 3405 4789 141.0444 141.0483@2.2029998 2158 5714 13734 11555 11624 5529 10307 8257 5303 6946 6578 6008 6378 4993 11894 6516 7653 5848 6052 4032 14878 4553 1626 6894 141.0483 141.052@2.2003572 9831 15197 14909 14340 13963 12675 13042 18928 13780 13234 12036 10296 9239 12137 25774 26541 14121 16106 11271 15056 12693 11367 11784 5613 8906 11787 14525 5424 141.052 141.0534@2.194 20386 22679 17704 141.0534 141.0633@3.7659998 5885 5622 141.0633 141.0781@2.056762 4964 4469 11872 12540 3734 4180 4169 8580 7942 4522 4283 7077 7269 4808 5775 5001 21036 20827 8691 8989 141.0781 141.0788@1.5703751 9734 2415 5007 15210 6086 8606 5501 7422 2433 7239 6002 5643 7457 6404 6786 7608 2619 6509 8009 7550 2541 8699 7644 141.0788 141.079@6.430778 3033 2607 5487 4805 2985 2806 2336 3665 3981 141.079 141.079@4.9024997 3716 3062 3641 5668 11481 13570 141.079 141.0792@4.775 4697 7252 8799 9938 10965 21660 14318 6916 4257 13780 4609 4038 141.0792 Ethosuximide 128673 123163 13227 18382 16600 14536 10970 9432 47395 27471 28814 21934 12588 92059 96980 158000 177048 82143 85441 5079 4980 145878 148491 45865 33575 15523 45881 48309 8915 6854 60470 45743 31329 28320 14586 10854 8765 8064 22616 17657 32565 41166 15706 15863 8623 15584 31362 40234 14145 13176 81888 43062 58858 211164 229809 13888 14460 16526 15912 10150 4027 11708 14002 7236 8769 53273 45749 36516 25825 7406 3100 6280 9597 30824 22645 109266 117311 21544 20141 4597 2056 141.0793 141.0794@5.8284664 2831 2649 1567 3558 3435 2102 2949 2365 2190 8593 9115 3457 4851 2310 2319 141.0794 141.0811@1.861 12900 141.0811 141.0816@3.972913 2572 12479 7094 3237 5518 15131 17509 10348 8732 12616 8848 14821 9990 15023 4829 6320 2116 12025 7142 7947 9691 12969 8897 141.0816 141.115@1.434 33655 35532 37651 37226 35982 36757 141.115 141.1161@1.124 2784 141.1161 142.0116@0.98727137 6405 8667 7657 8549 7260 6593 7779 8662 8206 13341 13838 13100 13208 16922 16089 15834 14842 12505 13616 18771 17352 16973 15929 20002 20777 22524 24432 22569 23681 9728 9368 7348 7869 8499 8381 8640 9214 9147 7838 9895 11399 13150 14738 10969 12013 17154 14275 15836 16298 24083 25552 13549 14703 16618 15428 14930 15964 20183 19774 9199 9703 10300 9920 8949 9895 23777 24233 8365 8213 12901 14808 18420 16345 17535 19185 17389 13243 16743 14430 15208 16990 23203 21825 21340 24178 28234 30641 20307 21229 17692 17354 142.0116 142.0151@1.0055 7082 3914 142.0151 142.0251@2.861 7912 142.0251 142.0254@6.898 7371 8334 142.0254 142.0255@7.3669996 3564 8174 10203 10047 142.0255 5-(hydroxymethyl)- 2-Furancarboxylic acid + 5.7976537 6432 6683 6690 9664 7829 11302 7531 6984 9862 9009 9139 10970 8733 7695 8798 7616 8374 6754 6365 8649 4733 9137 7248 6304 7065 6150 11951 5575 10539 11040 6269 10296 8450 5646 6670 8372 9665 7166 5956 7589 9199 9262 9484 7970 7219 4361 6299 5893 5483 6288 5675 4617 11035 11623 11029 8859 6378 8159 7105 10437 8004 9594 9094 8334 6534 5496 7876 6457 6948 13872 3654 19597 10476 22805 11650 HMDB02432 142.0256 142.0256@3.8838 4287 3035 2419 2014 13954 142.0256 142.0257@6.629223 4313 7619 8471 5252 7955 4992 5922 9799 3501 4498 9913 4190 3254 5042 4436 5435 4769 8846 10126 12011 6503 8381 7216 11043 7691 12447 12668 142.0257 142.0257@6.273778 12163 10521 6217 15927 4705 5962 9740 11827 6603 142.0257 142.0257@5.616 3812 14829 7550 14566 13624 8065 11968 10180 12291 10333 9158 142.0257 5-(hydroxymethyl)- 2-Furancarboxylic acid 14902 5385 11827 5897 4753 8069 7329 23906 18031 12940 5431 2626 3902 6373 7861 8530 8024 17506 5896 5031 7577 15666 9155 7754 13635 10667 4751 11648 6835 8662 15013 19331 17239 8068 9018 6864 28476 9199 24105 10734 10709 HMDB02432 142.0259 5-(hydroxymethyl)- 2-Furancarboxylic acid + 5.6119556 12267 8513 7544 14184 10367 13379 8015 8739 9502 11072 11628 9567 14621 14255 9137 7825 7872 14178 8993 12543 18020 9958 15424 6914 13682 11340 8047 12632 7420 11939 14207 13111 7854 6456 9561 12636 8367 12270 34483 13001 8923 8292 16296 11780 7470 13376 7618 11150 12027 8309 6112 6154 13825 10987 11922 25385 9011 11368 15241 19473 10949 28581 9538 24809 19644 24461 11220 HMDB02432 142.0259 142.0259@4.8403335 2851 5585 6078 4489 5241 10572 8597 3575 4759 5344 8281 17706 142.0259 142.0259@4.977161 5674 3754 2772 6367 3404 11175 15043 7854 9209 13481 4989 16348 13826 17298 5392 15499 4558 14614 18453 10565 10124 8760 12348 5012 14781 10680 12212 13948 14824 10601 20977 142.0259 142.026@4.851 3481 142.026 142.0262@1.2529999 2152 1968 3501 142.0262 142.0339@1.411 2977 142.0339 142.035@2.011 19155 142.035 142.0458@2.025 16421 18195 142.0458 142.0564@1.8115001 5539 3191 142.0564 142.0599@5.4265003 3001 2966 142.0599 142.0605@1.8136002 4767 5503 3188 5034 5046 142.0605 142.0641@1.817 4584 5321 142.0641 Ectoine 3453 6935 7464 7946 3045 3187 3498 3087 2382 2234 8214 9040 6139 5259 2872 2514 2925 5458 5228 2890 1638 2689 2709 1963 2050 5521 5325 2266 16928 5790 5384 7230 7158 4463 3527 142.0729 142.0741@7.2763333 6670 3673 18117 142.0741 142.08@4.896 2746 4835 142.08 142.0811@4.8135 4456 6299 142.0811 142.0815@4.757 3636 9285 142.0815 142.0949@1.2084999 2881 4383 142.0949 3-tert-butyl-3-butenoic acid 3983 4347 2355 6009 4755 4826 5225 5283 4006 4093 7361 3398 5845 4917 3957 3868 5523 4516 4932 4251 4099 3591 3169 18286 3725 2705 2590 12130 7592 5059 3332 3990 4209 2908 3116 4918 4692 4758 4904 4054 3332 3565 4655 5452 5114 14225 3245 8100 4338 8012 3040 3484 2538 3078 7862 4254 4795 4264 3586 7379 7731 3501 142.0986 142.0991@1.1825 2970 6960 21728 14725 1704 2591 5159 5044 4808 2947 142.0991 142.1094@1.4185 5725 5646 142.1094 142.1101@6.72075 5909 10786 22453 17414 17835 15769 3813 3865 142.1101 142.1101@2.665 9160 142.1101 142.1102@7.0647 2174 1723 4866 4794 3366 7190 1295 7769 9912 1887 142.1102 142.1102@3.4449997 3881 3759 4299 3521 3726 4336 4744 142.1102 142.1103@3.3031 5177 5090 4024 3591 6679 6296 5104 5003 5436 6983 142.1103 C7 H14 N2 O 2552 2575 6056 5574 2449 1782 2522 2506 2399 2362 2615 2083 3139 2817 2632 2618 2004 2609 2603 2657 2554 2896 2495 3010 2800 3195 3951 3854 3112 3104 2638 13931 2142 2764 2623 142.1105 142.1106@2.602 16629 142.1106 142.1107@6.608 14106 142.1107 142.1374@6.914 3279 142.1374 142.1441@6.92079 3516 4065 4547 3173 3156 3749 3424 6570 6881 6959 5454 4277 2790 3089 7661 2589 2637 2698 6758 6237 7374 8044 8702 2026 7620 6429 7929 8002 3055 3303 1961 1965 3753 2514 4436 3158 6851 5916 142.1441 C8 H18 N2 10377 10196 4863 5176 3559 5958 6697 6262 7291 7063 4984 6727 4383 4567 4050 3759 6657 6058 5799 6578 5949 6223 6053 6633 6764 9004 8542 6620 5607 5199 4773 5717 5347 5660 4034 4347 4369 4457 142.146 142.1472@4.851 22175 142.1472 143.0266@12.856 1318 143.0266 143.0277@13.047 1614 143.0277 143.055@7.1751666 15460 4988 3073 2525 1958 2462 2033 9034 5264 4585 4354 2858 4622 2108 4167 3376 2592 2695 143.055 143.0556@6.9563074 8356 2028 2573 3434 2670 3017 2212 2143 5650 2689 3162 5431 3116 143.0556 TROMETHAMINE + 5.1856112 32740 26762 23525 27809 3896 17569 26019 12854 8994 11751 15671 8426 6231 37194 14277 6269 9592 20878 17765 12344 5440 24579 23454 4620 7365 11906 16897 18962 34670 18110 27955 14649 11975 7062 7396 5640 12004 9294 8572 26839 7165 7382 20057 29342 21842 23660 5333 14798 21005 14867 27972 47371 14501 6015 11997 32211 6197 9179 5113 10466 11042 8944 7596 17291 7596 21897 8115 6771 6709 15358 19861 8375 5136 19372 16104 9268 15598 143.0557 TROMETHAMINE + 6.2190123 39580 6037 4508 14490 4168 14879 9779 2042 3606 10133 4521 3405 7879 4161 3096 13595 4431 17980 13577 18119 11850 8544 5119 4645 3930 5357 5365 4723 3318 14755 9511 3912 3944 15654 4529 5700 15128 8526 9455 17265 3810 12794 2916 3893 3279 3167 13626 8584 4292 30636 8472 2693 5302 20647 22894 6900 2206 10886 5012 2705 9651 12274 12129 7588 2304 6790 3679 8512 1562 11025 7447 5549 8260 8127 14006 143.0557 143.0558@5.87 3549 3142 143.0558 143.0558@6.358 2940 4898 143.0558 TROMETHAMINE 19083 24828 17225 15611 16177 10843 4998 16005 23615 21697 9369 2466 10726 12284 10966 2237 8923 7169 10377 1682 8676 8742 9600 7779 4949 10586 10948 10440 5734 13736 15045 21223 24721 5183 22132 22367 18018 10706 19059 14468 12603 10606 10712 12838 9468 8670 4944 10785 11875 12694 12169 6332 7705 8890 6880 7689 6522 6108 11976 7878 17104 14829 12898 10522 11075 12420 11095 9998 9417 9350 13441 12609 7410 16177 10221 5943 8807 3685 5164 6689 3332 2163 6631 3609 4144 4691 8027 143.0559 TROMETHAMINE + 5.4366517 31148 61755 49890 39596 24952 37357 27978 20935 54269 16384 32902 33661 36747 20499 19894 45245 28787 18501 15925 19384 28758 12140 14122 13315 25939 9964 12745 22652 12577 20528 27870 33345 47361 40587 27919 30050 40950 26294 33638 33646 30336 8198 10308 18305 23849 21432 25699 26596 30830 29689 21704 11246 23600 13392 21356 11233 25328 7868 9521 4836 27651 30537 25980 35427 11781 20930 33337 27973 34678 20188 25510 24431 37085 31542 21634 25246 24211 11713 23624 31165 17163 18932 18341 9216 16966 24894 5462 15231 1973 15564 3970 7589 143.0559 TROMETHAMINE + 5.5924644 39570 36084 14217 37079 10106 14764 40358 34464 20970 13335 10397 8582 5990 17322 19097 5342 5832 7249 16686 3346 32005 11651 3735 4260 12447 24422 27717 18835 45395 22598 44181 14062 10448 25747 25397 23399 9352 4325 9597 17510 17292 16051 17135 29584 4735 11872 2881 20399 3298 12785 4648 8791 2259 2882 2092 7728 45596 11210 35375 35992 21529 42516 44324 24334 6749 26725 23330 25137 25943 31489 15711 21504 13618 24307 11420 12509 5771 6334 5800 6997 2773 8319 5979 9074 2460 6120 143.0559 TROMETHAMINE + 5.9955096 17771 10007 4853 25786 6934 18411 6438 4751 4643 4338 13074 4531 4015 2802 2962 3081 3854 29531 42581 33550 4113 37275 4499 4663 30909 10354 4869 4553 7482 4857 4793 3800 6264 3815 11683 7930 3622 4045 38735 8782 2901 10125 6073 5597 3592 16596 3969 32723 16232 4361 4250 2757 4189 3306 7102 18906 3908 2588 4184 143.0559 TROMETHAMINE + 6.6530137 5689 9695 7722 5769 5164 7617 8053 4713 4576 4722 5153 4938 5336 5212 4148 2220 3910 2588 3916 4346 2149 4172 4191 8538 7256 8092 7458 6353 6989 7597 9225 6428 3217 2861 2973 4120 6629 4193 2789 4974 4753 4829 4966 2480 2413 5335 4510 1861 4184 3821 3578 4041 7363 6340 3230 5309 7325 7609 8396 5972 6509 3301 5807 4822 2413 3817 4703 4597 3898 4048 3104 3123 2654 2658 4451 2794 143.0559 143.0559@4.961 7588 1479 10378 5934 143.0559 TROMETHAMINE + 5.7465215 10364 20077 56896 11163 58228 29124 34677 7705 7791 19720 7952 29153 35592 20089 6171 24925 13744 29711 11793 25359 11818 24598 25940 10068 18004 2576 27695 8815 50416 28315 29210 25685 33507 27425 26141 21682 39891 41923 21920 6764 4817 15058 23439 4681 5246 3479 18671 22810 3638 14575 6650 13652 3846 21914 2315 30614 16608 22050 38099 26783 8119 22839 6332 12130 24119 25720 16878 16851 5527 17333 15768 4487 12211 4577 15004 4572 26089 2717 2300 16521 2264 3191 20253 20763 13765 17586 9012 16806 143.056 TROMETHAMINE + 5.827722 37946 12329 46113 54624 8155 32966 26697 7928 18948 37676 4527 3408 37418 10499 27880 11280 20179 5161 8055 15461 8897 7719 9154 6025 27253 31277 10492 24693 31006 30371 29727 6533 21426 10113 15423 3105 24712 7698 26595 40345 25858 9532 42990 9875 7389 5808 11879 32156 28149 28026 3572 22693 28909 17610 2376 18319 17768 3815 3823 9017 3342 143.056 143.056@5.836857 18356 35152 30675 4513 3278 23031 12431 143.056 143.056@6.3365617 5190 8742 11257 11483 5018 3732 3373 2952 2952 14191 3675 4589 4443 5850 2954 3645 3521 1441 3860 3410 4044 2474 4627 3790 3105 12720 2172 1952 7063 3801 5608 2156 143.056 143.0561@4.8477335 5130 5565 2576 1543 8204 12251 3409 2492 2081 2261 3003 3620 3287 1913 8094 143.0561 143.0562@4.275923 6472 2438 2542 8886 2067 2018 6448 5657 4592 6837 6732 2140 7839 143.0562 143.0564@4.314 4002 143.0564 143.0575@6.731126 4246 3648 4029 2660 4611 2769 5074 4860 143.0575 143.0603@1.22725 1783 4531 3996 2739 2925 1508 1679 2073 11792 10955 5671 5855 2430 2768 2631 2648 3583 1956 3018 2596 2146 2695 4202 4425 3446 3406 2166 143.0603 143.0644@1.2265556 1943 3279 1704 2430 2870 2767 1660 2002 2182 143.0644 143.0662@2.0495 4166 6584 143.0662 143.0688@1.226 2923 143.0688 143.0692@2.084 6117 143.0692 143.0761@1.8085 6926 8001 143.0761 143.0873@1.819 3712 143.0873 143.0882@7.8908334 5245 2315 5299 5503 4440 2777 143.0882 143.0899@7.778151 2934 4728 4149 7689 4745 5613 9880 8822 1687 2185 2647 5274 2596 3568 3291 3213 14338 17413 7587 3376 2262 2440 1876 2263 1904 1897 4204 1763 5150 2192 2884 9130 8244 143.0899 143.0901@4.7608333 1679 3612 2708 5117 4127 3227 143.0901 143.0902@5.9743333 1987 2249 3328 143.0902 C3 H9 N7 4665 4034 2543 14757 14335 4397 5190 3131 6324 6413 8596 2752 2353 4538 4523 2549 4202 6226 5707 3896 4079 4829 4084 2083 2134 2469 5854 6821 3087 4028 1938 2402 3480 3841 2939 2579 6182 4282 3878 2249 2971 3204 3332 3722 5659 7847 2844 2997 3125 2197 2378 3359 2814 3121 3092 2524 5765 1830 3645 3442 12443 10281 2590 5348 5395 5992 5365 5945 8504 9005 3901 3687 5228 3224 143.0903 143.0904@7.003 1786 143.0904 143.0914@6.9082265 16282 17642 16427 3448 2356 2868 2745 7962 7263 13751 5094 5835 7150 6541 11307 10599 1495 5018 12101 9890 13402 15173 143.0914 143.0925@1.7805713 2171 6186 4448 1671 1761 11277 4398 143.0925 143.0929@1.822 2353 143.0929 Triparanol + 7.1791935 8392 8409 5948 4457 7554 6828 12548 12372 4787 5861 6805 7650 10838 9176 6078 9453 10918 4477 5212 4448 4806 7431 6326 4721 4840 8334 8629 6497 4912 6585 6815 5332 7098 7271 6564 6975 4596 4975 7565 6256 6270 11723 5730 5260 7242 6339 7562 7400 9339 9372 6833 4520 9480 10815 14358 5613 3570 6374 5182 5787 4943 5255 4994 4664 8045 7776 4340 3664 4152 3476 11848 10991 8348 8847 5447 5973 5784 8504 9650 7125 8530 8898 8983 HMDB01378 143.0941 Triparanol 24583 27066 6682 6827 45083 45535 31887 33301 28919 29520 6842 8113 41411 40182 25515 24725 19823 18024 15732 16483 19100 19042 5003 3703 14448 15882 32521 29022 21692 21354 39478 38950 23758 24707 12582 12615 20956 19906 35522 33775 31497 22354 20637 20568 14039 14561 35081 35249 14761 14773 35697 33867 20933 20648 12432 12141 18672 18810 11626 10781 12425 11529 46707 50252 18247 18125 21689 20464 18691 18079 5663 7819 24561 23341 10060 9726 9037 5796 10173 37910 37120 36862 18207 17702 36675 39850 13293 12417 26157 24760 HMDB01378 143.0945 143.0948@6.803 132182 143.0948 Triparanol + 6.444099 68379 70644 9471 8625 9649 9823 31877 28131 9297 10068 16750 16203 7570 6650 12677 12222 20521 20073 29917 31619 12500 12125 5423 5642 29977 28815 33374 31884 3356 3967 56822 56458 5147 5389 24076 24670 23163 22606 14890 14576 6098 6157 5800 4862 31471 32422 6143 6355 5526 5790 13051 12876 6669 7140 25899 21491 21415 22150 117751 117149 10040 10476 9895 10370 4617 5134 5501 6152 4669 4336 41884 41061 10108 10593 4376 3947 7364 8049 16876 16925 41555 41855 44132 10333 9901 20443 19710 5814 7038 7803 8117 HMDB01378 143.0949 Triparanol + 6.739891 2000152 2011777 104197 122062 58101 58231 4943965 4995674 358256 326870 246437 249347 7517720 7456994 8768327 8819957 6189324 6168576 7389266 7422340 94980 99618 674157 673161 8289031 8307843 1073309 1054272 37103 37520 297628 302848 736827 732282 1114150 1118481 268185 271886 308470 311419 575485 594583 243886 246407 382473 384708 557209 552418 5305310 5174502 4195596 4201092 616971 638508 1416873 1414019 2162710 2159053 3951437 3971200 6154720 6212138 3137668 3146383 70847 67060 38755 40807 1866164 1823629 140252 152673 2058881 2067565 4113312 4121713 2968136 2982148 1699832 1711342 4918413 4818285 4958887 5383743 5437259 1368805 1359070 473466 462355 8739325 8681880 HMDB01378 143.0957 143.0981@1.6585 15594 15931 143.0981 143.8871@6.758 6586 1219 143.8871 143.8919@6.756 3929 143.8919 143.8956@6.744 1950 2380 3533 143.8956 143.9068@6.7356668 6864 3394 1718 143.9068 143.9172@6.752 1068 2145 143.9172 143.9253@6.7434998 2726 2814 143.9253 143.9303@6.726 7630 2363 143.9303 143.9361@6.725 4133 2755 143.9361 143.9486@6.732 4992 143.9486 143.956@6.7326665 2234 4860 6554 143.956 143.9673@6.7443333 9341 6040 2262 143.9673 143.9738@12.124 1499 143.9738 143.974@3.6366665 3838 5074 6003 143.974 143.9745@3.3842726 5891 1284 2155 13916 9579 8594 10806 6455 12626 9156 15235 143.9745 143.9745@3.7725832 11334 10205 8882 8345 4490 11536 8316 7569 6928 11298 12243 3704 16755 13207 8160 7926 7912 5749 6783 2953 7690 5265 9046 6417 143.9745 143.9748@3.36 5232 143.9748 143.9749@6.747667 2980 6539 5190 8373 6452 7448 6511 4017 3627 143.9749 143.9749@4.205111 5881 17395 14196 7770 15365 13367 5133 5102 2761 1595 12935 6144 21511 11677 11411 20072 1656 2676 6817 6001 2516 5837 15270 10201 2997 4625 2936 143.9749 143.9749@4.145867 12922 9585 7427 3287 6282 3532 6765 3175 7540 2946 6713 5135 7308 10691 1942 143.9749 143.975@4.2358 6345 2941 2095 3571 3346 143.975 143.9796@6.72725 2904 2611 3659 3328 143.9796 143.9858@6.724 3137 143.9858 144.0332@6.735 2925 144.0332 144.041@2.0158 3139 3671 3197 2928 2898 144.041 144.042@0.96368176 3705 3936 2666 13434 15115 3210 2738 4087 4335 8088 7191 4179 4281 4442 3895 7837 7295 5127 4286 2580 4462 3991 144.042 144.042@1.7858 2891 5447 5393 4046 14980 144.042 144.0423@2.33 8102 144.0423 (E)-2-Methylglutaconic acid + 2.7288678 103580 95009 492783 223569 231411 246555 229617 235279 152233 135358 257580 222789 52124 131970 225223 157539 149347 238556 157958 259830 272875 170043 197688 200291 265946 101536 103073 199454 216497 226365 210418 185651 206227 216940 125917 110539 139392 145882 106999 206705 261846 206028 217259 156823 504998 196718 211135 236889 102352 106374 152363 138492 213180 238340 113379 109843 115155 412199 187834 174293 176006 236359 139100 63517 68952 269464 233929 108338 HMDB02266 144.0425 144.0425@1.7586665 2937 5268 5017 12817 10587 2799 2827 3700 4112 4376 4055 15812 144.0425 (E)-2-Methylglutaconic acid + 7.1860867 24460 25375 25697 26016 33029 32776 45992 48759 20671 22868 29561 30131 39963 38951 9748 9371 26377 25143 45939 45388 19385 18339 17313 16962 26028 26149 24601 23462 18753 18364 34401 35205 20541 19155 23196 22420 21153 19318 31082 31279 22752 23520 18923 18351 27875 31139 23110 22853 21006 20948 23767 24008 27825 28096 35511 34351 18733 19508 43794 43552 27463 24956 20708 19401 21532 21287 21168 20258 26996 26344 28881 30892 18646 19016 16941 15693 44709 45648 33173 32454 25440 24456 24365 37114 37382 31577 32920 38888 38216 15606 15949 HMDB02266 144.0426 144.0426@2.6221428 235000 243660 118831 157535 153457 134860 208526 204976 216829 199187 337067 312835 70161 344434 144.0426 144.0426@2.6757498 225280 167213 195124 95207 144.0426 (E)-2-Methylglutaconic acid 215866 3564 252320 2740 319531 299405 282800 341713 225132 5725 211937 161611 202527 457434 371848 217963 121733 95662 295533 206470 250770 216919 298183 210531 352162 370814 194519 6252 299877 162543 144891 131001 4918 10503 1759 228885 4311 242841 224496 490887 215737 241273 2070 359474 8678 247806 7426 7724 214070 249746 229583 249625 7302 478825 13453 6421 294154 291943 306187 268781 266943 290340 262789 349276 215598 475833 HMDB02266 144.0427 144.0643@2.841 11663 144.0643 144.0827@2.8313332 3125 3560 4233 144.0827 144.0834@1.662 2930 144.0834 144.085@2.8335636 10161 10732 4204 3051 10753 9362 2032 8211 7169 4886 3946 4228 6465 2781 5911 2440 2907 5853 4490 4376 1426 3157 5486 4006 16466 14881 2881 2153 2753 2561 4844 4285 2926 3102 3668 2806 4988 4063 2801 144.085 144.0859@1.6486667 2196 2368 4122 3726 3069 5786 7780 3920 2494 3044 3238 4719 144.0859 144.0973@6.83 1770 144.0973 144.1147@1.1252941 70440 35485 9633 9758 61976 31027 6017 7908 3871 4191 7615 7514 22064 22669 9784 5069 2597 144.1147 144.1151@1.0455 6781 6832 144.1151 144.1258@6.0976667 2392 2407 6347 5480 3306 3079 5380 5445 2426 144.1258 N-Acetylcadaverine 4638 5379 4557 3765 36887 37546 6484 6321 5435 5432 25811 23389 41110 38361 11788 12130 6321 6769 4058 23532 23942 4941 4754 16204 17083 6424 6198 32397 32239 4078 4833 3216 3535 5128 5016 5713 5577 HMDB02284 144.1262 144.1443@2.70325 5004 6448 3763 4839 144.1443 144.8951@6.729 1773 144.8951 144.9423@6.735 2707 144.9423 144.9532@6.734 2579 144.9532 145.0461@2.6738572 6195 4743 13258 12557 10283 8916 22921 5412 14067 3454 9738 35311 6601 36510 145.0461 145.0464@2.7489333 4171 8198 7454 3396 12804 3148 5796 7904 1900 1363 3217 19299 8599 17425 8815 145.0464 145.0467@2.5912309 13870 11999 16345 2957 12139 5864 19747 8752 16334 4337 4913 6737 15220 145.0467 145.0528@1.1116191 2290 2113 2968 2646 1812 2271 2258 3080 2092 2253 2231 2324 1952 2127 2500 3196 2032 5638 3459 2087 2263 145.0528 Isoquinoline N-oxide 2662 2441 5448 5110 4448 4947 4857 4672 3820 3642 3983 3917 9059 8722 4288 3727 2472 15491 17758 10143 10905 2851 2820 5190 3645 2894 1785 3125 2632 2490 2917 3571 3120 2262 2445 2601 2554 7142 7243 8324 7874 1940 3171 16881 17673 8122 7954 2926 2673 2971 3835 4697 5089 3291 2965 4265 3166 2869 2360 2560 9568 9777 145.0536 145.0538@5.415948 2216 2568 2203 4202 3909 5252 6048 1758 1909 2759 2702 7547 7334 1660 9352 9816 2311 3103 1789 145.0538 145.055@1.7609999 3488 3378 145.055 145.0563@1.4931035 17433 12531 40668 35157 2989 77084 76823 6706 5002 6324 3923 56126 53795 13170 15345 6470 6943 4701 4012 46843 43763 5096 7611 115815 111373 83467 83001 14104 13067 145.0563 145.0593@1.58 5525 145.0593 145.0695@7.4915 3433 4062 145.0695 145.0725@2.0456002 23768 4024 6429 4274 8521 145.0725 Propionylglycine methyl ester 31451 31158 27767 28674 27668 27679 61497 43141 13848 13874 24452 24226 35779 34602 20435 19073 22210 22688 16085 15295 11094 9744 16251 15983 23234 22127 25985 28202 12576 12375 21874 33654 13206 12084 15021 22779 22196 29659 29145 14668 16273 9883 9320 18115 17145 10842 11610 11001 25508 21009 14866 14588 12874 11294 11526 34809 35847 7080 11495 13020 14617 9291 10249 13123 13368 13951 14447 18466 12493 10340 9678 10134 22841 21260 13949 9021 19547 16929 19021 18058 17514 28019 20750 21738 20337 21231 19070 HMDB00813 145.0732 Propionylglycine methyl ester + 3.163646 20960 10449 30390 28485 6580 183226 161552 76608 75461 121950 118368 97589 98982 80232 83211 14718 14117 7632 7080 21677 23326 7092 6259 4484 3034 5477 9488 6657 5896 8101 9102 64241 65286 52988 55636 20568 20695 4160 18301 22303 101329 108768 96165 96853 60502 59272 33760 34697 9604 16663 71144 68959 52762 17221 58123 12397 5715 67355 68358 65708 120848 113513 9024 93745 22701 HMDB00813 145.0736 145.0736@3.1685455 14144 3739 5341 4012 22641 22565 9333 5510 7372 7782 66699 145.0736 145.0742@2.74 20240 145.0742 Propionylglycine methyl ester + 6.2598743 17227 17620 59562 58360 24270 23748 37762 37666 59054 56942 42905 41988 16266 15456 3702 7664 9643 9103 11057 11549 39751 39676 93131 91463 19502 20592 10158 5640 13734 10663 10183 7359 8343 4988 5526 5389 11207 10852 15880 16150 15001 10228 9661 10298 7154 22156 21822 8275 HMDB00813 145.0744 145.0769@2.105 8528 145.0769 4-(diaminomethylideneamino)butanoic acid 5841 5538 5050 5263 3980 5400 4671 4069 5342 4246 5147 5065 8017 8188 4559 7391 9075 5414 5467 4711 4476 3790 4724 5138 4574 3644 5048 4397 5072 5656 5252 5053 5101 5781 5681 4969 4591 5017 5066 7935 7877 5845 5925 4797 4012 4377 4384 4430 5060 4103 3798 7309 7276 4660 3876 5240 5520 5341 4841 5448 4574 5499 5660 4254 4083 6607 5062 6046 5156 3637 4246 2983 5585 6010 145.0854 145.0991@6.788 2855 145.0991 145.1087@1.273 3236 145.1087 145.1102@5.9624996 3191 3434 145.1102 2R-aminoheptanoic acid + 6.352442 2772 3082 3215 3173 6211 6013 3386 3239 3727 3540 5318 5611 2949 3141 10517 10410 2554 5573 5469 2170 2276 3713 4048 2473 3274 3295 2379 4424 4792 2501 2495 2829 2739 3011 3064 2953 3139 3048 4424 4020 3058 6109 6105 145.1103 145.1103@7.2647505 5794 2623 6238 2772 145.1103 2R-aminoheptanoic acid 209087 208464 184038 186887 132673 136504 281749 289018 228602 230079 139670 148263 254362 254213 145860 144334 142217 142725 140611 144605 197027 198145 214623 216485 183481 183374 167508 165063 194428 196707 248535 252766 114473 115957 174384 180182 127962 127727 264317 259775 212529 218101 139244 140591 149502 151729 171043 169387 193393 192574 187549 181031 213018 209991 176216 172917 161621 155418 292438 296363 132270 132248 165652 169622 136044 133646 185489 187728 169008 163370 164029 167563 137959 138529 198803 193503 262504 266246 197809 198518 213286 214674 214841 242574 248057 206309 206120 118333 119308 284873 279660 145.1106 145.1106@7.8765 9061 9355 145.1106 145.9727@4.06575 3035 2443 3457 8658 145.9727 145.9727@3.7919998 6772 6126 145.9727 145.9727@3.419 5264 145.9727 145.973@4.2053337 6742 3963 10078 9197 3094 4620 2088 8549 9195 1936 4769 6307 145.973 146.0408@6.1016927 3154 2431 3212 3405 3033 3095 2012 6532 5191 6019 6425 6134 3957 146.0408 146.0497@2.6663334 11589 9632 8788 146.0497 146.0587@3.1685 5225 5253 146.0587 B-ureidoisobutyric acid 3769 4093 4431 4680 3481 4605 8251 7758 5911 4860 5124 4687 3536 4114 3513 6153 5929 4550 3615 4671 4461 10218 10192 5156 4690 4333 5522 5329 4887 5465 5544 4754 4233 3831 5046 4569 4464 4641 4510 4272 4042 3991 7022 4471 5339 6414 3213 4208 4728 4817 3788 3749 4010 4244 5887 4071 4581 4385 9374 6835 3100 3116 3189 4748 6984 146.0687 146.0693@6.843 3092 8819 12741 2833 146.0693 146.0697@2.837 2255 146.0697 146.0704@4.19175 3252 3491 3623 3497 4277 7906 3712 4490 146.0704 146.0762@3.2354999 3454 10400 146.0762 146.0783@7.3339996 4756 4919 146.0783 146.0951@1.168 3574 146.0951 146.1051@1.091 9079 146.1051 INDOLE-3-CARBINOL 13998 13407 10495 9561 28173 28062 49652 49508 34337 33549 35658 36298 36366 36359 46007 46443 8408 9176 9591 11685 7758 7781 20872 22265 44486 44015 86334 87887 11171 12258 38474 36330 18371 17343 7569 8438 12052 12616 16429 15439 40430 40988 17717 17301 13649 12291 88269 89362 12406 12153 19772 19590 26351 21282 143570 138620 13196 13814 5768 6392 17161 18499 15750 16819 6415 4765 4331 3347 5134 68923 68984 63283 60082 HMDB05785 147.0686 147.0709@0.8175 2541 1848 3512 1558 147.0709 147.0726@1.79 5383 147.0726 147.0899@5.952 3631 147.0899 147.09@6.6984997 3093 3388 147.09 147.0904@5.9227495 2364 5488 3135 5146 147.0904 147.0917@3.9656665 6787 6909 3992 3988 3727 5332 5603 3768 3460 3360 3634 2911 3857 4216 3303 147.0917 148.0118@1.647 6669 148.0118 148.0123@3.609 4003 148.0123 148.0159@1.0523334 6189 4157 4866 6276 8440 5741 3902 4982 5927 148.0159 C8 H4 O3 41507 42030 45874 44715 39332 33315 33343 34495 21771 26313 48819 48494 49180 48595 45891 46342 42984 40279 55046 55344 33623 34175 42762 44549 46244 49011 24008 23361 33309 34872 32448 32507 34352 32562 28036 32262 33493 25657 34901 33123 15937 25124 32562 33236 38525 36941 31199 32625 39607 39287 32049 32922 33834 40378 38835 37640 30943 32507 34801 28337 43633 45276 30308 29747 33697 33965 22354 22937 25005 25872 48198 48858 40477 41565 38232 39588 34080 33386 35263 36688 35778 41787 44004 41772 36181 33004 40311 40532 35577 37070 39309 38060 148.0162 148.0163@1.429 25876 18475 10388 10040 6070 5429 6823 5682 5072 6094 148.0163 148.0164@1.477 8045 148.0164 148.0172@2.98575 7178 7657 8303 2865 148.0172 148.0388@3.738 67395 148.0388 148.0398@1.051 3633 2921 148.0398 148.0488@1.134 2599 148.0488 p-HYDROXYCINNAMALDEHYDE 188638 190152 197577 193214 176737 185840 137587 136777 179383 175476 154004 153182 146565 147032 165088 145573 170695 156489 141931 147552 242573 236540 130364 130598 159612 158488 172597 169816 159439 159286 166265 104162 145777 137335 185663 187842 137760 131777 155640 153717 138692 144938 175234 175171 159202 156024 161355 153792 198040 197180 215285 213415 148125 142223 137528 136233 178003 177674 198448 198086 159551 163586 132973 139298 150660 152457 166428 182500 157334 152219 144975 141207 154913 156689 182618 179205 199289 176893 195480 250507 236210 212941 190321 194746 248170 251208 187312 184760 174983 179486 194026 187376 C05608 148.0525 148.053@1.1334 2789 3011 2713 2948 1861 1694 1660 2242 2587 2970 148.053 148.0532@5.634 1894 148.0532 148.0588@1.145 2309 148.0588 148.0636@1.2270001 3641 4044 2455 148.0636 148.0637@1.5618846 21192 22416 3425 4400 3679 3224 13878 13229 4701 4343 10686 10650 7498 7832 5801 6039 11637 10003 4374 5574 7934 7056 8097 4428 4331 148.0637 148.0637@1.2947273 17479 17364 10765 17495 19501 5792 6699 25662 22390 25099 23962 148.0637 148.064@1.7156667 4892 6358 5778 148.064 148.0717@2.2255 5752 4375 148.0717 148.0737@3.1286666 7553 7032 7538 148.0737 148.0743@3.2655 9506 9642 10733 10518 148.0743 148.0796@2.2843997 4986 4959 6348 10358 148.0796 148.1002@5.987 6219 5053 148.1002 148.1091@1.207 2592 3633 148.1091 148.1191@1.0554 13336 7021 5132 22221 9002 148.1191 148.9981@4.2869997 3506 3402 148.9981 149.0477@1.690857 3509 7569 6520 2313 3064 37615 37487 149.0477 149.0486@0.7773333 4308 3028 2980 149.0486 Methionine 34393 33818 31703 32038 40624 40397 64873 68329 35328 36094 37394 37237 37534 37576 26358 27369 28083 27769 35254 36025 21015 20369 29205 28984 61980 59879 37157 37178 21628 22849 29389 29555 37807 37994 27744 29241 60564 62568 38247 37657 60625 59994 23341 24550 27014 31982 32189 32358 20343 19607 26591 26258 23798 23752 36399 37266 25002 26346 84371 85564 32259 31481 25915 27005 19103 23671 30150 30270 33331 32196 37676 38262 29070 28938 24582 25791 29773 25381 30802 19386 19129 43652 42325 41606 26080 25548 33114 32630 41375 40118 35310 34680 C00073 149.0511 149.0535@1.689 3628 149.0535 149.0605@1.708 11815 149.0605 C5 H12 Cl N3 2951 3132 3515 4006 3787 3330 4480 4438 3886 3215 3414 3553 3146 2891 4481 3845 2736 2773 2654 2570 2748 3350 2893 3417 2904 3305 2983 2672 2973 3905 4078 2679 2440 3433 3101 3331 3082 2815 3258 2610 2928 2595 2787 3119 1995 3428 2993 2481 2510 2656 2336 4057 4073 2598 2008 2638 2368 2366 2733 2564 2651 2275 3250 2731 3303 3155 2295 3216 3492 3786 3055 3139 3626 2604 3882 3580 149.0728 149.082@1.542 3866 149.082 149.0825@1.2935001 9741 9211 11721 11289 3491 4178 15831 14399 12827 14490 149.0825 149.0831@2.1847498 6295 6438 5871 149.0831 149.0835@1.169 8626 8349 3823 5237 5203 2132 2961 3261 2959 3384 149.0835 149.1016@5.8335 1701 2402 149.1016 149.1054@5.6524 3960 3393 5593 4747 9867 9195 10057 9938 2661 7003 6482 3596 2755 11328 13181 5952 4985 4934 5024 2759 8234 8091 2728 4053 5229 149.1054 149.9985@2.6984 2740 2777 2112 2133 2866 1460 1574 1706 1792 2013 149.9985 149.9992@2.54325 8944 10931 6613 27727 23250 25319 24895 5884 5151 19034 21349 6342 149.9992 150.0241@3.956 77406 150.0241 150.0424@7.25 1980 150.0424 150.0462@2.159 2684 150.0462 C5 H11 Cl N2 O 38724 46492 35143 37033 34863 35761 83899 87142 22329 22588 31651 38736 48420 47921 19572 23496 24306 21661 23127 24332 17439 19011 28135 30250 21223 21595 28018 26694 13842 13469 32872 32525 19669 18679 27226 24589 30514 32039 39571 36329 23447 26471 14066 13651 31793 31613 17268 18099 15218 14603 25607 24062 13921 15347 18077 16447 24224 24652 67350 70371 16513 16611 21216 21763 15502 11781 19519 20958 19924 16816 36361 34166 13021 14355 18159 19986 35845 34126 15439 16285 38717 38406 39302 22417 22994 39689 40083 29367 31467 33563 32484 150.0555 150.0559@2.705 19688 150.0559 150.0567@2.2354999 18726 1806 7138 1980 150.0567 150.0577@2.2307498 8254 15229 16456 15143 14411 15020 19807 7589 3780 4996 7056 2933 8056 6095 3417 7092 10215 10045 8933 7491 150.0577 150.0668@2.2406666 2482 2520 3846 150.0668 150.08@2.371 3854 1330 150.08 150.082@0.7845 3861 3968 150.082 150.0851@2.2512002 2292 1982 10299 23484 4091 150.0851 150.0872@0.814 4145 150.0872 150.0887@0.88600004 1793 7916 2536 3080 150.0887 150.0888@0.7826191 4632 4522 5352 2302 3836 2946 4035 1830 5915 3123 3858 3705 2548 2669 3286 1849 4271 2490 2351 2292 2916 150.0888 150.0889@2.804 5014 150.0889 C7 H10 N4 2453 9390 9593 8750 6235 11067 2617 8040 9524 3645 5346 4641 5835 3646 5365 5225 7225 6561 5771 8508 5525 9549 10977 6615 5989 2079 5617 9246 9035 3080 4309 11417 13231 3443 5581 6597 5653 2575 3724 11953 5379 10133 2511 10814 5058 9377 8349 10600 7031 6415 2017 7814 3971 150.089 150.0891@1.93 2360 150.0891 150.0892@2.8331819 2274 3196 8077 8752 4507 7710 5951 4794 7958 8075 5565 3192 4089 4002 9452 5877 3675 7219 3652 3804 4196 2848 150.0892 150.0892@1.8055999 2460 35450 4258 31796 3243 150.0892 C6 H14 O4 104296 98439 90316 88223 75028 76830 68053 73489 77042 79910 106844 100749 79086 74252 92513 93574 104309 98183 118068 119751 97541 106606 112423 111005 118073 123336 90061 72411 90084 93679 97475 97235 122081 122689 97147 102546 99515 98235 153716 118122 92224 104407 67921 113890 87639 84206 100190 99312 73399 71399 136275 151437 79142 82526 200012 197527 97573 97892 159130 159711 87897 88083 98029 103003 91491 38582 88876 91320 102501 101293 107277 108877 88307 88244 88450 86892 168401 440186 188805 104442 112155 108522 89375 87252 137621 138597 102662 102511 115621 119759 88720 87863 150.0893 150.0893@2.9466667 1786 3429 2975 150.0893 150.0894@3.9345 4952 2137 150.0894 150.0895@0.6855 1746 2263 150.0895 150.0901@1.301 12321 150.0901 150.0906@1.5358334 8401 8706 22018 22642 15862 14652 150.0906 150.091@1.2110001 8272 4065 2238 2315 6309 150.091 150.0912@1.2474614 3184 3704 63558 63381 11397 10750 10275 8336 77782 81123 1952 9733 3976 31574 33177 117474 113499 3578 5370 104357 106663 2827 5899 8115 7008 150.0912 150.0916@2.1833336 184827 191581 54647 58887 18867 17737 66262 65903 245662 227747 78766 78178 7171 6144 32502 19723 117580 114652 154877 155356 80196 80673 34899 21207 221448 217174 211262 51478 54146 150.0916 150.1348@1.0565 9924 9873 2456 11235 150.1348 150.1355@6.4014997 2644 3691 2506 2110 150.1355 151.015@4.0297275 4446 5422 5198 3449 3654 3563 4174 3529 3006 3414 3384 4576 5122 3959 24425 4374 4144 3456 3779 2928 4430 4378 151.015 151.019@3.5375 12291 15644 151.019 151.0272@5.816 2833 6510 151.0272 151.0296@1.272 3689 151.0296 151.0305@5.8143997 1920 1677 2263 2957 1844 151.0305 151.0313@1.27 3192 3747 151.0313 151.0394@3.7524998 2546 3954 4156 3340 3781 4059 151.0394 151.0528@4.061667 3366 3705 3930 151.0528 151.0537@3.2926667 2257 2650 3098 151.0537 151.0566@3.291 2707 151.0566 151.0614@6.283 3311 3431 46041 3478 2920 6892 3343 3473 22750 24626 11976 151.0614 151.0635@5.6405 6085 6218 2308 2358 151.0635 151.0636@0.83795005 149079 147709 615098 606701 29259 35311 134046 134422 123128 115849 5746 6946 110446 113282 41315 37034 34547 224486 229659 151.0636 2-Ethylisonicotinic acid 3307 4494 15539 15841 20331 20953 26302 27354 18215 17511 24021 21944 21321 21710 49638 49901 4054 3990 9569 9332 17663 15749 59341 57775 68675 71765 7641 7714 22532 22154 21846 21979 10397 9169 15536 16170 3389 28044 27546 14492 12973 15681 17471 8679 7850 38951 35576 3721 4724 15835 15205 23324 22212 76280 78838 14656 14743 7327 6715 12187 10985 14785 13859 4277 5118 5339 5215 23046 22294 40599 40542 151.0637 151.0638@1.2120001 120827 123222 542615 544080 6030 4289 76036 78252 187531 191399 2058 331499 328643 2949 34837 33042 1809 479033 477908 92006 86152 85893 475950 481199 151.0638 151.0647@0.895 4519 9394 151.0647 151.0656@1.3066249 6306 2248 2133 2530 3525 4312 2201 151.0656 151.0687@1.7235 2805 3141 151.0687 151.069@3.025 1973 151.069 151.07@1.1949999 2122 2140 151.07 151.0815@1.594 2503 151.0815 151.0875@1.665 2881 3457 151.0875 151.0887@1.359 4453 151.0887 151.0914@1.5818571 7109 3527 7511 6274 1901 7154 6354 151.0914 151.0943@2.27375 6276 6901 3394 2456 151.0943 151.0945@2.179 16972 151.0945 151.0974@1.20625 3808 3655 3519 9187 151.0974 151.0982@1.4337499 5199 5410 9103 6801 151.0982 151.0996@2.60025 16392 17264 6145 7116 151.0996 151.1182@1.2562499 1838 2635 4087 5653 151.1182 151.1667@1.1916667 1443 3043 3353 6138 6496 10097 10286 10051 10944 151.1667 151.1672@0.838 11941 11817 2912 2160 151.1672 152.0347@1.845 1732 152.0347 152.0355@1.8575 2865 1414 1314 2082 152.0355 152.0548@3.151 2893 2944 152.0548 C7 H8 N2 O2 13947 186680 178820 63709 161271 165765 62918 88776 230002 232601 191189 173267 110588 107914 125442 127948 172430 157890 183745 209797 196461 179981 8552 99941 134661 130708 242578 255109 73831 107538 132441 163859 176188 194909 160480 152032 126120 126794 134431 126481 138804 136473 204673 186517 99561 102075 11716 352745 266026 143486 147076 84661 100490 191116 181074 78332 92832 125961 127825 110900 111403 121739 404037 117204 112324 187222 207853 173529 435089 466504 277890 299877 118823 202130 186666 152.0564 152.0576@2.041227 3065 3688 4649 4547 9310 88022 4289 6534 6664 3559 22865 326900 9601 6197 9489 3302 3515 4655 5526 5101 3646 12498 152.0576 N-Methyl-2-pyridone-5-carboxamide (Nudifloramide) 166719 297807 221631 236051 582562 589117 951625 958543 738967 734358 60951 69423 184010 179950 146915 150913 133802 108123 360973 364425 207231 217663 125634 131508 135145 137658 218580 219098 231212 216129 743351 718564 263747 277854 145755 139338 164098 177603 344288 336447 151342 130812 207005 192892 221816 210696 184952 186103 141171 139096 140728 139987 159412 154638 267768 259665 99527 99975 493468 471225 641906 907732 358579 342221 125476 125117 271245 283740 126547 115594 122326 122213 138277 139144 150660 142502 943769 333664 527211 119988 128144 231723 191273 184433 568212 543932 306860 279981 158293 144535 176691 178912 152.0587 152.0599@2.4378335 30957 253113 13636 11280 10490 10065 4335 35829 6025 10730 5731 16451 152.0599 152.0605@1.2904999 4934 5219 152.0605 152.0624@2.104 3580 152.0624 152.0638@2.474 17698 7114 3290 6653 8882 5125 4137 8113 152.0638 152.0663@1.295 4481 152.0663 152.0786@7.741 3076 3409 152.0786 152.0856@1.1395 10117 12481 6649 5938 152.0856 152.0874@1.13025 4004 4522 4363 4966 152.0874 152.0888@1.4355714 10618 11980 13458 16290 10837 11572 20104 152.0888 152.1011@1.212 2884 152.1011 152.112@1.2133332 2702 1686 2167 152.112 152.1166@1.2016044 4502 1865 3140 4780 4933 12701 4261 2559 2655 4519 4776 3500 2815 17925 11577 6128 2792 4100 5613 2744 2093 2895 8945 5515 4034 5449 3910 3831 3915 14534 6130 5098 8387 3387 3784 3541 2299 3896 6380 6262 6444 7087 3479 2716 3171 3689 4887 152.1166 152.1166@1.3358182 6890 6707 9973 43559 13179 14925 2859 5663 6049 5245 6469 152.1166 2-Methyl-5-isopropylhexa-2Z,5-dienal 13896 8993 2042 24881 23408 7847 7415 8668 7770 15951 20808 28098 15667 6826 9158 10916 11814 8031 27214 6232 11020 5961 7932 6437 3733 13931 13515 11444 17249 11956 13542 6543 11549 11347 7959 10157 12547 10166 9481 6759 4490 14795 14143 6618 19022 7712 7183 6589 5414 5241 5241 15501 13117 35000 11763 8865 9705 13908 14331 17968 20161 12906 10431 8383 6559 35656 15036 12421 6393 10087 5193 6856 8120 27682 7833 26590 9248 11330 5747 6031 10821 5087 9951 4129 3945 8343 7485 6345 9943 C04435 LMPR01020039 152.1199 152.1199@1.3069999 33320 4187 152.1199 152.1312@4.3905 3680 4260 152.1312 152.1603@1.982 3125 4245 2863 2227 3125 3381 4546 3277 1605 5827 6857 5635 8604 2440 2207 7695 7490 4072 5457 152.1603 152.1629@1.9191455 4130 4854 4113 10764 7633 20441 21078 10661 11418 1724 2913 8054 7284 3342 3786 3573 4063 3329 14008 10618 4435 5068 2415 10174 5877 3075 3526 4190 2715 2991 2423 4668 6012 11297 9986 13552 19154 6534 5511 5094 5056 14653 3696 12600 3993 3760 2898 15339 15675 6576 5468 2302 3120 3330 152.1629 152.1632@2.404 1755 1924 152.1632 152.1633@2.3625715 4953 6162 13138 14263 6718 6780 3278 6247 5693 5558 4720 5315 3375 9883 9894 7317 10449 4764 4511 3462 2348 11330 10807 3450 13556 13204 7287 6201 152.1633 153.0435@3.1385 4316 4506 153.0435 153.0518@6.964667 5239 1617 2298 153.0518 C6 H7 N3 O2 25883 11678 27236 25812 33733 33469 88859 89590 20402 62018 35865 48064 47494 23777 22718 34164 33290 17492 17654 21740 23889 16965 19674 28714 28978 29371 28626 16893 16821 23667 25756 25127 25035 20712 17716 24646 24748 29954 29243 20684 36533 25049 23387 28691 27241 14326 13782 19656 18299 28532 28662 12887 11851 16719 15578 21473 21696 61311 78273 31943 38381 31699 31052 18510 17817 17609 16285 20020 18692 38698 40264 36653 35107 17216 16482 25972 24816 15828 14659 42563 75281 40507 8299 18712 42356 41950 26792 28642 24820 25863 153.0541 153.0541@2.442 8500 153.0541 153.0544@2.13725 7380 5988 24166 6381 153.0544 153.0546@2.492 7283 153.0546 153.0592@1.996125 6602 7040 10313 11463 7461 18362 37642 29342 153.0592 153.0598@2.3414 35629 38008 64649 6383 5972 153.0598 153.065@3.498 6000 11021 153.065 153.0667@3.4787076 6654 7235 4383 4588 3954 4721 6614 6553 3662 4381 6239 6205 5457 5311 4901 4022 4412 4187 5379 5066 4109 3402 5310 4428 4571 4178 7258 7145 5825 5706 4927 5482 5901 5646 5211 6131 2667 4444 5034 4330 4831 4571 6902 6750 5969 5656 4144 4137 4465 3865 5034 5595 5666 6480 4706 6959 6286 6029 5905 5848 6023 4949 6007 6342 6309 153.0667 153.0692@3.4782002 5111 4342 5559 4500 4416 4442 5287 4418 6954 6734 153.0692 153.0765@5.7504997 43873 25132 153.0765 153.0791@6.747 2025 153.0791 153.0799@1.8095 5239 2547 153.0799 153.0808@1.2760001 7038 7376 7009 9488 2153 2333 2144 2218 2790 2951 1791 2048 153.0808 153.1147@2.876 15395 153.1147 154.0193@1.136 2159 154.0193 154.0384@2.1903334 31412 11666 48513 154.0384 154.0385@3.4225001 4739 4943 154.0385 154.0386@2.51 34037 154.0386 Acipimox 67775 77851 69088 68249 76513 76323 162022 194802 68364 67921 82770 85418 82503 83066 47033 52158 49111 60491 51442 53635 47453 45085 51759 54049 50641 49337 67193 63428 42039 39451 73499 75933 50511 47972 4154 51143 53787 55448 71721 73250 57652 64374 39198 40044 58116 61107 44653 40319 49738 48759 57513 57055 40014 41121 44581 44289 51009 50872 139589 139465 58402 60006 55149 58456 42252 38709 54356 53749 45243 42541 76885 76543 44045 46223 50772 47820 80372 79665 37131 36463 74172 74735 74833 57141 60167 97285 96348 62998 62069 75036 76864 154.039 154.0468@3.43575 10841 10329 6082 5989 154.0468 154.0602@2.3246667 5470 5447 1464 154.0602 154.0638@1.1200713 22140 21864 6906 7190 20055 4697 4358 4012 2305 4404 4942 12745 13973 2852 154.0638 154.064@1.086 5790 18892 154.064 C7 H10 N2 O2 136667 3929 137303 135404 140815 136324 132143 136437 134692 138160 133586 134942 130969 4130 138337 139568 3524 127356 136523 133038 127983 127256 139802 141074 136095 141347 141684 139860 141513 143562 138032 136419 121943 3548 128387 128400 125835 122026 130528 129983 128380 3695 118803 124471 126213 128875 132897 128865 138376 139830 157529 155745 132469 130871 150524 147825 143058 146446 145020 145164 139017 135484 120875 123190 137178 140876 3212 132956 122529 121827 144292 141056 141023 140583 133694 134962 136357 134194 136492 139706 139571 144806 3723 131572 138993 142632 144440 145119 154493 152453 137141 131988 154.0726 154.0733@1.123 3004 154.0733 154.0744@3.301 8656 8161 154.0744 154.0746@1.924 2548 154.0746 154.0747@6.0336304 4648 4450 7740 8353 2992 2714 3421 2955 8816 8830 3372 3128 2286 2857 2665 2661 2292 9112 9456 2010 6168 5875 4393 3685 4091 3307 3905 154.0747 154.0754@1.6500001 15280 12494 154.0754 154.0755@1.496 5074 154.0755 154.0988@1.166 2507 14797 2516 6488 3747 3408 2196 2268 154.0988 154.0993@1.1952727 3594 5236 36607 34334 3211 16884 220293 216006 4063 4048 3571 17627 140186 141739 3371 2326 9102 2729 3889 3913 5002 2584 3397 2891 2199 8021 6222 3325 2666 2949 2156 4037 5947 154.0993 C9 H14 O2 3072 3193 3180 7781 5920 12695 6002 3103 2860 4492 13734 13783 4759 2653 6274 7363 3631 3778 6591 4423 2564 2431 6366 5143 7265 14101 3544 5229 4200 4977 4063 5086 7212 5175 6978 7087 3780 3356 2945 2361 2726 3120 5099 4894 4709 4611 2044 4025 5820 8800 4282 3030 4953 4653 3186 4001 4241 2044 6719 2261 2228 2396 3106 5958 3722 3464 3340 4953 3411 4540 154.1031 154.1058@1.0664667 16679 3078 5946 1942 15740 4764 6355 1498 20586 11557 16263 25865 11789 4139 7271 1504 4136 2730 5025 6259 3975 7875 5445 2693 12865 6180 11053 5172 12530 154.1058 154.1081@1.575 4277 154.1081 154.1083@1.732 5752 4995 154.1083 154.1088@1.0595 3070 3921 154.1088 154.1198@1.102 2233 154.1198 154.1251@1.096 2883 154.1251 154.1294@1.0563333 1633 1345 2601 154.1294 C9 H18 N2 4422 4825 6839 6501 3278 3015 4894 4584 10703 9746 5552 4928 15943 15642 4992 4874 3613 3803 5175 5501 4401 4857 4998 4722 3368 3044 7035 8661 4256 4552 4783 5438 2616 3070 21141 20331 5348 5157 3222 2921 3844 3594 3820 3761 154.1469 154.9662@13.274 2053 2631 154.9662 154.9669@13.383 3991 154.9669 154.9671@11.163 4556 154.9671 154.9672@13.262 1530 154.9672 155.0344@0.8046667 5435 6144 4117 155.0344 155.0349@0.8015201 3740 4667 4865 4936 6578 6456 5637 5399 3544 3675 6875 5586 5100 4764 4046 8477 4838 6564 5953 4574 5443 2999 3976 5903 6391 155.0349 4-Hydroxybenzyl cyanide + 6.59952 9553 9498 8896 10806 11476 3615 5373 11848 5821 14221 6069 11209 5880 11072 5462 5799 9242 4668 4448 4959 4481 1221 5161 5392 4634 5656 5966 6411 13087 6584 5673 8171 4817 10536 10401 5929 5303 5609 6748 10343 5362 10815 4792 5652 6001 11012 6495 10644 11373 5958 5781 11034 155.035 4-Hydroxybenzyl cyanide + 6.609466 16760 16807 4965 5244 14433 12649 13758 13302 4184 9395 15849 13771 5809 4610 5034 17203 11411 15536 11428 5307 5884 11674 6977 12956 15810 16874 5638 9927 4779 11053 6783 10496 15626 12935 15488 5576 13715 14005 11713 10717 5938 10110 9670 14549 14723 16545 9714 10071 11706 12136 11546 15681 9742 5607 10740 16542 16683 10359 11964 14724 14143 5364 10089 6110 10420 6053 9490 11482 11519 10658 15342 6848 11628 6056 8878 5296 11152 10683 11073 5799 11368 6409 5963 10897 14605 8027 15024 15451 10764 5927 155.0352 155.0361@6.654 2379 155.0361 155.0529@2.1560001 4321 11730 155.0529 155.0561@2.0639472 12287 4772 3751 3752 4424 4465 11525 3729 3343 4308 5364 5870 4523 2807 4728 4148 4768 4254 155.0561 155.0567@2.261 3047 155.0567 155.0582@2.081 3424 3590 155.0582 155.0943@1.668 2422 155.0943 155.0948@1.5827998 14377 22565 10423 17508 17940 8341 9263 6104 3959 4699 10979 10502 33316 21113 2167 9603 15028 4456 2702 4181 7909 5037 22259 21741 7700 13023 6202 7356 8657 12598 155.0948 ARECOLINE 39310 25405 7611 17197 17941 32528 24593 4861 11016 12172 2723 5183 6615 10591 51337 52983 67774 82744 6857 4884 5492 15471 8620 39288 41722 4041 4097 10658 4970 6729 32579 34227 6239 4049 5376 4053 5286 9035 6354 5884 15849 14673 16210 18782 C10129 155.0949 155.0951@7.45275 2941 2853 2467 2989 155.0951 155.0951@7.352 3191 155.0951 155.0955@1.2105186 9508 3470 3062 3231 2385 4719 4485 13920 12877 3885 3811 12894 19110 5635 6135 3178 4279 4272 4468 5032 4708 2161 10985 6854 7214 6417 11863 155.0955 155.1043@1.2095001 6540 5436 155.1043 155.1083@1.208 19968 155.1083 155.1132@1.214 2256 155.1132 155.118@1.209 14086 155.118 155.1224@1.211 6481 155.1224 155.1232@1.227 2330 4945 2450 2393 155.1232 155.13@1.1300714 31951 29745 4532 4350 2795 2903 3249 2468 11033 10806 3712 2986 27037 28196 155.13 155.1301@2.316 5595 155.1301 155.131@4.705 3028 2782 155.131 156.0502@1.6305001 7646 8492 156.0502 156.0527@1.583 2181 156.0527 156.0652@2.2465901 6379 9491 6634 7011 10646 11459 5335 6704 5928 5754 8096 9059 3507 11516 12384 4406 5166 7375 8638 4745 5379 8597 8450 8535 8534 8329 6951 6378 4812 5790 5360 5176 4776 8569 8831 7990 21754 21449 156.0652 156.0653@2.9486034 6826 6847 13690 15601 14339 14396 9659 10775 7745 7964 17146 17433 9374 9972 8544 7959 3820 6518 6886 23253 26054 4790 4390 27402 25405 5399 5389 7213 7920 9038 9883 9958 10751 5067 5252 11449 10378 11743 12105 12542 12247 3196 10752 11415 6734 6862 5302 5031 7073 6478 5027 5616 4919 4950 10176 9624 9806 28003 25468 7513 7833 5525 5223 156.0653 156.0655@3.005 3983 156.0655 156.0688@2.15 2203 156.0688 5-oxo-7-octenoic acid 3061 2764 5790 6671 3133 9452 9735 3042 3190 2851 3784 2063 6456 5778 13937 12473 4998 5488 5287 4360 2149 1654 3720 7973 4845 5479 3574 2455 5062 4503 2306 2506 26962 3195 3693 3311 2963 10266 3559 2568 3295 3412 4791 3042 3891 156.0775 156.0796@1.25 3126 156.0796 156.0897@1.5513334 9800 8307 3853 156.0897 156.0962@1.643 4430 4849 156.0962 156.1076@1.1775 7983 11745 156.1076 156.1127@1.515 5396 7189 156.1127 156.1138@1.0858889 2992 2797 3439 2389 4698 4271 4312 5343 4006 156.1138 156.1626@4.061 2372 156.1626 157.0653@1.1015999 2313 2994 17280 3332 2038 157.0653 157.0713@5.2605 7343 20788 157.0713 157.0726@2.905 3982 2610 2376 157.0726 Ethosuximide M7 6860 6686 5481 5420 9796 10194 10840 9956 7269 6197 7271 8815 6500 6657 8208 8073 5284 5706 4464 4924 5032 4379 5826 6257 5981 5097 4507 4621 5201 4444 4071 5000 5619 6102 6490 7884 7776 6236 6941 2986 7130 7048 6258 5569 4867 4975 5011 5668 4228 4174 4576 4126 3743 3553 12052 12231 3647 5955 6399 4193 6312 6046 2737 4424 4912 5430 7998 8138 5421 5686 5733 4204 9338 7819 4657 4178 4079 7406 157.074 157.1092@1.2245 3256 2514 157.1092 Tranexamic acid + 6.7028675 27216 29113 25769 25435 96176 96665 71294 69965 61024 62509 78993 76475 48382 48426 32178 33605 12169 12464 28465 27393 62545 60366 91986 95370 39987 40145 81694 81571 73617 73709 62577 58202 23961 24029 13546 13995 51245 51505 52657 45382 48784 50412 55285 57042 52564 51057 42497 43735 21327 21652 54950 55751 24123 24783 35241 34328 61473 62442 48639 48914 25893 25307 32464 32912 74027 75594 37456 37694 22619 21325 65235 66550 19789 19456 28869 30125 66902 63227 23578 24898 37710 39209 38674 39073 41954 162271 160489 46733 45293 31128 32271 C12535 157.1106 157.1107@6.7405 7034 3407 157.1107 Tranexamic acid + 1.6364517 18719 19401 22082 30065 37275 33591 18295 20286 45375 40466 14420 18145 14486 18172 19266 12434 13755 8499 34277 22505 111399 103249 25987 24722 46446 45864 8935 7757 4082 3315 10202 12658 32758 29171 17709 19598 15605 11689 96699 99471 13631 13991 17760 14824 3708 9789 4010 130774 125818 7782 138060 139639 8008 7778 4180 11302 9122 7970 4625 13412 11660 C12535 157.1108 157.1108@1.6884545 9932 6789 4728 5368 6012 11259 26823 27448 4230 7762 8656 157.1108 157.1108@6.236 2233 157.1108 Tranexamic acid 3249 3354 3547 3568 2838 3062 12735 13580 3904 4188 2917 3178 2457 3753 3737 2820 2370 3745 3639 3626 3350 7246 7350 7355 6979 2692 2776 3436 3170 2874 6124 5687 3527 3276 1926 2354 4191 3899 1894 9465 9904 10843 2584 5084 4210 4215 2504 5313 4769 5395 4486 5534 5350 C12535 157.1109 157.1119@3.6564999 3790 3137 157.1119 157.1467@4.96525 4909 4945 4194 5031 157.1467 157.1474@7.473 2299 157.1474 157.9561@5.4642825 97384 100705 106083 103371 106132 107372 111168 111885 106569 102635 100645 101194 107676 109068 105611 105682 105335 106103 107217 109584 103794 105306 108206 108704 113095 112101 114321 111868 115220 114518 97070 99376 104780 103912 116409 115213 112773 113301 117004 115256 103874 108027 100460 103487 110514 109610 107553 107851 113242 115211 113294 111959 103762 105826 109162 109665 110584 108645 111546 114116 110291 110171 107002 109965 120926 123601 107533 109120 102434 100308 108912 111738 116071 115805 109022 107752 109532 109306 109854 105909 105807 116195 116713 116662 111092 110517 115393 112240 116223 115814 107086 105755 157.9561 157.9986@5.578 3801 3890 157.9986 158.0207@2.7179518 12068 9049 5318 5249 2344 4875 4459 2487 15621 20276 60621 61214 34285 32088 5015 5619 2696 4195 3796 16005 11536 4724 4597 10559 10521 10392 9025 3348 2710 5824 8561 31869 26879 4462 5292 17961 19710 8232 8703 7187 7479 158.0207 158.0214@2.812 2376 158.0214 158.0473@2.1 8097 158.0473 158.0511@1.7620001 5157 6091 3776 158.0511 4,6-dioxoheptanoic acid 3358 3292 3234 2747 4395 4787 4578 4783 2841 3188 2339 2065 3793 3512 2769 2587 3949 3884 1964 1997 3807 4053 7735 7978 2336 3294 3369 3326 3729 2628 2316 3428 3205 3292 3320 2928 3251 2583 3877 4022 3144 3045 3068 3592 2976 3041 3443 3752 4130 3984 2841 2723 4016 4354 2344 2732 2613 2900 3101 2261 2388 2286 4349 4213 1942 2811 2646 6238 6398 3182 3397 3028 3096 158.0585 158.0629@4.1914997 27895 26260 158.0629 158.0672@2.3500001 4698 4597 6849 158.0672 158.0677@2.249 4353 158.0677 158.076@1.6630001 5918 6160 158.076 158.0776@5.507 3140 158.0776 158.0781@5.4967675 2588 3322 3626 3433 2423 2476 3097 2047 2893 2653 1787 3492 2496 1796 2577 2548 2468 2552 3931 1988 3128 3215 3148 3599 2799 2799 3408 2083 3122 2619 158.0781 158.0962@1.242 5330 158.0962 158.1001@1.213 5566 158.1001 158.1088@1.1665 4992 5345 158.1088 158.1095@1.7036667 2872 2125 3501 158.1095 158.1422@6.111 3830 158.1422 158.1423@5.7563753 8186 4386 5937 5483 11654 11613 2433 2627 158.1423 C4 H5 N3 O4 4023 3586 2840 2973 5407 5063 5130 5021 7166 7046 4663 5185 5412 5307 6634 6282 8196 8246 3249 3682 8466 7832 4041 3987 4929 4946 9334 8886 6346 6767 3955 4550 4553 4265 4496 3965 6091 6053 7440 7297 4505 4965 3623 4069 5651 6060 5375 5746 5518 6367 4324 4615 3474 3965 5193 5412 5045 5157 3198 3224 4544 4937 8104 8049 4023 4341 5253 6344 7874 7471 4185 4659 5039 5730 4712 4728 6016 6018 4684 4286 4674 5121 5489 6041 6059 4344 4469 9160 8799 159.0275 159.0292@5.444 7601 159.0292 159.0301@6.689 5172 159.0301 159.0487@4.6105003 5761 5302 159.0487 159.0688@2.5092854 5414 5386 3105 2564 4223 3990 5429 6510 11502 4483 4083 4953 4077 159.0688 Indoleacetaldehyde 3307 3243 9290 4574 6474 5641 2513 27532 29737 7922 4234 5278 5044 2655 2384 6923 6840 11632 11951 10317 11440 10559 10427 29284 28238 8885 8307 11407 11415 2195 6084 3239 2184 26696 26278 6083 6025 HMDB01190 C00637 159.0695 159.0857@7.4715004 5373 5588 159.0857 159.089@3.2375555 4234 2509 8414 30112 24727 9712 3944 39110 5446 159.089 2-Methylbutyrylglycine + 2.0774822 16776 19298 21420 21192 5344 70536 16837 7719 7767 10354 5744 17958 18986 17494 16481 3454 5278 4737 5818 5875 5156 5367 18591 16969 2079 5449 9875 10942 14557 14619 14008 12748 10632 11286 19042 18262 7400 2978 20947 21020 15218 13857 6140 5713 46091 48309 6662 6441 6319 5329 8979 9270 10214 9943 8385 3787 40542 43606 10091 9308 18756 18944 12918 11569 7767 7632 6300 6308 5631 5287 6361 1643 30773 30131 30108 4961 135797 133045 7997 7840 55842 56569 HMDB00339 159.0893 2-Methylbutyrylglycine 5895 6641 12322 11885 12546 12086 5535 29159 29140 18592 18824 4332 4560 10884 10208 3265 7111 5119 5306 27970 27799 36969 32287 16330 14979 10031 11011 7079 6851 6156 5765 6380 6969 4804 5397 11356 12372 18272 19007 5691 5908 11643 12148 4084 4048 34541 32656 7580 7535 3643 3610 4061 4779 4710 2792 3794 18381 12989 19895 18157 7726 7874 4473 6225 5924 4563 4823 5175 4890 14665 11973 16789 16467 11417 10379 HMDB00339 159.0895 2-Methylbutyrylglycine + 3.1958613 34764 30448 8281 8282 7792 8162 20729 21278 5898 11070 5818 20625 7380 7701 12924 11808 27681 27220 39289 37187 14836 8714 6475 11236 30109 31038 34164 31184 56076 55185 29925 24667 34692 7730 25743 25437 39529 42796 7753 5251 11808 11961 5050 5047 41842 15283 10747 24523 154153 152628 9753 12562 11621 9629 4381 56517 54430 9121 4775 7986 3777 65740 67244 27876 7368 6395 15150 15558 4512 9970 10954 11102 HMDB00339 159.0895 159.0896@2.0104544 17569 16388 56029 6868 3235 3679 57460 59203 5628 5732 5520 159.0896 2-Methylbutyrylglycine + 6.5558777 32705 31779 90997 93753 104722 107007 189537 191645 93372 94542 58364 59658 175335 172855 3387 2140 5447 4925 6350 6593 3067 11929 3586 2106 2603 3219 3000 108649 112824 43052 45781 13805 14177 30525 29840 42243 42114 8851 8970 17904 18173 9449 10286 37297 36186 65782 64229 24250 24759 22925 21398 23326 39242 38245 2632 164102 160343 HMDB00339 159.0901 159.0902@3.154 4515 159.0902 159.0905@4.9785004 2595 2293 159.0905 159.0906@6.638222 2270 1923 1803 3486 2466 11621 1947 1854 1964 159.0906 159.0989@6.649 1582 159.0989 159.1218@6.138334 2233 3156 2960 159.1218 DL-2-Aminooctanoic acid + 6.14302 4794 5185 22285 22776 5261 5779 10976 10494 6011 5284 3382 3101 6133 5428 3188 3199 2169 13715 14465 3748 3525 2964 2995 2694 1906 37091 37168 4389 3931 4279 4758 10166 10011 2670 2451 7056 10562 2993 2929 2760 2712 2771 3326 3326 3537 2493 2823 5362 5544 HMDB00991 159.1247 159.1257@1.4027499 7184 6230 7578 9186 159.1257 159.1258@6.8016663 4659 2193 2454 159.1258 159.1261@5.2764997 3125 2973 2128 3476 159.1261 DL-2-Aminooctanoic acid + 6.892978 4956 5019 7694 6440 9161 8708 5195 4626 5602 5150 4463 5066 3051 3499 6016 7177 5558 5253 8846 8091 2371 3142 9181 10917 4357 3890 7099 6665 5888 5813 6160 5413 6084 5749 3872 4172 4582 4942 8065 7417 5089 6153 3242 3075 5574 5525 5265 5219 9559 11063 6913 7193 6148 6195 4238 3620 6042 6428 4471 4378 4218 5463 6622 8173 4712 3583 5055 5724 4927 5237 6129 5846 7162 6194 11437 11941 7717 8190 6196 4712 6383 11211 12086 5896 6686 6029 7278 HMDB00991 159.1261 DL-2-Aminooctanoic acid 256575 261460 475541 473021 415572 414025 850442 855939 377679 377813 486034 484222 508911 508088 497615 503828 323407 324874 460257 468887 280468 284149 408727 408473 980176 983918 531013 533465 434073 432171 279993 275790 310534 312000 210124 209120 443440 434739 640468 633674 358262 366115 443776 446549 417403 412456 188796 190798 325697 326374 339884 342821 297826 300229 713362 697193 434161 437721 261301 264972 496934 493915 346177 353014 311938 313087 327335 333660 158497 156353 538844 545328 375361 378874 318613 312342 824063 837129 209025 210680 288143 291642 288843 369422 364315 870299 839742 548995 543988 359605 350665 HMDB00991 159.1267 159.1738@4.8320317 19088 12686 4961 8820 15599 14408 17515 9022 13069 6025 15060 22852 2857 16788 9547 19176 13747 17852 15046 10543 7450 4951 6554 9376 18501 8167 16454 15322 5927 19062 17143 159.1738 C8 H21 N3 42448 43046 22912 43258 43106 32529 41035 44837 42918 43734 27567 25088 17512 34015 29339 30789 15987 28813 14839 9700 10825 29139 16692 11501 5045 26096 26878 27285 23649 45292 41015 41160 43769 20106 40014 37969 38086 19507 38163 25313 22004 10502 28906 26244 21138 15075 14048 27718 13556 27092 5512 10777 24084 6549 5407 20415 26237 14319 39640 38945 36611 35673 16414 15258 36405 14005 19215 35244 23436 5113 25740 31189 27549 11158 28832 30292 24783 24664 21386 25108 21447 24409 159.1739 159.1741@4.848 3678 16778 11866 3887 159.1741 160.0122@3.097 5186 160.0122 C6 H8 O3 S 2565 2641 2267 3561 3157 3336 3162 5318 5787 4304 4740 3817 4293 5580 5093 5521 5092 5879 5938 6916 7293 6546 6986 3190 2359 2245 2731 2551 3267 3341 3965 4012 3920 3543 4187 4183 5030 4651 7140 7248 4067 3936 4159 4544 5020 4899 5248 6081 3078 2942 2911 3166 2939 3009 7208 6586 2848 2569 3888 4508 5453 5233 5738 5360 4868 3674 4972 4320 4413 5042 6771 6506 7034 6645 9224 9248 5950 5960 5926 5486 160.0198 160.1074@1.203 14037 160.1074 160.1187@1.0550001 10037 11284 160.1187 160.1228@1.0726666 10306 10912 3629 160.1228 160.1567@8.886 3267 160.1567 160.1573@8.857818 2349 3810 4686 3979 3274 5635 4485 6081 2388 5046 5685 5047 3699 4182 9346 5129 5143 5018 4744 5452 4406 5801 160.1573 C4 H7 N3 O4 5670 4843 5188 5866 5196 5335 4644 4321 5590 6292 4804 4442 5132 5537 5336 6900 7196 4345 4462 9758 10522 4160 8542 8949 9642 9195 8773 8470 5192 5734 3373 6384 6241 4297 4750 6500 6586 5408 5681 10291 10143 4941 5445 8611 8067 7686 7973 6553 6376 6549 8479 7645 10948 11178 7366 6899 5731 5386 4580 4560 7566 8949 5266 5976 7707 7098 5648 3400 6760 6647 7429 7435 9755 8953 7052 6988 6063 5991 9046 9388 6747 6872 5503 5466 7177 6645 161.0434 161.044@6.0264997 1411 2315 161.044 161.0498@2.9977503 4289 6493 4577 5584 161.0498 161.0573@3.01 3293 4968 161.0573 161.0635@2.981 2630 161.0635 L-2-Aminoadipic acid 24359 14826 122837 128516 3925 8271 58856 17058 64517 67803 19943 30315 13294 14464 10780 10023 10812 4810 42280 44250 81766 88466 59952 55150 18474 16295 8766 9959 4233 13139 6056 5028 3764 5366 10979 11193 10866 12227 8894 17092 17071 C00956 161.069 161.0694@3.2766 12041 6722 21245 11027 5558 6838 3956 9002 8676 5515 161.0694 L-2-Aminoadipic acid + 2.5918813 9083 6877 7934 8086 7457 10421 6464 13413 5974 6644 9464 6130 9649 8868 2960 20136 6774 3030 6142 3082 10341 6288 9055 11698 8880 5190 10001 10093 4637 8501 9363 8715 2510 7916 14169 11788 19408 7451 17306 19622 14488 6779 C00956 161.0696 161.0696@2.6736429 7211 4300 7640 8674 8278 2226 8216 13828 6735 5476 4483 2115 5172 6329 161.0696 161.0697@2.78675 4214 2520 5792 6818 4024 2372 2259 3314 161.0697 161.0848@1.209 373818 382042 161.0848 161.1054@7.614 54409 161.1054 161.1055@7.62775 4137 192328 142328 142742 161.1055 161.1057@7.762308 2998 3541 3477 4767 28024 29626 2242 3479 3706 176154 2909 202797 46663 161.1057 C7 H15 N O3 2476157 2513447 2669228 2687418 3124719 3078623 4397246 4469051 3490081 3537717 3442198 3437160 3827457 3790394 2075362 2091208 2999885 3375042 2888966 2899759 3520780 3489144 3138016 3110133 3428000 3644542 4655953 4631757 4026986 4042617 3853275 3872374 3079135 3057240 3600282 3646915 2824483 2800478 3754763 4074903 3847606 3891694 2971172 3008611 2487387 2523476 2786432 2838549 3710492 3714024 4486720 4490888 3653059 3771738 3284765 3266225 3439836 3415950 3738918 3949176 2227731 2243368 3621403 3647426 4174256 4187334 2839764 2858672 3228277 3170270 3680515 3742897 3323651 3472592 3137531 3141288 4922984 4918508 3834726 3823599 2803209 2858183 3038558 5669026 5386518 3764706 3502721 1938135 2234804 3551407 3536478 161.1065 161.1215@2.096 3997 161.1215 161.1216@4.591 5545 161.1216 161.1222@2.429 3711 161.1222 161.1917@1.2084999 7204 7012 161.1917 161.8739@7.512333 3421 1703 1842 161.8739 161.8783@7.5073333 3492 4582 2484 161.8783 161.8861@7.521 1307 2569 1249 3227 161.8861 161.898@7.5104284 2701 4408 2975 1111 3570 3632 3230 161.898 161.905@7.5080004 4352 2837 161.905 161.9233@7.5160003 1038 3119 2823 161.9233 161.9368@7.511667 2868 2831 2712 161.9368 161.9422@7.52 2232 161.9422 161.9467@7.5095 2327 4025 161.9467 161.9522@7.5096 2500 2152 4852 3169 2376 161.9522 161.9584@7.5125 3225 2727 1896 3765 161.9584 161.9634@7.533 2027 161.9634 161.9664@7.5060005 2018 2562 2115 161.9664 161.9754@7.508 2516 3277 1389 161.9754 161.9869@7.504 1797 161.9869 161.9941@7.505 3847 161.9941 162.0025@7.5105 3633 2032 162.0025 162.017@7.5056667 1975 2003 2851 162.017 162.0273@7.512 3224 1837 162.0273 162.0355@1.0755 2447 1749 162.0355 162.0447@1.067 1698 162.0447 162.0508@2.0108669 25004 24876 12505 5745 7138 9898 5287 9078 5945 7577 19867 18131 3420 2797 4747 162.0508 162.051@2.0063334 15721 10079 4223 162.051 2-Hydroxyadipic acid + 2.0358596 16127 13517 5729 6104 7822 8103 6974 7110 5197 5119 4310 9444 12058 9921 9003 7622 5085 4748 5203 4907 3018 4934 6769 7097 4417 5294 5930 7312 6412 8394 10196 8934 18682 5195 6888 4051 6050 5213 8396 3173 5856 4133 5446 4655 7214 5673 4584 8416 4745 3575 3891 12887 9997 2126 9140 7081 HMDB00321 C02360 162.0515 162.0529@3.363 42543 162.0529 2-Hydroxyadipic acid + 2.74419 133102 660833 31700 857336 48702 100879 16538 36246 127171 214755 46433 258170 222174 45585 203678 60194 20532 39618 142274 34726 26720 153009 72781 32168 292369 56523 751604 78304 244413 373847 154361 172611 37686 54070 53694 34513 63329 32167 36016 35371 63810 316490 311722 41543 36443 192190 271532 76847 162524 176674 290561 4369 19696 39095 99352 8346 284007 419830 HMDB00321 C02360 162.0533 162.0533@2.1606665 2307 6745 2190 162.0533 2-Hydroxyadipic acid 594182 653956 707406 14478 12283 8005 5795 155861 23479 11880 33221 7651 735281 19639 225665 275355 336282 135931 400462 21535 92376 573450 579591 97667 12033 312691 136476 84890 6699 692446 25957 101514 10158 19926 11334 610119 10800 102329 18820 394940 123650 10715 103440 437066 802133 721064 10583 114369 129683 524465 572022 20724 266914 15451 92510 358450 87658 613820 581418 9818 827116 39316 48502 198440 791748 909534 453749 470270 476414 59553 HMDB00321 C02360 162.0536 162.0536@2.6482728 436259 127494 94492 160116 154278 68875 247993 287357 193241 263310 108249 303771 352013 385307 123740 74413 147842 70030 17374 560201 106208 103527 162.0536 162.0537@2.607 107120 265090 48771 162.0537 162.0546@1.7777857 5177 6069 10568 10386 7746 10512 4236 3839 4601 4355 13084 13562 13680 162.0546 162.0546@1.743 2610 162.0546 ISOSAFROLE 4128 4820 4880 5229 3177 3217 3219 3509 3985 3144 4231 2303 3739 3751 16063 16369 3874 3363 4166 4308 2484 1932 2953 3520 2569 2223 2448 3458 2516 2749 4110 4399 3390 3248 2447 2506 3063 3560 2969 2728 3821 2906 2464 2540 2946 2488 4256 7219 8047 3747 3305 2790 2172 3063 3173 4508 4683 3552 3072 2970 2637 2991 3316 3605 3280 3057 4185 3370 2249 2129 2683 2668 3404 2677 3347 3421 3356 3779 4127 15751 16055 2473 2474 3012 2837 162.0685 ISOSAFROLE + 1.0978807 4936 6967 6674 3226 2660 4702 3191 5997 4718 2003 2010 3893 2482 3375 4079 4290 3690 4122 3617 3610 3564 5385 4182 3343 3604 5062 4535 3695 3974 4092 4453 2858 3245 3337 3302 4612 4063 5375 6156 4369 3910 162.0692 162.0709@1.0852499 3384 2906 2855 3884 162.0709 162.0725@3.284 7583 162.0725 162.076@2.44 61386 162.076 162.0766@1.506 3158 162.0766 162.0778@3.003 1361 162.0778 162.078@2.1215 22529 30117 162.078 162.0891@5.8339996 2412 3431 162.0891 162.1165@5.175 2115 162.1165 162.1169@5.415 5250 5533 162.1169 162.1237@1.2063333 7856 4280 3542 162.1237 162.1259@1.1257037 2064 115540 117347 5099 6899 35975 34397 103165 112502 24986 27350 18258 18460 27364 26532 68855 72509 18999 18625 1835 1810 8992 9406 4789 6418 6627 6930 162.1259 C8 H18 O3 7041 6606 6128 6554 6903 1821 2422 4808 4861 9347 8817 4161 4272 8637 6900 158026 154979 8457 8048 4935 5745 6961 6455 49376 48635 102019 95604 6058 6135 13019 3816 9400 8143 4872 4463 4503 4810 4337 3678 14825 17498 37935 36656 5765 8554 7668 6411 6726 6118 140199 142373 4819 7136 25281 27283 6538 7373 10438 9869 4140 4525 7916 9229 3742 4255 6270 5728 15077 12796 11986 12461 6957 8792 6678 5109 6949 4757 5802 5353 8624 9205 10627 10444 10861 11362 8251 8187 6881 6521 162.126 162.1297@1.05325 9906 9478 3325 3436 162.1297 162.1389@1.04 4382 162.1389 162.1392@1.0525666 6592 7163 6447 3227 4534 4038 5955 6284 5510 4928 4673 4609 3206 5010 3463 3516 6118 5073 2539 6475 3567 3761 4400 14416 2644 8530 1650 5841 4148 4466 162.1392 162.1398@4.285 1525 162.1398 162.1414@4.2518334 98777 100681 110211 112387 82756 82183 162.1414 163.01@2.2585 10607 9766 163.01 163.0338@1.1145 6365 6235 163.0338 163.0565@2.548 3598 163.0565 163.0567@2.584154 2913 2532 6275 24396 19469 13275 5120 11378 6212 5103 7772 9620 7701 163.0567 163.0572@2.6429248 8617 7040 3862 4514 4969 11547 5186 24344 3679 14757 11942 7492 4858 2907 11125 15388 6998 12884 18920 2618 1936 10506 19037 26473 11539 9727 3952 19138 2287 11807 17156 7657 15723 1945 3119 4616 16366 18165 12995 3887 163.0572 163.0587@2.749 1447 4842 163.0587 163.0622@4.776 9116 10035 8498 12791 11401 163.0622 S-Methylpenicillamine 6344 5865 2999 2744 2473 7489 7792 4459 3764 5595 5438 5385 6961 2398 3990 3235 5463 1759 3675 3378 3132 2135 2415 6596 6213 4958 5073 9737 3575 4197 5076 5048 3389 4009 2676 5368 3162 2048 4311 4735 6160 2745 2289 2496 2495 163.0625 163.0635@1.856 10314 163.0635 163.0649@1.1696 1822 2627 3138 2542 2535 163.0649 163.0666@2.8941336 4348 6375 27848 29729 12419 13603 10338 2207 11205 11811 5022 5697 3980 3007 5571 163.0666 163.0679@2.8645 4929 7096 163.0679 163.069@3.088 3614 163.069 163.0711@3.9742 3596 2087 2171 3350 3011 163.0711 163.0737@3.9780002 2641 1813 163.0737 163.1208@5.8677497 3284 3244 2683 2949 3616 3268 3237 3076 3738 4608 4894 4645 4747 4676 7716 7166 163.1208 163.1366@1.5734999 2753 2433 163.1366 164.0301@0.73349994 3340 3443 2032 2114 2226 2323 164.0301 p-Coumaric acid 21082 22763 23782 22709 29044 27911 12655 13020 22128 22217 20768 22346 18171 18980 18639 18078 24357 24427 17573 17579 31610 31144 15945 16482 23367 22759 26638 26649 19427 19035 25453 26599 22745 22002 27204 26286 18473 18114 20776 20987 19348 20449 27359 26603 18748 18477 24523 25120 32227 30530 34801 35886 18425 19140 15024 14886 16678 17698 18794 18052 16108 16243 17239 18814 27329 26257 22528 21679 23895 23047 20212 20024 21838 20529 22695 21929 18714 18214 17844 24630 24676 23589 23025 23128 26513 25817 23965 24843 19563 17919 23604 22405 164.0481 164.0632@1.6129999 3128 2784 164.0632 164.0645@4.0662503 3724 3472 4553 4763 164.0645 164.0697@2.4384377 4084 3490 11390 7101 6443 6503 7601 7074 6411 9453 5397 9720 5708 13481 13405 6124 164.0697 164.0698@2.0246427 17138 2754 9483 15621 2635 12260 11966 2706 2909 2643 1947 2915 3136 2731 3217 12467 11600 2420 3518 2360 8197 4380 7564 11510 2891 3181 5358 11019 164.0698 164.0728@2.461 3911 164.0728 164.0738@2.032 2038 164.0738 164.0742@3.1675 5163 4475 164.0742 164.1031@1.2995 1501 4624 164.1031 164.1061@5.3322725 5118 4680 3967 5060 8277 5557 4122 3613 3167 1964 3379 164.1061 164.1061@4.779 4997 4835 164.1061 1-(2-Pyrimidyl)piperazine + 5.2760143 7833 1546 2332 9176 2616 8866 4164 9420 8749 9994 1842 9925 9566 9911 9123 5285 7275 9564 1690 9144 2374 9367 3523 7544 8621 8106 2511 8941 2881 2819 11628 5882 9690 9569 10049 4041 3062 6723 6072 9514 5858 3739 8629 8679 9458 4611 9388 7842 3711 5107 8220 11036 3769 10031 10153 10148 4597 9419 10276 2284 9659 5983 4215 1796 4098 6210 2312 164.1064 164.1066@4.9530873 5837 2521 6622 3064 7563 3969 7642 3766 4890 3976 2004 3888 4967 5309 5666 2405 4645 5753 2338 7851 2759 6013 4133 164.1066 164.1066@5.29 3063 2116 164.1066 1-(2-Pyrimidyl)piperazine 9081 11304 5651 6492 7454 3033 4446 9202 6619 5377 2980 3765 4659 3487 4135 3154 8981 5725 2858 5667 5524 4112 9552 5539 1850 8686 10553 4754 7494 5563 5923 3864 8706 6127 2928 8579 7118 7392 10561 9417 10181 7107 10269 3265 9709 3960 7888 3699 7089 164.1067 164.1106@4.78 3101 164.1106 164.1194@1.0534999 5863 3018 164.1194 164.1455@1.1845 1529 1634 164.1455 164.1503@1.1806666 1191 6953 3178 164.1503 164.1551@1.1836667 2096 2252 4923 164.1551 165.0352@3.8429997 27128 11514 12026 165.0352 165.0439@2.7470002 3867 4061 8028 31711 5193 2409 11001 7353 9835 13286 165.0439 165.0441@3.545 6785 165.0441 165.0444@1.204 4866 4992 165.0444 165.0446@2.8085 6167 8993 1871 5340 165.0446 165.0515@3.283 11259 165.0515 165.0523@1.3306667 6467 4389 4372 165.0523 165.0561@3.224 24174 165.0561 165.0624@3.068 3220 165.0624 1-Methylguanine 118039 125747 74647 73653 81204 79517 110516 113283 64353 66528 73506 72205 132575 133544 113882 111697 66495 66953 75737 76417 73259 70733 61072 62796 88415 86099 77354 77137 58056 59388 96028 93579 65978 62848 76405 76504 66699 67242 95452 93181 89752 93891 70245 63941 65539 66759 69641 69023 57667 57818 88310 86019 54962 54231 54477 54906 62763 62810 125382 129102 63057 61365 71889 71967 57881 64419 59900 60913 79565 73214 64817 63873 62029 62649 90386 88566 85931 20888 84222 69550 70821 92516 85407 84877 67768 70559 64780 62457 59902 111390 106370 HMDB03282 C04152 165.0657 165.0665@3.8 8325 165.0665 C3 H11 N5 O S 23701 27702 18577 14887 35376 40241 22183 24172 9389 13368 14821 11754 35765 39554 16533 14176 11846 10571 23913 23759 8476 18591 17925 21738 21615 27305 25833 29160 28846 14835 17147 13235 13175 16838 17533 12688 13455 27563 29670 32299 31708 19817 20243 25451 26014 20503 20419 15379 13485 21240 21230 25033 26439 4291 8881 19177 17975 27057 23123 6955 6928 9452 8662 12437 12845 22669 23011 25023 24845 24959 24073 12876 12644 24054 24869 20310 18495 17331 5314 28968 27692 33993 32531 165.0676 165.0706@3.2845557 3570 2771 9019 7615 2143 8612 8756 6153 7642 165.0706 C3 H11 N5 O S + 3.4310467 6240 4825 12206 10324 8784 7802 7013 7013 4855 5921 6122 6044 5605 9428 4802 5174 4771 5578 5919 5380 4697 5655 6526 6245 6193 4501 4790 4969 6227 6656 5945 6226 6072 4881 5642 6319 6189 7288 6794 7913 4615 5919 4324 6753 6687 3690 3714 5285 4280 6303 7419 4116 4134 4136 2978 5686 4824 4952 4209 5690 5012 3084 6158 6894 5785 5833 6384 4447 4598 4432 5370 4854 6027 5175 5807 3701 5186 5970 4844 5042 6325 7102 6644 4976 5729 165.0715 165.0786@6.457278 4275 4780 4406 5083 3357 3784 2648 7056 6313 3594 3261 3469 4230 4332 4137 3864 2942 5096 165.0786 165.0793@5.636 56625 165.0793 165.0798@5.683286 7798 4568 11021 3831 3352 21390 13987 9314 3562 4124 3491 7609 10250 6484 9836 6618 2916 13703 7001 10918 12045 165.0798 165.0801@7.0839996 2763 2908 2823 3182 2782 10467 9895 3933 4410 4668 4951 2874 2980 2754 2971 3602 4115 4089 5593 165.0801 165.0801@6.8 2125 165.0801 165.0802@7.173 2958 2917 3369 3030 2910 2779 5210 4600 165.0802 C9 H11 N O2 3741 4301 11636 11507 3996 3993 5492 6220 5388 6621 10059 9389 3699 3344 6981 5778 3856 3557 10811 12252 11489 11607 5156 5144 7699 8686 7480 6424 11776 11520 2573 6697 6634 6070 6339 5004 4640 6060 7819 4515 4098 7882 7573 8937 9523 8513 7191 4131 3559 5290 5774 2473 6430 6010 4367 3932 4238 4473 3737 2879 3606 6268 5482 2871 3243 5075 5334 2372 2643 4035 4167 19087 18821 3286 3650 3348 3029 165.0803 165.0816@1.306 1935 165.0816 165.0822@2.765 2171 165.0822 165.0824@1.1863999 2802 3114 2985 2804 3676 165.0824 165.084@3.369 1706 165.084 165.0854@1.241 3265 165.0854 165.0901@1.2973824 5684 2821 3259 3010 1591 2701 3111 2742 2658 4988 3137 2974 3291 3356 2439 4124 2611 3714 3266 2665 3084 3945 2708 5885 2554 6608 7284 3192 4220 3591 3809 3078 2919 2389 165.0901 165.0912@1.297 3129 165.0912 165.1146@4.493 2162 11037 9938 165.1146 165.1868@5.6088805 2349 1614 1649 2061 2683 2546 1776 2236 2307 2607 2188 2919 2622 2673 1729 2286 2504 1677 3449 2764 2988 3572 2764 2531 2703 165.1868 166.0132@1.508476 83216 2830 99051 2365 2820 2307 95675 77420 76165 69240 81573 80724 2206 72963 87789 74673 2494 86947 81782 101280 3069 166.0132 166.022@2.018 4453 166.022 Terephthalic acid 4071 4132 5294 6110 4986 4855 4162 4179 2676 5479 5469 6236 6200 5343 5058 5245 4950 6166 6575 3681 3850 4863 4438 5523 5660 3423 3343 4100 3924 3933 3602 3380 3477 3568 3676 3274 3394 3891 3769 2987 2759 4385 4197 5003 4817 3581 3708 4347 4506 3846 3506 3615 3818 4835 4358 3670 4006 3934 3700 4749 5290 2629 2905 4007 4047 2682 5651 6682 4993 4362 4782 4852 3571 3268 3777 4573 4484 5021 5046 5462 3993 4302 3982 4053 3803 4258 4455 4436 HMDB02428 C06337 166.027 166.04@2.1520689 3891 2951 4710 8386 8930 3809 4632 5026 4448 2967 3123 3733 4291 5116 2734 3731 2622 2196 7527 7038 3611 3547 4248 4119 3905 3613 3478 3869 3831 166.04 166.0414@3.8422499 48762 29719 18334 12944 166.0414 166.0446@2.158 4623 166.0446 3-Aminoquinoline 7941 24214 27682 10852 13155 14072 19549 22689 11936 11364 5900 6720 9800 11964 8429 9154 25815 4296 15668 26501 5113 15405 16831 18803 28450 7742 4284 2984 14563 13880 7184 12154 15649 15360 8652 17584 11198 22613 17457 13200 5479 6071 166.0502 166.0508@1.701 4388 166.0508 C3 H10 N4 O2 S 23824 10849 14414 23105 12924 13311 4817 17266 10411 8317 13038 9338 12795 10034 9987 5703 3167 8886 4318 12743 13269 9694 11743 26250 9598 5406 6517 8340 7080 7009 6369 25356 10715 13864 12407 6609 2702 8192 8478 2768 2669 32299 15800 5940 8299 4781 4261 4670 4752 11355 12944 4025 8613 14612 8818 4550 4171 3921 12301 6655 13218 12405 5549 9872 5130 3678 4557 22362 8804 7753 4723 5238 24730 23109 6832 11945 2656 3227 166.0511 166.053@2.2231002 3963 7927 2186 2029 2238 3774 4234 12343 10813 166.053 166.0538@1.6758572 2897 10300 2538 3800 7353 4299 3985 166.0538 166.0577@2.2290769 3181 13353 3375 4235 2561 2813 1582 5884 3899 5447 1744 1995 4084 166.0577 166.0654@2.2346666 2334 3069 3155 2071 3697 3817 3524 3414 166.0654 166.0667@4.5594997 5514 5207 166.0667 166.0707@2.2206252 3293 3555 10349 2959 6463 2110 13262 1810 166.0707 166.0713@2.8467367 6223 6366 2809 4784 3591 5226 4608 5643 3155 4976 3917 5903 7008 4726 5589 3463 3937 5086 4964 166.0713 166.0741@1.71 2723 166.0741 166.0748@5.818 3896 166.0748 166.0749@2.263235 11788 4512 5230 7911 5629 5020 4124 1786 4632 6504 5612 10029 5531 6711 5015 5165 2596 166.0749 166.0751@6.099 4764 4964 166.0751 166.0772@2.84 4372 166.0772 166.0782@1.3110001 17290 17067 118371 319629 19536 15746 325060 125315 11505 16592 13370 7689 300848 337366 166.0782 166.0786@1.2270833 29981 27891 4762 4985 9417 8849 9145 172624 32331 33430 14739 4761 166.0786 166.0786@1.2736667 207318 6711 16268 166.0786 166.0788@4.288625 10718 10976 13773 13802 13113 12039 13811 14481 166.0788 166.0791@2.4115 5795 2435 166.0791 166.0793@4.0757504 81692 79120 91169 103724 250802 251192 311840 305179 166.0793 166.0794@2.2712 3624 3312 3073 6277 4091 166.0794 166.08@4.117 15920 166.08 166.0834@2.3035002 4136 21700 11023 3284 166.0834 C10 H14 S 9135 5882 11674 11102 17753 18493 23575 22180 9821 8500 14543 14523 5015 5674 3653 38715 36641 15525 15055 6323 5684 5714 10653 22789 23796 5310 8640 3620 7542 8632 33736 8764 4779 15325 14836 4469 5700 8309 12968 3756 9252 20768 26376 4241 6265 23304 24943 7972 5851 7503 8152 21964 19431 6250 10748 11218 8234 5868 5593 4175 8536 9000 13190 13022 9184 10449 10174 12780 20582 4403 5533 10725 3611 166.084 166.084@2.002 5368 166.084 166.0847@1.13 3036 2850 166.0847 166.0856@3.616 9589 166.0856 166.086@1.715 4053 4140 6947 3218 4620 14086 166.086 C7 H10 N4 O 5170 5536 5961 6286 7518 6086 5350 6332 5058 5810 4536 4960 4406 4916 6965 6708 4664 4802 5293 5159 4838 4407 6125 6167 3591 3837 3763 4137 5784 5811 5698 5404 6976 6967 5121 5094 5037 4305 4241 5310 10810 11388 4568 4273 6332 6875 4617 4244 5146 5148 4144 3901 5425 5528 5401 6265 5625 5903 3993 5902 4504 4996 7397 8165 4464 4648 4819 4488 5706 5440 3220 3468 10001 10249 9143 4782 5037 10432 8982 6052 6610 166.0864 166.087@3.0407143 11443 13225 7772 7497 8532 8642 8665 166.087 166.0972@2.892 4729 166.0972 Val Ser Lys 1947 8818 7478 15060 4829 3420 30313 4240 4889 7204 6519 33038 35044 8374 8293 4730 16370 41386 4602 47551 8592 17550 6078 4798 41722 11459 14426 24804 5972 34295 5785 23635 7083 4844 26822 3928 2639 166.1016 166.1048@1.1163334 2551 5325 7308 166.1048 166.1465@4.445 2242 166.1465 166.1883@4.063 3324 4410 4482 166.1883 166.9866@1.0695 5958 5720 6782 7359 2551 2886 4127 3917 17665 18408 166.9866 167.038@3.836 11036 167.038 167.0507@3.9543333 78882 171586 173511 167.0507 167.0516@6.256 3215 167.0516 167.0521@3.7312498 11604 10921 22805 27376 167.0521 167.0572@6.273 3514 167.0572 167.0582@1.6275556 2255 2588 5680 4682 8557 10898 6430 67501 67827 167.0582 167.0586@0.7732857 10777 10415 34865 35418 6664 6831 6500 6282 13057 13406 10655 10788 24943 26600 167.0586 167.0588@1.7913333 4682 5080 9305 9975 4004 7076 12888 13523 10569 9160 4487 6405 12633 9193 8834 167.0588 167.082@1.255 26929 167.082 167.0827@1.392 3386 167.0827 167.0943@3.723 2167 1737 167.0943 167.0949@1.2943 18564 15228 23028 23430 7261 6414 31444 33563 30233 31091 167.0949 167.0959@1.4926 2885 7640 6069 4537 5151 167.0959 167.096@1.1705 3852 3322 167.096 167.0963@2.445 3140 5502 167.0963 167.1061@4.929 2406 167.1061 167.109@1.633 5435 167.109 167.1133@1.6333045 5264 4857 4739 4589 5346 3998 4050 6984 5603 4607 6071 5164 4217 8718 5733 5678 4216 5170 6093 5176 2983 4927 5078 167.1133 167.116@1.65 8093 167.116 167.9982@3.538 31438 31896 167.9982 168.0283@3.49 3712 168.0283 Uric acid 31180 28123 27323 28142 34188 35594 28604 26296 28642 29798 13915 14879 18667 17551 16649 14458 16496 16593 13547 14952 4316 5162 6278 6281 6751 7113 6551 6287 7273 6802 31028 28031 23773 21402 8826 8735 7714 7731 16525 19367 12538 13726 9380 10356 7190 8627 7532 12798 8955 8719 8324 7067 6357 6283 4005 3650 3792 3800 3905 4349 24939 19012 13837 11779 10618 9863 15327 12348 13860 11894 7813 7414 7421 8177 7680 8125 10011 11158 9989 10052 3407 HMDB00289 C00366 168.0287 168.0383@3.8385 9564 4131 168.0383 168.0516@4.158875 2768 3083 3137 2448 2093 2811 3123 2881 168.0516 C7 H8 N2 O3 8255 6654 8188 9794 8092 7631 7722 7924 12015 12293 14683 16018 7971 7977 7660 8741 11858 12256 10571 10333 7961 8687 9374 9035 7353 11057 14954 14401 9546 11145 14687 16562 11809 10953 9863 10063 8157 6840 11753 12178 13538 14596 9942 7320 8965 8733 10908 12498 13271 15113 15242 17408 7602 7828 7130 5815 5726 6936 7305 6713 12693 12001 13873 13701 7001 9657 10755 10273 11971 11882 9506 10201 14069 13670 13902 5439 9643 10177 8698 168.0519 168.0523@6.851 3122 168.0523 168.0531@2.8468335 3795 2664 4250 5222 3833 2759 168.0531 168.0628@1.264 2369 168.0628 168.0708@1.2605 5760 5379 168.0708 168.0765@3.976 5029 168.0765 168.0815@3.98 3315 168.0815 168.0883@0.839 3963 168.0883 168.0888@1.2125001 1686 1950 168.0888 Pyridoxamine 14278 13652 8637 8181 10499 10558 18589 16552 12371 11735 6887 5066 10069 11791 8753 9479 11334 10146 5078 12183 8580 6904 6156 11570 12794 5309 5014 6032 3799 14127 10973 8875 8257 7381 9539 10694 8594 12171 6072 8127 7641 5678 6345 7476 8379 5194 9928 13106 14224 6624 9040 4798 5234 5482 5444 6035 7238 10700 10706 10974 11724 9050 7356 9913 8929 6305 6922 6197 8337 6210 6332 5406 8329 6690 9108 6436 6747 11758 9692 12309 16253 15502 11693 15882 11040 10066 HMDB01431 C00534 168.0904 168.0905@3.9776 5248 6334 2769 3676 3426 3555 3371 4955 5807 5658 5250 3739 3756 2724 5064 5568 2349 3786 3164 3184 168.0905 168.0911@7.471 49926 49723 168.0911 168.0941@1.6096667 4267 2636 7165 168.0941 168.0965@1.211 3726 3328 168.0965 168.1018@2.17 6259 6748 168.1018 168.1036@1.1995001 1687 4383 168.1036 168.1072@1.1817499 2428 7857 6204 8443 168.1072 168.1134@1.20175 13526 7859 2929 3141 168.1134 168.1142@1.2011667 5174 5098 4398 5302 2776 16784 168.1142 2,5-decadienoic acid 5931 5044 16141 8724 9643 6160 4772 11501 11575 9053 8179 7202 7947 4218 4510 10876 10845 6733 7477 13087 16783 7281 5406 9443 11610 12946 11317 10381 11191 7615 9812 4136 4869 7573 7398 6594 5910 5766 5041 8600 8187 14340 14535 8643 7598 7529 7307 6141 3373 6362 6545 5933 4694 8796 9374 8945 9548 5263 6043 15709 7006 9060 9578 7944 5475 12351 11210 7278 7234 8670 10975 17894 11205 17911 12826 9351 5932 6162 5958 12675 6441 5828 5563 4921 2952 4378 4647 168.1159 168.1225@1.206 11284 11394 5930 168.1225 168.1233@1.458 4591 3000 168.1233 168.1986@7.472 5119 168.1986 169.0265@6.9386 3391 2908 3011 3219 2874 169.0265 169.0381@3.407 18735 4812 169.0381 169.0386@3.4106426 8854 9061 12580 10068 22783 6927 15151 12324 16671 6578 14863 14840 13801 16068 169.0386 169.0451@3.38075 4680 3254 1881 4088 169.0451 169.0502@3.363 3043 169.0502 169.0512@3.769 2520 169.0512 169.0527@3.3185003 4095 4581 6885 6277 5596 5589 169.0527 169.0575@2.5279999 5883 6059 169.0575 169.0602@7.809 3546 169.0602 169.0741@0.9475 4061 3599 169.0741 169.0754@4.6885004 3207 3266 169.0754 N(pai)-Methyl-L-histidine 9027 8914 10021 10346 4993 5178 12437 12222 5749 6368 4530 4171 4633 4025 5563 6107 4073 4240 4443 4174 4574 5356 5104 2739 4585 5008 3848 7189 7188 3643 4356 4100 C01152 169.0849 169.0969@4.581 4384 4580 169.0969 169.1092@2.0517502 21689 21126 23313 14425 169.1092 169.1095@1.2505 4280 4666 169.1095 169.11@2.062 7745 169.11 169.1102@6.7375 4048 3934 4100 3259 169.1102 ACECLIDINE 13847 14773 6020 5935 8823 9904 270189 274791 5784 4698 4351 294699 290297 5231 4467 5863 7323 7565 6866 6506 6685 5329 27359 33902 318757 318835 9909 11235 4334 5064 4694 4294 3980 9046 8454 5242 8253 3857 5966 5605 11620 9044 6822 5680 20927 20208 5969 5685 3939 5564 12254 13331 5245 5034 11585 14674 6266 5229 8089 6906 9618 6071 21858 25091 7766 7027 22100 22060 13585 5595 14093 4449 6672 6215 6642 6791 5628 7305 9653 10076 D02750 169.1106 169.1112@1.13025 10394 8410 9446 12301 169.1112 169.1199@1.2055 4101 10587 4051 7479 169.1199 169.1454@1.10425 3247 2744 3510 3389 169.1454 169.9955@3.5384998 10170 10861 169.9955 170.0576@3.137 5252 170.0576 170.061@4.4965 5547 5072 170.061 170.0695@3.954857 7529 6924 4475 5845 2675 2965 3050 170.0695 170.0747@0.809 5091 4442 7104 8711 170.0747 170.0783@0.843 1673 170.0783 170.0805@2.214 5754 170.0805 170.0806@2.0745757 1851 4450 18437 18876 31689 16361 22610 11563 14977 6691 6131 15137 21075 17731 9980 5814 8858 6001 4130 9102 14029 6979 9786 17007 20212 40436 22469 7341 16807 11190 35244 3817 170.0806 170.0808@2.1610415 22940 5300 47416 21726 30247 18516 19525 19771 11570 13435 56132 45575 7712 99768 28301 5918 14203 29811 5281 20178 16751 13443 26134 26981 170.0808 170.081@2.2816665 16065 6316 1934 3700 7657 2989 170.081 170.1058@6.664 2505 170.1058 170.1089@1.52 4690 170.1089 170.1123@1.125 2967 170.1123 170.1194@1.134 3485 8055 6498 170.1194 170.1261@1.0904999 5222 2914 3322 4003 4916 6771 170.1261 2-decylenic acid 18469 10751 6680 4668 22991 22992 11426 11401 16206 17382 31946 31870 27028 25878 6878 8656 15469 12550 17892 18477 8002 11595 10609 7576 11622 10885 21635 21550 20589 20683 17954 17535 7192 6136 2917 20028 12224 12172 8616 8775 18729 24507 9009 8604 27445 27453 13438 13304 9598 10108 7398 9421 9848 9896 6604 8197 24120 23494 23025 22354 13964 11828 15650 17502 16595 15030 9638 9884 28055 28338 17396 16190 8800 10666 9457 12454 30495 15632 24685 8690 13261 10714 9230 9081 11638 12342 10779 10630 11513 15098 11257 10818 LMFA01030029 170.1303 170.1307@1.045 18703 170.1307 170.1411@1.2952 5030 7976 2786 7587 9813 170.1411 170.1411@2.8826666 4037 6732 13721 170.1411 C9 H18 N2 O 11141 12364 14203 14259 16729 16338 13299 12412 12837 12567 33512 34738 13473 13652 16245 22055 17649 17832 22356 22789 28645 27704 34043 35134 103316 96691 125696 133327 17594 17610 19920 20629 10828 11624 24665 24505 29692 28313 18008 16897 23286 23552 45371 45412 58280 54464 16046 16249 16676 16183 21715 26566 331328 338657 26273 20814 54596 52535 35163 35510 14502 18729 10458 12096 15705 16779 17627 18676 30427 29113 19183 20576 23746 23215 16063 15592 16242 15864 11786 14798 20196 16437 18824 17283 17027 27152 24791 15677 15631 13385 13708 170.1422 170.1427@8.636 14822 170.1427 171.0339@3.294 5395 171.0339 o-Toluenesulfamide 6462 6105 5208 5105 3835 4044 3766 3873 7016 6862 5970 6688 5253 4715 3923 3796 8221 8004 3804 3243 11166 11415 3032 3232 8653 8440 7931 7866 7387 7730 6688 6683 3707 6948 7068 3337 6394 5911 5344 5797 6480 7611 3936 3864 4941 4948 6390 6952 12962 13856 5978 5906 4886 4615 7545 6835 5911 6050 4134 3976 4770 4988 7178 7391 7165 7037 7443 7840 6981 6700 6246 5507 9114 9952 6626 6707 6920 8379 7861 9006 7484 7498 7827 7204 6613 6554 6175 6106 4815 4290 171.0342 171.0677@1.236 3715 171.0677 171.0732@5.5556664 1231 1532 2065 171.0732 171.0752@5.559 1880 171.0752 171.0938@1.383 1588 171.0938 171.0993@5.612857 147343 146962 130318 128182 135889 137680 134448 171.0993 171.1013@1.4219999 8661 5323 171.1013 171.108@2.6972501 2962 3353 4466 4891 4179 3321 2764 2445 171.108 171.1088@1.0242352 13333 12803 35508 32067 29405 39390 8791 7858 18942 6031 3461 3238 2091 4262 41803 41901 2073 171.1088 171.1108@1.044 4721 14341 1779 171.1108 171.1123@3.996 7798 171.1123 171.1125@3.941 5677 171.1125 171.1147@1.0265 8176 7837 171.1147 171.1262@6.498 2939 2597 2179 1658 171.1262 Gabapentin 10648 10458 2559 11693 12307 11573 13076 7989 9002 6225 5452 6282 6085 2859 10509 10335 7908 8272 11092 11216 3769 3664 8107 8364 4207 4144 9887 9874 9065 9073 5178 5324 7653 7518 5211 4580 7601 8190 9736 9681 8141 8137 3978 3751 9380 8198 8083 7861 14124 13733 6678 7818 6702 6731 4132 3912 9675 9527 5561 6088 4017 4430 10722 11070 7874 7594 6748 6557 4636 4463 5974 5349 6347 5978 11579 11705 12119 12498 8236 7917 7765 16524 16611 8287 8045 3726 3498 8375 8797 HMDB05015 C07018 171.1263 171.1299@1.1905 6316 13325 12628 4911 4833 11069 7526 3237 3196 5816 5026 5212 171.1299 171.1329@1.2091428 3621 3170 3150 3729 5234 4255 4075 5404 6322 5409 3740 3820 3584 3016 4170 4172 6481 5481 3699 3798 2614 4695 3770 6342 6878 7187 6767 7693 4235 4085 3073 3098 4839 5663 4987 171.1329 171.1463@1.159 2826 171.1463 C10 H21 N O 3883 4689 4596 4167 3366 3281 3019 3962 5098 4483 3934 3440 2835 3049 2797 2656 2980 2921 2455 1924 2765 2800 2213 4183 4628 2227 2080 2723 3008 3181 2084 2375 2289 2322 3155 3301 3201 2611 2419 2845 3136 3008 3428 2370 2232 3404 3341 2482 3402 3353 3368 2950 2231 4246 4594 5711 6012 4208 4237 3335 2687 3420 2154 2735 2509 2500 4050 3538 4976 4822 4534 4392 3347 4043 171.162 C10 H Cl O 5198 4880 5262 5452 5496 5453 5423 5945 5712 5215 5631 5851 5724 5978 5997 5698 5272 5570 5915 5921 5721 5031 5770 5502 5591 5497 5302 5334 6502 6469 5083 5120 5579 5515 5915 5590 6475 6004 6863 6292 5513 5231 4835 5240 5870 5947 5776 5506 6206 6145 6036 5698 5370 5613 5823 5538 5694 5631 5506 6175 5970 6096 5417 5732 6844 6921 5409 5429 5289 5701 5667 6277 6398 6075 5778 5674 5844 5459 5867 5986 5560 5587 6393 6190 6003 5998 6116 6028 5935 6468 5800 5411 171.9723 172.0696@2.357 4450 172.0696 172.0703@0.648 2887 172.0703 172.0706@4.508 3500 3250 4041 172.0706 172.0707@2.252 1513 172.0707 172.071@3.521 6060 172.071 172.0713@0.6664211 6959 4060 1838 1557 7005 8105 3728 4899 7105 9064 4718 3564 2679 7060 4888 2555 6784 3410 5524 7156 2733 5373 5333 5561 4778 9049 5161 2885 4553 3948 3049 5789 7110 4034 2973 3374 3099 3131 172.0713 172.0715@1.6483332 61284 61433 14847 30051 18978 2584 172.0715 172.0718@3.8989284 5501 3143 3311 2336 1776 2675 4286 3521 4124 3200 2356 4558 5091 4062 172.0718 172.0718@0.929 3865 172.0718 172.0719@4.1946926 6766 3045 2531 3906 2605 2487 1706 2601 2972 2378 4728 3933 4356 172.0719 172.0721@5.4098334 1650 3353 3026 3660 1801 2662 172.0721 172.0723@4.1153817 9101 2653 7576 4031 1907 6858 5577 3620 4699 4400 1855 6864 4370 6501 4387 6983 3716 9450 6114 5399 2927 172.0723 2-Octenedioic acid 6570 6833 5221 3643 5671 6580 6529 6616 6234 5530 6088 3788 4509 4934 4124 1958 6245 3233 3768 6036 6155 5773 4764 4919 3702 5373 4486 6033 3595 4438 5558 4207 5250 4461 4456 5415 4207 4943 4783 3598 3035 3765 6096 4895 4447 4788 3093 3983 3494 7155 6719 3747 4371 7486 6557 5364 7234 3877 5384 4673 7637 3157 3769 5027 2997 6410 6087 5805 4441 5478 5656 HMDB00341 172.073 172.0739@1.2925 7780 8307 2903 2851 172.0739 172.0741@1.16 2303 2437 4180 5415 165185 164619 4404 5332 44820 43771 147538 145594 31382 30911 19451 19874 32932 31650 2251 3113 97718 99553 23219 22766 2609 9509 9690 5705 4805 7903 8575 172.0741 172.0748@2.31 3287 172.0748 172.0784@1.185 8846 8797 172.0784 172.0821@5.8445716 5063 4877 5373 7084 8141 6402 6716 172.0821 172.1004@1.2845 316484 333002 172.1004 172.1123@1.029 4379 172.1123 172.1187@2.84625 2704 3053 2720 2209 172.1187 172.1201@8.349767 2567 12947 4560 4901 4583 3553 3481 3588 2853 4194 4037 4334 4643 3688 2971 4197 4457 6786 19784 3178 3142 4144 4154 4227 4379 3524 4707 4497 2904 2627 172.1201 C8 H16 N2 O2 10088 7129 5291 5165 5391 2297 6316 7359 4145 3350 6678 7116 6064 9423 6138 5912 2466 7402 7735 3381 5764 5269 6634 6101 3822 4234 11055 10279 4037 5350 2896 6295 5407 172.1207 172.1242@1.1015 3372 3260 3733 3404 172.1242 172.1572@5.396 2328 2665 172.1572 172.1815@1.721 6618 172.1815 172.1852@1.1233333 1851 1726 1632 172.1852 173.0082@5.818 1774 173.0082 173.0459@0.8505 6219 4209 4060 4322 173.0459 173.0467@1.191 3631 4264 173.0467 173.0524@1.19 2799 3726 173.0524 173.0737@2.042 35412 6380 4616 3968 5247 5996 173.0737 173.0834@2.0609999 4819 4369 173.0834 173.0844@1.65 8927 9682 31582 31779 18272 173.0844 173.0847@4.512636 4072 4004 3850 3944 3598 2790 2755 4293 3217 2886 2485 173.0847 173.0885@1.6466924 19408 6194 6600 22381 26603 35215 30487 19038 21107 18588 6886 7460 2844 173.0885 173.0939@1.654 20360 173.0939 173.1006@1.664 4566 6623 3314 3399 173.1006 173.1021@1.6675 1958 5792 173.1021 173.1047@1.5763 7744 2709 4911 4239 6708 4267 4149 14553 12616 3306 2457 2976 3448 3926 21844 21560 8160 9264 18199 18686 173.1047 173.1166@6.219544 2874 2739 6114 5076 24226 24504 5539 5687 2360 2524 4183 4273 4922 4705 2593 6298 6452 7566 7536 2707 3018 13535 13056 3367 4063 2828 3769 3820 5766 6036 4089 4450 4520 7021 8304 173.1166 173.1191@1.035 16173 14675 173.1191 173.1355@1.207 1469 173.1355 173.1413@5.6746 2846 3182 7506 7447 2958 173.1413 9-amino-nonanoic acid 5240 5083 3105 3049 4099 3643 2835 3101 3031 3333 3371 2336 3302 3202 3214 3241 3158 3932 4403 4730 3144 3188 3307 3029 5033 4460 4671 4715 3490 3558 3121 3548 3493 3787 3178 4011 4002 4043 4616 2662 3817 4204 4524 5693 3977 3655 5436 5772 3796 3821 4507 4211 4021 4387 3452 3284 173.1415 173.1418@1.2088182 21855 23077 2851 2668 6664 6952 7762 6268 5394 22218 21056 173.1418 173.1419@0.94033337 2543 2574 1984 173.1419 C3 H4 Cl2 O2 S 1692 1692 1880 1715 1725 2002 1737 1730 1894 1636 1626 1682 1953 2060 1830 1696 1616 1830 1777 1828 1883 2057 1734 1618 1686 1295 1423 2066 1676 1790 1487 1620 1820 1771 1794 1934 1659 1833 1599 1679 1771 1770 1631 1650 1720 1621 1486 1740 1530 1832 1829 1738 1713 1768 1768 1940 1716 2101 2059 1935 1941 1690 1709 1671 1605 1621 1738 1727 1629 1889 1524 2005 1778 1777 1969 1791 1902 1766 1847 1791 1617 173.9297 174.0239@2.89 29134 174.0239 174.0385@1.9712499 3656 5055 1892 2307 2358 3318 3172 3417 4150 3644 3759 4695 174.0385 174.0391@1.976 21110 174.0391 174.0409@2.248 77201 174.0409 174.0412@2.321 176324 174.0412 174.0475@2.1499288 7398 6876 5955 6182 9957 9642 17318 18894 16157 16201 9426 8944 3256 3773 174.0475 174.0582@4.7244997 2359 2409 174.0582 174.0642@1.641 4161 174.0642 174.0656@5.156 2713 174.0656 174.067@2.83975 4190 3868 5273 5441 16100 18187 3969 4552 5269 5711 9607 10091 4091 3631 3841 3956 3287 3780 3693 4286 4137 5161 4554 4572 174.067 174.0698@2.845 3465 174.0698 174.0752@1.64125 3512 3561 5189 5312 174.0752 174.0799@2.185 10213 9378 174.0799 174.0836@1.695 7462 174.0836 174.1004@6.722 3485 3815 4013 4418 4771 3930 4112 174.1004 Arginine 5941 6001 7451 7863 6826 6207 10293 9824 14500 14083 12143 11344 5071 8741 9423 8232 6297 5172 6687 7988 5915 7044 5559 7698 9275 13013 12194 10187 9300 9778 9205 7621 6900 10684 10980 6505 5450 5257 7993 7502 5199 6319 12621 10153 17662 17042 7254 6823 15344 13927 14406 14777 8035 7941 7590 8696 4971 C00062 174.1119 174.1258@1.2031429 5288 2097 14275 13057 6363 5298 5504 174.1258 174.1314@1.20025 9985 6232 3187 8804 174.1314 174.1394@1.1739166 2197 1943 1854 2786 3251 1993 2389 5473 2203 2603 5219 5348 174.1394 175.0037@6.6822176 2529 2240 2753 2459 2452 2049 2394 2376 4060 4077 3169 3547 2980 2971 2651 3431 3467 1876 4752 4441 4417 4447 2112 175.0037 175.0414@6.686 6425 5587 175.0414 175.0423@5.228 3914 4827 175.0423 175.0424@5.292 15749 16385 175.0424 175.0425@5.374 2120 175.0425 Guanidinosuccinic Acid + 5.802178 13592 14409 8455 8456 8954 8815 9309 9108 12285 12362 10431 9039 9585 9480 9164 9617 18736 18090 7582 7959 24165 23980 8346 7948 20109 19746 22095 21137 15450 16571 9329 9091 6256 6301 13518 13101 7212 6349 12602 12990 10934 11753 21715 22165 9058 9113 14478 14024 15764 16007 14450 14263 15067 15905 14574 14546 21888 21622 15815 15735 9613 10664 9540 9859 21381 21497 12644 13206 17646 17878 13725 13742 13976 14523 16866 17009 15770 15397 15053 13919 13482 17278 15721 18770 18527 14063 14132 10606 9979 10652 10919 HMDB03157 C03139 175.059 Guanidinosuccinic Acid 18637 19095 14789 14568 12461 11702 11973 13544 17098 16862 10965 10447 12148 12538 12518 11764 25821 26134 11107 9747 27556 26755 6481 6401 24440 25486 20949 20341 19276 18607 13050 13278 12099 11259 17178 17785 7691 8208 17345 17438 11243 12109 29336 29016 13720 13905 19779 19795 20941 20560 16761 17936 15482 16549 18919 17542 27872 27427 18838 19166 18196 18512 12223 11685 23792 25498 18011 17799 20819 20256 13938 14006 17419 16938 19959 19517 21136 20821 19915 18435 19531 17690 19637 19483 25023 23771 17529 15956 10540 11260 10718 HMDB03157 C03139 175.0591 3-Indoleacetic Acid 8390 8990 9183 8720 13914 14003 31236 30421 9807 9013 14165 12948 12535 12233 31911 30125 5689 6197 12397 11590 10546 10262 5371 5655 4930 5156 12361 13029 29943 29440 24529 25710 10896 11786 8251 8479 11760 12519 8856 8490 15191 14508 11593 12366 11186 10399 9534 10674 17542 15481 6713 6877 5979 5988 13639 12392 14755 15416 11147 11501 10913 11615 15458 15255 21333 21290 11915 11480 10443 9698 13707 13609 8000 8522 10203 9126 7218 6424 6899 17608 17753 7983 7889 6819 32708 32698 19953 19924 9800 9437 15629 15977 HMDB00197 C00954 175.0638 175.0645@0.78 5670 6037 3986 4495 3265 3393 175.0645 175.0647@4.8823333 5622 5502 2842 175.0647 175.0748@3.199 8510 6551 175.0748 175.0809@7.7375 12842 9523 175.0809 175.0849@2.890167 4474 4079 3941 5639 6346 3086 175.0849 175.1009@1.211 2985 175.1009 175.1206@5.0235 3413 3894 175.1206 C8 H17 N O3 4985 4792 3339 3783 3916 3382 3634 5393 4291 3557 2928 5494 7679 2923 4879 3353 3409 4624 6079 3655 3058 4821 5255 4339 5822 4543 4547 4433 4955 3242 4416 3921 3176 8483 7872 3372 4658 6551 6456 6214 6680 2083 4017 175.1209 175.1224@7.28 1818 175.1224 C7 H17 N3 O2 6114 6519 7780 6898 4669 4274 7436 7278 11587 11730 5784 6711 8954 8597 8164 8558 9863 10300 11488 12399 8822 9044 11039 10663 5435 7001 7044 7427 9697 9443 7908 8208 6386 6388 8567 8347 6111 6027 10276 9251 11520 10845 8545 8467 6552 6489 7743 6882 6718 6498 11858 11448 6462 7776 9108 8248 6312 6678 6945 7644 6335 6426 8065 8971 10669 9725 11469 10431 9873 9322 5805 6132 6287 5779 7357 7491 9156 8067 6921 6608 8952 10202 10827 11526 11450 7771 6746 6444 5817 11705 11412 175.1324 176.0329@0.7363334 7102 5910 7446 7670 6122 3522 6187 3790 2586 176.0329 176.0497@1.4325 5007 3620 176.0497 176.0588@0.82350004 36407 37099 176.0588 176.0616@1.634 3991 176.0616 176.0804@7.739 3119 176.0804 176.0953@2.0426667 192696 2798 6444 176.0953 176.0959@2.0956666 469536 288716 3824849 3753933 545128 534659 176.0959 176.0962@2.913 16655 20033 176.0962 176.0971@2.7979999 11705 9761 176.0971 176.0979@1.5265 5779 5134 176.0979 176.098@4.5983334 3556 2732 2081 176.098 176.0987@1.431 2489 176.0987 176.1041@3.488 1865 176.1041 176.1048@3.1 4388 176.1048 176.1051@2.136 3541 176.1051 176.1051@4.134 4716 176.1051 176.1052@2.649 4342 6267 176.1052 176.1052@5.984 2843 176.1052 176.1059@5.8945 2818 2658 176.1059 176.1306@6.7235003 6039 6538 176.1306 176.2059@2.0883334 7803 8175 9548 176.2059 176.9919@2.94275 4263 9265 8970 8331 176.9919 176.9925@2.965 5214 176.9925 177.0295@1.3236667 2984 2956 2413 177.0295 C10 H11 N O2 + 8.05347 2609 2667 2549 3730 3283 2534 1984 2634 2487 3420 3569 3397 3324 3032 2885 1864 3298 3572 3432 3479 3173 3002 2574 3015 3495 3028 3218 3584 3110 2609 2629 2699 3074 2906 2855 2591 2858 2451 3674 3123 2598 3100 3485 3522 2239 3663 3923 5721 4975 2974 2815 177.0794 177.0794@1.1815 1754 6285 177.0794 C10 H11 N O2 8574 8549 10554 10555 8483 8010 10175 10404 13483 13412 11549 12123 11631 12413 21411 21734 10384 11042 9050 8675 6963 7762 9868 9507 10841 10591 14587 14274 12641 11460 9572 9243 7345 7077 4405 4251 11847 11412 13893 14036 10312 10981 12800 12937 8833 8871 4746 4536 9472 10064 10647 10581 11105 10203 17254 17913 8863 9316 4164 3870 18602 18710 12833 12632 10538 10385 11867 11802 3696 3846 11036 10158 10060 9236 6817 7217 14305 13807 4046 4462 5048 5154 5481 9657 9172 26709 26911 9569 10201 13024 13147 177.0796 177.0796@1.2990909 5472 6166 15652 10668 2831 7306 7954 6638 6851 4449 3622 177.0796 177.0798@1.2457567 4848 4652 3831 5157 4246 5894 4626 7193 4010 1748 2923 3750 3689 5229 6261 3970 5048 5219 3526 3627 3662 2584 6613 7739 4760 4960 2654 2805 2504 6962 5965 4077 2245 4750 2669 2325 177.0798 177.0829@2.5295 13476 13078 10108 9503 4593 3909 5509 5520 177.0829 177.119@4.586 2226 177.119 177.1261@4.585 4342 4749 2792 2637 3037 177.1261 177.2106@2.095 5052 177.2106 177.9977@6.9978 2396 4128 4041 4336 3901 177.9977 178.0202@1.29675 5125 5094 7209 7430 9669 10339 9824 9935 178.0202 178.0285@4.5584707 7345 12258 15122 9324 9310 5631 8649 8776 8509 8905 14451 5107 9330 16387 12946 15266 14258 178.0285 178.0285@4.704308 8364 3597 9000 10345 9833 9286 8084 3636 4550 10260 8115 7598 3034 178.0285 178.0289@5.2083335 4274 3975 3722 178.0289 178.0291@4.728 6477 2832 3476 2448 178.0291 178.0301@7.476 6431 9255 178.0301 178.0309@7.33 2383 178.0309 178.038@2.1265001 7341 7381 178.038 C8 H6 N2 O3 30408 29890 29665 29587 28222 29617 73269 76724 29652 28529 31494 32731 34551 34833 19356 19210 23633 23614 21684 20924 18590 18419 21550 21657 20754 20114 27364 25897 16564 16902 30942 29361 19850 19151 19986 20211 21781 22079 31881 34690 23149 24582 15938 16220 25548 24615 17712 17756 20435 20682 21812 13544 9858 16650 18205 17417 21126 21229 54655 58178 25096 25551 21995 22179 15082 16036 22766 22391 17847 18509 31172 30704 17144 17075 21148 20680 35012 35833 14979 15127 30894 31651 30894 23760 24568 38117 37579 24619 25302 30066 30005 178.0381 178.0384@2.509 12581 178.0384 178.0582@1.1507499 6042 5784 7883 7738 178.0582 178.0648@1.544909 4454 3955 10319 10391 5192 5435 3381 7662 8154 5587 6488 178.0648 178.0751@2.5295 18016 17476 178.0751 178.0752@0.7315 14174 13860 178.0752 178.111@7.534 2662 4041 178.111 178.1112@7.2603335 6212 7461 61617 60990 4436 5020 178.1112 178.1123@1.2123333 2140 26559 24069 178.1123 178.1156@1.2262499 9078 12127 11591 3003 178.1156 C8 H18 O4 12552 10608 9095 11112 9104 10046 61304 8872 9105 9665 10532 10412 9429 11087 10248 8013 6414 7909 7086 6630 7281 6862 7298 7417 6884 5933 5534 6997 6396 8225 5825 6466 6005 10001 9754 7281 6724 7344 7147 7584 7537 6199 5238 6217 4829 7212 6158 8885 9255 8144 8660 5558 6844 6696 6150 8457 6548 8591 8668 6796 6545 8469 11094 4525 6046 6664 5426 9810 8545 7682 7175 9277 9184 6119 4206 6106 5510 5337 3732 4417 4333 7998 6041 5624 5150 9983 10976 178.1193 178.1343@1.1420001 9155 10656 1988 178.1343 Propofol 5985 5191 11683 12057 4814 5149 8436 8459 9598 9883 10158 9812 7807 8703 7220 8395 6031 6086 3359 6689 8316 9358 8992 8099 8802 10959 9240 8482 4343 6399 6713 4748 5083 4070 7424 7019 3502 13793 15260 6293 6527 4754 5370 4212 4577 4346 3603 11340 10730 9855 8969 4411 5182 8339 7103 7159 7272 5159 5425 11909 10890 7964 7930 4791 3874 5439 6245 12714 14289 7932 7567 6213 5563 5949 5673 5572 5100 4942 4598 4235 3821 3902 C07523 178.1374 179.0406@1.2945555 6718 6326 10046 8684 3153 11552 12253 11414 11089 179.0406 179.0531@2.1515 6859 4094 179.0531 179.058@3.918 3729 179.058 Hippuric acid 113400 118477 247673 250105 283250 281720 618921 451530 63336 44008 32742 30110 248710 253105 217911 196559 107775 120648 40450 37409 291864 283449 70750 71279 207312 184110 282488 565259 141793 141423 477280 459467 421089 453349 88368 91188 126162 128641 174986 177341 461124 458067 61972 60321 122842 125647 176647 189557 664839 655107 287498 287920 110414 112479 92524 90746 148926 146819 70127 67814 61060 60117 43834 52538 188634 189325 63096 63779 508003 490517 46284 50603 21505 22031 110655 112964 17720 18974 27971 29659 835911 714294 731390 13818 8419 195631 188008 33495 30024 115923 111578 HMDB00714 C01586 179.0589 179.0618@1.5775 3450 3845 179.0618 179.062@2.1475 1565 2489 179.062 179.0634@3.055571 6446 5851 9399 9249 5458 5020 6614 179.0634 179.08@2.35425 4960 3966 3983 2268 179.08 Glucosamine + 2.7338603 92024 217621 220539 199699 224957 219802 121729 203555 119070 47522 85587 149553 94323 265763 173188 142551 135055 69471 91572 97569 204555 176918 199833 182288 157344 117403 227648 115311 516061 263633 89805 239636 107858 217247 85024 129800 92369 141338 224752 93160 171259 115092 120116 HMDB01514 C00329 179.0801 179.0802@2.6566668 118026 230324 60119 179.0802 Glucosamine 233585 315730 248386 208022 212513 348388 217273 231940 239951 4317 299205 274157 187829 220056 233137 259020 151744 269658 211412 309471 200658 6730 7757 248692 4714 2086 260858 6590 211914 217163 253514 200632 72987 188177 421397 7676 3990 336677 HMDB01514 C00329 179.0803 179.0806@2.01 3193 179.0806 179.0818@3.3795788 5697 5463 4030 3511 5272 6387 4612 4536 4844 5717 3805 3955 4648 4611 3906 4728 4666 4586 3629 179.0818 179.082@1.751 3206 179.082 179.0822@1.4685 3629 4180 179.0822 179.0843@1.7444999 3269 3255 1415 6284 179.0843 179.0887@1.744 3762 179.0887 179.0924@6.6663337 2384 3800 2091 179.0924 179.0932@1.625 4721 179.0932 179.0934@1.6985 5514 3819 179.0934 179.0936@7.2653337 2018 2419 2712 179.0936 179.0948@0.9135 6984 7196 179.0948 Phenacetine 4536 5342 4581 3558 7675 7387 2503 2641 3180 3053 3894 3654 4135 4246 2267 6598 7048 5056 4501 4120 3876 3836 4038 2802 3054 2943 3580 3607 3225 3644 3787 3574 4062 3693 3543 4364 4100 3054 2574 4398 4286 4479 5573 2771 3425 3340 3113 3903 3146 3901 3877 3249 3398 179.0955 179.0964@1.2081112 3319 3385 1745 5785 5005 2818 5069 5975 2859 179.0964 179.0999@1.207 2762 179.0999 179.104@1.2114999 5378 2976 179.104 179.1219@1.196 4856 179.1219 179.152@1.178 2026 179.152 179.1713@2.997 4129 179.1713 179.1932@2.726 4077 179.1932 179.9728@2.3906667 5789 3190 6820 6571 6874 6809 179.9728 179.973@2.466 2962 179.973 180.019@1.2633333 3316 2240 11448 180.019 C4 H8 N2 O4 S 111533 112221 91172 89811 246010 250464 71897 66209 91634 93114 110207 110359 56383 57994 95085 94842 104042 103811 123423 108834 131954 133544 270909 262179 75479 71088 94786 94227 125810 128038 74110 77265 138076 135995 256397 252185 124587 118341 314457 302514 91747 89054 184931 182473 94335 94465 80627 79701 120480 119319 215374 222554 245110 243976 147145 145864 211691 215716 251288 234682 260387 267768 103416 97611 205324 200902 302517 306363 236652 237772 134264 133712 87766 86649 129814 129418 166892 107889 163443 99746 100095 131943 125235 127356 266369 266963 206795 202812 165314 164931 158372 151012 180.0195 180.0246@1.985 3537 180.0246 180.0269@4.531 1462 4190 180.0269 5-Methylthioribose 115981 117204 120227 112171 106839 95209 340052 330329 114168 114322 113292 110409 135144 138216 95734 93719 72485 74394 93058 95610 73289 70273 98243 100915 81370 79738 92132 82818 79628 82715 145168 141548 64640 66714 110908 111285 99573 102170 166139 161269 92179 93056 66147 64839 76456 90134 70492 69428 91202 85431 95527 97968 77074 63604 70258 68723 84461 87512 204244 162507 92822 99097 84216 91165 82983 90853 97496 99366 74660 71679 109876 99535 65554 64788 106101 108506 159596 12660 163780 65051 67405 124747 115809 118704 120775 116514 28388 23442 90393 92545 118888 108449 HMDB01087 C03089 180.0466 180.0545@3.2648122 12742 13062 11298 3797 7884 6759 7527 4141 9173 10269 8903 8466 6653 5761 11133 8700 180.0545 180.0552@1.2835 4428 4594 180.0552 180.0556@2.9573333 1284 4567 7594 180.0556 D-Glucose + 2.9642036 16658 15946 4969 21219 34863 17394 16759 13305 14210 34535 33766 19395 6107 16103 7606 7763 59121 61387 55535 26844 13301 13934 4577 20062 19059 32069 31201 11451 11083 20632 22128 24759 26439 24773 8992 8095 17669 24265 13018 12852 12149 11869 7372 6036 6405 9452 10494 8739 9284 44102 47869 6341 5461 58462 55584 12493 11113 17747 12423 HMDB00122 C00031 180.0636 180.0643@2.9326668 11418 7006 10540 180.0643 Theobromine 5504 23579 26365 4025 3512 9394 8237 3219 4444 29706 26772 16121 15305 31101 30254 6184 6031 15316 12753 27238 26233 16037 13815 19998 13107 12599 13576 17645 14990 11669 11649 23614 23328 12888 14927 8372 8010 26353 28499 14848 7608 18001 37891 4237 13121 8729 8265 9647 6408 5130 2345 52326 58936 6863 14739 13488 21480 19225 10944 9719 21916 24101 5152 5527 19090 19669 17921 20342 4216 18065 37148 37701 7099 10803 3566 HMDB02825 C07480 180.0655 Theobromine + 1.4370109 398581 399369 37368 36110 1088686 1082369 268614 270291 367345 371022 438604 442811 663029 652941 665794 678851 737703 722193 140932 134690 106467 104471 23961 24347 249489 238329 670836 649754 707112 709945 646318 633862 309909 303248 617727 636468 108033 109766 829264 839416 842698 848053 534576 536371 299479 297017 1038042 1028688 267826 261112 858145 854096 94576 93186 419413 412144 33568 34638 289909 289057 1195642 1212608 399745 412876 432725 445617 752263 739500 186103 188470 828082 837026 197242 193136 249998 159671 247083 613596 617456 1142736 1054510 1043511 270862 267398 860859 854187 334102 333486 256768 256080 HMDB02825 C07480 180.0655 180.0656@0.887 10672 11206 180.0656 180.0704@1.3564999 1926 4866 180.0704 180.0753@1.24575 2336 13513 8033 6153 180.0753 180.0765@1.672 6585 180.0765 10-hydroxy-2E,8E-Decadiene-4,6-diynoic acid + 1.2059581 14700 13966 4116 8040 4295 7646 49920 48343 9680 7800 4642 9528 9951 8989 13413 13011 108947 112614 18550 20766 8627 9315 41016 8019 3946 3657 51296 48714 36553 37519 19131 20202 8671 34434 34973 23395 5813 15056 20036 18629 29053 28476 6255 6150 8568 16716 4139 180.0794 180.0794@1.1861539 67162 68103 45336 46543 32574 29451 74402 73105 7431 100444 97761 6513 19613 180.0794 10-hydroxy-2E,8E-Decadiene-4,6-diynoic acid 5023 4229 3044 3602 10320 10635 3633 9980 8958 11247 2993 2903 2764 4449 4703 2982 3016 5417 3286 8362 7204 10156 3756 3642 3485 3834 50428 50008 23327 22036 40488 6168 6486 5770 5792 6487 5998 7840 3240 5322 3737 4252 7103 7145 24847 16879 20302 11736 13399 15017 180.0795 180.0828@2.6402144 5024 8771 6150 6923 4192 6731 3795 4621 5501 5001 4275 3296 10721 11615 180.0828 180.0829@2.562 7636 6950 180.0829 180.0863@1.2985001 1604 2170 180.0863 180.0963@1.148 2337 180.0963 180.1047@1.21 1218 180.1047 180.1164@1.17025 3309 2983 4464 5937 180.1164 180.1237@1.212 1901 180.1237 180.1282@1.204 2072 180.1282 180.1362@1.1956999 5955 4668 1818 4852 7850 2399 1837 4974 5037 7502 4117 3275 3598 7082 5817 3761 1676 2627 9511 8294 180.1362 180.1423@1.1972122 6892 2655 7002 3100 2987 4453 6279 2679 8055 1994 2541 17674 1547 2137 2909 4828 5843 2568 2874 1917 2428 4223 2491 2884 3171 7484 4075 4631 3747 3592 2272 4412 3023 180.1423 180.1465@1.0935 2966 3288 3229 3224 180.1465 180.1472@1.2065 4307 1883 1851 5688 6241 46567 180.1472 180.1478@6.3563333 5780 5375 2301 3095 3328 2731 180.1478 3,6,8-dodecatrien-1-ol 4437 5855 1652 14673 14108 4281 5755 9176 8692 15277 15668 12432 12814 10952 10211 8014 7112 6326 5400 7309 7314 10638 8816 7708 10394 11453 11760 4888 5141 7178 7071 4378 4056 5733 5367 7925 8013 2884 4151 12424 12658 7092 6439 7495 8267 3824 3813 6505 6499 4432 4257 14250 14406 10009 9574 8095 8654 8530 8338 6914 5173 4294 6584 18078 18176 12097 12002 5436 5466 5865 5556 11918 7948 12141 7931 8119 6227 5779 5408 8072 7830 3828 4429 4184 4233 3860 6775 LMFA05000058 180.1513 180.1587@2.8125 4286 4734 180.1587 180.1791@1.4864999 1965 3636 2372 3042 3756 3666 180.1791 180.1792@1.4325281 5292 26306 23441 3323 3804 5334 11036 8502 8145 7559 11296 7450 6388 6300 11156 10520 8977 3475 2857 3662 11199 16873 12709 15392 12187 4829 6138 2424 3788 20971 21452 8872 12618 3069 4698 3733 3540 4886 4296 3505 13098 12928 10142 16107 9110 8686 24049 22473 23548 13233 12662 3998 180.1792 180.2232@1.4337618 7296 6824 3904 3053 5170 4723 4076 5476 6206 4359 3466 3240 3219 4348 4639 4048 7896 7359 5215 3128 180.2232 180.2258@1.437 6254 180.2258 181.0303@1.0964999 4003 4608 181.0303 181.051@5.4375 1571 2075 2527 2518 181.051 C4 H11 N3 O3 S 7481 6954 10588 11150 15188 4859 16496 14387 14873 13192 15802 11630 4167 4144 5505 16073 4976 4781 3002 2609 4152 4133 2700 2578 3336 14233 12127 13593 7706 3086 3695 6890 6642 7785 9264 14452 14429 13412 14023 9566 8720 7196 6456 9249 9694 12280 12891 10831 9469 8017 7771 14193 12620 13354 14632 14138 5347 5605 2709 14797 14604 181.0512 181.0517@6.7414002 9461 4112 9877 3685 1810 181.0517 181.056@2.7883332 11050 8276 22561 181.056 181.0605@2.7757335 3367 4791 7948 2201 2313 2934 2791 4261 4314 3658 2354 4241 4362 3567 3670 181.0605 181.067@2.7657144 2002 2654 18231 3348 3157 2055 3674 181.067 181.0676@1.489 10409 181.0676 181.069@1.194 2278 181.069 181.0693@1.5493077 4753 7323 3721 2105 7953 7398 3735 4070 3814 3126 7894 3724 181.0693 181.0744@0.87600005 16083 16625 83218 83906 9382 9444 8102 8545 12624 15005 7795 8313 3495 40562 40537 181.0744 181.0757@1.5993749 6212 2502 8015 8084 2913 7858 14651 7505 5121 2890 3104 7500 10441 11450 3509 2291 181.0757 181.0757@2.484 51072 47948 181.0757 181.0765@1.1385 3265 3340 181.0765 181.0776@1.753 3561 3523 181.0776 181.0808@2.493 5004 181.0808 181.0848@2.473 8229 181.0848 181.09@4.559 65773 63923 181.09 181.0902@2.4016666 6572 1724 10753 181.0902 C10 H15 N S 14429 14273 22646 28253 14742 26418 29730 29106 41989 44091 33497 33812 7940 7773 4906 53490 41778 32215 28712 43302 51733 29368 30261 16220 17079 17655 16554 36317 48189 26724 27998 12879 41994 10358 12307 11645 31918 32248 30218 28572 17974 6311 27929 25755 28742 39728 10682 33469 36056 12016 24480 23061 31183 41890 21113 26304 31959 9016 23737 29942 25331 25428 23493 44407 55058 24514 24567 36528 27697 26622 10586 26799 25986 16437 16195 181.0934 181.0949@2.487 2135 181.0949 6-methyltetrahydropterin 37492 35699 5275 18697 7457 5931 11019 13011 10502 9033 9587 10312 9937 7520 8021 8231 9059 13627 42691 43550 35609 8811 57326 57978 28547 29972 56583 58623 9841 6286 5417 11035 10482 9053 8756 17400 10819 5432 12849 13932 10834 19808 7503 23943 10464 9493 10046 6800 32927 13703 6089 10397 12574 9997 9062 8661 9006 9584 7094 9437 16290 5498 11876 15281 40079 41262 HMDB02249 181.0952 181.0961@2.4388182 3954 5975 6514 4234 8138 4807 5777 3669 4306 3089 6436 3162 5731 7804 5708 2372 4588 3925 4819 4389 4825 4242 181.0961 181.0968@2.078 10855 181.0968 181.1073@1.2052 2542 5266 5953 5954 3021 181.1073 181.1114@1.205 5708 181.1114 181.144@1.2349999 2107 1825 181.144 181.147@1.235 2965 2576 181.147 181.1826@4.311 4287 181.1826 181.1831@4.265218 6528 1561 6697 5224 8038 8142 4345 7619 10180 4699 11834 2916 5954 2301 4849 7374 3606 3837 1921 7089 2846 3090 5087 181.1831 181.1832@4.1534615 3475 4484 2989 2404 5504 2856 6013 4006 4538 1385 1800 3694 2351 181.1832 181.1836@4.2025557 6059 1739 4752 3143 4157 2970 9119 4686 3804 181.1836 182.0444@2.3140001 3222 48106 182.0444 1-Methyluric acid 64166 51542 4028 55098 41701 110297 93148 27490 26815 22784 21424 51849 2471 28679 28490 22747 19171 23696 19010 4332 4724 15045 15257 46686 45331 25946 20600 87191 92019 44351 44920 32424 37787 3674 3609 33327 31875 70062 70185 28331 27996 25721 21734 33759 41027 18991 13719 60050 59487 6669 6973 8325 7427 9352 9390 5907 6308 70809 66242 3925 4088 32799 33576 37935 31729 31312 32708 17643 18105 3480 29171 35610 15823 15643 50790 33271 32500 6591 7223 65259 61780 11128 10769 10445 12085 HMDB03099 C16359 182.0445 182.0463@2.7043228 4730 4926 7493 6924 10883 11553 7359 7935 5188 5710 2459 2267 3706 3756 4395 4504 14556 14909 3365 3576 4392 3146 6098 5765 3778 8117 4478 4415 4939 4538 3876 182.0463 182.0605@0.9295 4393 3999 182.0605 182.073@4.1835 3949 3872 4333 3440 7817 7945 182.073 182.0782@1.422 8038 182.0782 182.0798@3.170875 38585 40114 65918 64643 4091 44553 23124 21597 56802 58619 37179 40441 34509 37697 239171 242834 182.0798 182.0961@2.035 4319 182.0961 182.0979@1.1614544 3578 3700 2384 2971 3966 2917 2522 3780 3880 3651 3057 2856 3315 2955 2748 2901 3077 2459 3324 3123 3649 1357 3575 3549 2903 2794 1626 2834 2307 3650 3860 2527 2153 182.0979 182.1009@1.1618749 2889 4328 2427 2646 1569 3076 2138 2758 182.1009 C9 H14 N2 O2 46552 48279 20073 21299 32664 32140 159706 161721 25024 26181 50183 49709 39945 39650 12850 13955 21447 19319 40342 40009 20070 19753 11312 11750 48207 46466 12351 12737 30055 30867 15849 15305 24660 25694 16934 19221 31838 33751 27462 27210 7109 7314 17900 17842 13274 12452 29990 28771 52195 51868 16173 15855 24712 24412 22216 22953 54551 56287 15007 14473 13593 14043 18570 18116 15489 15872 5388 105022 104389 12336 11980 16051 15410 61331 35504 67247 10672 10058 22923 22933 22652 20361 19447 76662 75675 38708 38361 30231 29049 182.1056 182.1254@1.2039165 3260 7378 2328 4830 4023 2725 8527 7517 2537 8624 12988 9124 182.1254 182.1264@1.2046001 3777 2623 3337 2471 2686 182.1264 182.1307@1.1011539 7239 3892 7517 5606 7616 3448 3459 11748 6359 5561 5889 7806 3517 182.1307 4-undecynoic acid 13226 14405 24556 25837 19305 18238 33607 20926 5504 14497 45136 45688 10726 19227 13796 12930 6077 19544 5302 17235 2948 36070 37875 28322 27824 20721 3507 11691 2889 14122 3875 3082 12361 13739 3491 3505 14242 16319 14682 20434 12780 19541 22602 25004 12344 11790 14645 13952 8345 17954 16574 16926 15113 17945 30545 27384 31158 15240 16456 14703 14132 12932 2675 41730 41881 79100 60270 182.1314 182.1368@1.318 3141 2791 4132 182.1368 182.1395@1.3160001 5224 5469 7080 6313 2170 3676 3166 4355 4153 3887 2960 4485 182.1395 183.0308@6.2545004 3027 3116 183.0308 183.0376@0.901 2950 2571 183.0376 C5 H5 N5 O3 + 2.0347636 21940 10928 5260 16469 6921 6082 6774 15892 26042 16936 11051 10984 10769 12164 11189 11374 14064 15375 13091 12670 3897 15058 15097 5681 9336 8359 12703 2951 8191 16569 10271 16132 13088 7523 16965 22340 8760 14238 17144 31636 18948 13805 6615 9104 18022 16591 10216 28488 7507 6468 11229 21081 4313 4595 18483 183.0392 183.0397@1.71475 1835 12145 4868 3298 183.0397 183.0397@2.2083125 13151 8139 34171 11537 11724 4311 4287 6719 19946 9471 11251 4986 3305 8822 15418 7641 183.0397 183.0399@2.1099179 26572 10164 12756 36213 34131 29215 24490 21755 15790 18869 13698 17356 10474 14676 10818 25355 34472 26751 24347 23467 26364 19807 22270 9626 24325 27996 4062 8101 15244 18891 9744 27202 24453 15441 12486 27535 28091 29665 22883 26418 26463 9912 16648 22718 9510 7931 7025 24528 18464 9801 7931 31371 24098 15778 23055 11118 15189 20497 28909 17832 24176 3277 10471 25744 15314 9318 19234 19650 13705 22763 26074 17996 183.0399 183.0399@2.163 5475 183.0399 C5 H5 N5 O3 170261 84249 185103 155017 264679 159753 211768 252198 124059 202958 78814 129873 239310 241300 199464 76185 173496 110695 83802 2246 176353 160658 89708 131850 133233 179956 90746 120917 48818 71997 64454 66232 130718 52352 249053 210393 230411 121962 54888 154113 128986 149535 127670 126825 213420 162657 111236 67923 160723 59203 54863 211051 173048 55086 70430 83647 62904 179881 85544 58971 146764 93895 204097 202822 120341 117696 157246 114410 65694 147681 89614 105265 109780 116506 96217 196719 199949 195014 183.04 183.0402@1.8055556 6437 15018 17755 1812 10875 2802 2411 21628 5071 183.0402 183.0427@2.745 3442 183.0427 183.0459@3.8389997 24709 23498 7411 9592 183.0459 183.0461@3.682 3764 183.0461 183.0464@4.7042503 5560 5118 4991 5992 183.0464 183.0472@3.6595001 1225 4885 183.0472 183.0535@2.781 7590 3338 5982 8120 3733 183.0535 4-Pyridoxic acid 8451 7111 5264 14241 10580 10734 8109 4151 2344 2884 8741 13680 10230 11995 8082 2835 22639 8245 2632 9315 11638 6706 3921 13680 7625 2733 1008 2869 3574 4303 4391 152671 22360 18871 9909 12879 13541 3631 3049 63629 71722 4471 8132 HMDB00017 C00847 183.0537 4-Pyridoxic acid + 2.8116002 13712 13247 16276 32195 34677 4898 7750 7905 3066 5754 4828 26055 11813 46761 36049 17194 10635 2623 6823 14831 15955 14419 9260 3320 4389 4626 4445 4965 3870 9856 7197 17363 21404 19095 8390 11633 10987 10530 15098 8863 HMDB00017 C00847 183.0541 183.0569@3.6916 5035 5842 5219 4656 2180 183.0569 Indole-3-ethanol + 6.418022 5907 5396 5193 6713 5740 5295 5854 6243 8228 6828 7151 8453 6851 7018 4159 3865 6917 5155 6662 8218 8595 7670 3209 6348 6288 5104 5129 7669 8518 5689 5830 5494 6113 8430 5851 4591 6510 6237 7975 7922 5210 4555 4616 4900 7813 7056 5885 2971 5285 5398 4680 5504 4814 3804 5482 6930 7249 6090 6364 7227 2998 7622 5311 5927 6655 5771 5896 7496 7177 6382 3766 4287 7216 6463 8232 9756 8225 9340 5366 5648 6376 5673 5035 8420 8109 9725 9071 5318 4716 HMDB03447 C00955 183.0667 Indole-3-ethanol 6616 4779 4551 4128 6785 5956 4707 5189 5411 6373 7073 4876 3720 4801 8758 4107 8414 7778 4797 4566 9025 4569 8331 6747 7503 6731 4465 3267 6676 9605 10065 7979 2799 6934 6623 8450 7009 9960 9858 7079 5802 7275 4222 4582 3821 3357 6780 6970 7232 8339 7439 8754 7296 7799 6842 9380 3392 6692 9368 11427 8096 6530 3436 3747 9105 6183 7697 7101 4806 6902 9382 7020 3681 6076 12226 12422 12625 HMDB03447 C00955 183.0668 183.0668@6.085 4909 183.0668 Indole-3-ethanol + 5.1084623 6452 8488 7150 6975 10813 11928 13076 13581 14981 15371 13756 15595 10012 5513 9534 13871 14412 15393 7099 8274 3152 11963 13278 7766 7379 6768 10987 8621 11226 11251 13802 19092 12379 9747 10365 11363 8245 12850 7050 8256 7816 10162 9921 11133 11671 12875 6419 8666 5158 7309 8115 8446 6923 7732 10065 9707 12311 10948 15915 13407 10176 11335 15402 11478 12596 11659 9963 8949 8940 16962 14533 11860 13355 6264 17846 11681 18979 17685 8560 11369 HMDB03447 C00955 183.0669 C12 H9 N O 6188 6950 6556 6389 4982 5467 8315 7361 5960 6923 7721 7704 6843 6981 3510 3398 5843 5241 8300 3542 5952 6164 5771 4769 4727 4300 7456 7016 5304 6119 6194 5632 7803 7399 4248 3337 6445 7987 7348 7947 5172 5197 4612 5086 7185 9537 6725 5780 6838 5797 4913 4264 3523 3549 5033 4191 4969 5337 6839 6352 6493 6336 6415 5538 6936 7626 6018 8115 1897 3665 4143 5745 6176 10550 9367 3897 3266 5946 6357 4938 5110 4671 7204 3862 13635 12806 4591 4864 183.0672 183.0672@6.3010006 3957 3650 6970 6560 3599 7184 9353 8231 6649 5769 6954 183.0672 183.0712@1.3634001 4183 4594 4219 5934 3448 183.0712 183.0812@2.8755002 2995 3456 183.0812 183.0876@7.5325713 7954 8968 9661 2254 3346 2111 2661 183.0876 N,N-dimethylhistidine 2866 3462 6748 6602 2916 14148 13766 2472 2682 3658 2902 3093 6440 6118 9805 9943 9550 9033 9877 11187 4192 3689 4213 4378 2504 2818 8504 7797 3050 3115 8907 9855 3800 4544 2552 2781 5565 7012 3471 3249 5538 5507 2349 2569 4694 4590 3834 3442 3990 4107 50007 49645 183.1016 183.1082@2.279 1862 1816 4891 3666 3591 183.1082 183.1243@1.303 12085 183.1243 183.125@1.255 11322 5241 183.125 184.0202@6.4360003 63337 62327 23439 24497 184.0202 184.0211@6.317 2355 2289 184.0211 C5 H4 N4 O4 2449 4021 5480 6235 4970 8376 5319 4644 4776 5011 13028 11769 8783 7727 13178 5669 4341 10252 7653 7971 8015 8242 8862 9110 8908 3593 7969 8855 12023 12295 1854 8990 7824 7472 7054 9878 10737 5072 4785 5846 7546 6623 8820 9013 6580 13543 8885 12245 8476 7194 6953 9905 9010 8228 3800 5546 7795 8282 6084 6905 8699 13117 13527 6995 9217 8401 10740 9117 9333 6477 5568 4650 5953 2807 6084 5716 9542 9098 184.0242 184.0267@2.2584445 3141 5381 7412 4792 2884 7189 6334 6062 7293 184.0267 184.0269@2.0595 1598 5839 4546 2891 5414 2198 8351 8588 184.0269 184.0282@1.4517499 5958 2727 2816 2735 2588 3573 3379 3452 184.0282 C15 H4 3654 7752 7181 4850 8805 5555 2266 6792 5927 3296 6366 7123 7749 11335 6124 12450 12133 11658 4419 12075 7641 5762 2868 2385 12689 2541 6838 11088 9192 9429 8149 3625 14490 9057 11870 10200 6513 10638 8655 11760 4669 10373 1936 6739 5412 9299 5015 8322 12044 3456 9986 13763 2994 12514 14481 7324 12236 2495 8132 6171 8164 3392 184.0298 184.0312@1.4834999 12696 8785 16152 5162 2696 8346 2341 3496 7590 4287 12267 9503 6664 14958 6177 9218 184.0312 184.0321@2.2294002 2698 2249 2842 1993 2271 184.0321 184.033@2.066 4150 184.033 184.0337@1.529375 4588 7903 7407 3300 3755 4799 2961 4046 184.0337 184.0396@2.183 3024 184.0396 184.0463@2.2416668 4710 8755 3901 184.0463 184.0515@2.244 5354 6305 5455 4586 7235 184.0515 184.0525@2.405 2940 5461 184.0525 184.0572@2.7323334 7054 7386 7976 184.0572 184.0575@2.788 8243 184.0575 184.0577@2.2460322 8157 9513 11753 13643 17054 6000 6491 9532 15527 8577 9242 7637 6395 10073 9655 10771 11278 2779 14066 13460 9947 9302 8615 9126 10732 10921 3907 10581 10259 5836 8374 184.0577 184.0589@3.4435 3395 3587 184.0589 184.0593@3.535 3789 184.0593 184.0598@2.246923 16570 11790 21156 9882 28562 31766 9879 9180 15147 20273 33685 33932 10604 9856 18222 19379 19281 17273 20603 20428 24742 20700 23434 59630 59216 184.0598 184.0617@2.154 2492 184.0617 184.0642@2.796 5599 184.0642 184.0746@2.1280003 4336 4772 2033 1563 184.0746 184.0765@0.762 2892 184.0765 184.0812@2.166 2569 184.0812 184.0815@2.1188886 7682 41287 43426 4342 8268 4082 6247 4526 5155 7192 11896 3865 7022 3902 3896 5261 5051 4365 6098 2121 2881 10010 6885 7165 3736 2533 6327 184.0815 184.0832@1.896 3514 184.0832 184.0833@1.631 1965 184.0833 184.0881@1.651 1563 184.0881 184.0887@1.8410001 3117 5021 4284 3246 184.0887 184.0896@1.102875 41411 41367 57355 55051 34828 33033 15477 14415 184.0896 184.0959@1.7429092 4909 11624 6764 6453 2999 6733 4988 13802 6971 10055 15214 184.0959 184.1021@1.0834999 2920 4031 184.1021 184.1039@4.072 9729 10428 9799 10775 4906 4605 184.1039 184.1092@1.489 3735 4576 184.1092 184.1129@1.127 9031 184.1129 184.1185@1.863 4949 184.1185 184.1197@3.0119998 7972 5216 8866 184.1197 C9 H16 N2 O2 805266 827220 626757 644123 805961 822314 1668351 1712458 467414 470431 767877 782819 640338 653593 383651 382195 448867 447245 636270 657960 580308 578305 339341 336252 322462 319461 201884 197144 65092 63276 867986 860313 505818 503655 644779 642827 437984 431540 820191 840800 632597 621980 394203 400024 725916 715214 382977 384022 726633 718780 1241492 1236792 537734 539219 548306 515315 429007 434895 892415 903396 771283 778079 321492 325147 454831 466273 710126 737819 157274 157706 1309001 1334830 419447 419821 750839 751080 1396311 362775 1393053 412784 413634 952260 967702 947959 1153605 1160933 1004933 1012216 829208 799130 811273 798816 184.1216 184.128@1.0715001 4618 3293 2919 3897 184.128 184.1444@1.135 1921 2273 184.1444 184.1948@4.0345 3998 3707 184.1948 185.0612@3.73225 5669 14299 27402 29635 185.0612 185.0615@3.95575 48917 47274 101348 103818 185.0615 185.0616@3.784 2130 185.0616 C3 H11 N3 O6 5018 5095 5873 6541 5309 5152 5693 6318 5511 5638 6045 5915 5423 5450 5792 5900 4908 5363 5389 5355 6902 6978 5134 5244 5136 5534 3624 4278 4582 4519 3734 3926 3064 4463 4774 4792 5688 5785 4822 5216 4112 4520 5153 5166 4532 4757 4467 5541 4956 4742 4694 5476 4939 5813 5768 9240 9776 5583 5354 3627 2827 2848 5295 7392 6723 3654 4247 5057 5252 4216 4053 3373 4118 6547 6838 6008 5936 6364 5667 5401 6208 7687 5109 4742 6408 6514 185.0666 185.0671@3.0133748 4763 3291 10215 10740 8050 7184 7428 6510 1932 2750 5476 5794 5765 5649 6383 5257 185.0671 185.084@0.762 1874 185.084 185.1051@6.614 5756 185.1051 185.1052@1.3526665 3197 4522 4712 5194 5097 1396 185.1052 185.1056@1.4059999 2844 3319 185.1056 Ecgonine 47506 47019 59487 61647 71490 66694 69645 72510 45322 44019 69865 70463 38415 38824 25050 25595 43356 44747 34996 34185 46566 46642 32682 32114 29822 31296 83582 83949 57894 60692 53955 55316 35602 35977 49548 48909 42581 43282 24824 23282 45591 45248 71542 70285 70385 69770 30762 30256 42837 43135 46912 48966 57408 58698 34737 33669 51983 52709 45273 47114 35076 35982 39401 39192 60287 62555 33708 33448 46141 45304 47547 46341 42842 46128 44031 43539 71513 71734 47467 46985 31381 32569 33229 61488 57270 50850 49194 62998 64371 37876 39055 185.1059 185.106@5.727295 5236 1982 2787 3104 3359 2971 3515 4447 4567 7774 8111 5606 4760 4307 5423 8590 9273 185.106 185.106@5.692 3049 185.106 185.1228@2.958 3080 185.1228 185.1348@1.204 4638 185.1348 N-methyl-Gabapentin 3410 4231 4544 4397 4816 3431 8454 8457 3135 2471 3320 2613 1900 8527 7596 4442 3578 3027 2374 2747 2395 2731 2242 2490 2322 2410 2631 2897 3391 2672 2430 2356 3367 3330 3445 5053 3869 6248 2955 6883 7165 185.1418 185.1424@7.01 3961 3452 185.1424 185.2139@3.798857 5864 9496 2685 4225 3394 3741 3381 185.2139 185.2146@3.81 10301 4601 185.2146 186.0206@0.8305 2457 2503 186.0206 186.0489@2.013 4445 186.0489 C12 H10 S 16176 17769 10720 10441 11797 11530 8666 11669 12294 8447 8831 4111 4008 15693 15427 10750 11865 14187 12746 10850 9569 5256 5416 5778 5550 10855 10136 15077 15707 9658 9646 13919 14985 9122 2676 13900 12066 13918 13221 4779 4247 4870 5069 10057 9586 8791 8688 7980 7896 3015 7471 8710 9880 9499 9490 10807 8354 12523 8666 9294 10429 9591 9651 10371 8499 8639 8716 8904 8188 9479 7755 12115 12560 11780 6886 8126 6113 7509 6017 4175 4056 6737 6544 4851 5040 15653 15617 186.0499 186.0512@2.342 123385 186.0512 186.0546@2.035 2340 186.0546 186.0588@2.056 2131 186.0588 186.0621@2.0384 4669 5072 5730 5071 3019 186.0621 186.0675@2.047 3194 186.0675 186.068@2.804 3784 5250 186.068 186.0717@2.7759001 7531 5037 5112 2842 4107 6050 5340 8555 2812 5302 186.0717 186.0736@2.0836668 6326 4954 2070 186.0736 186.0908@6.5369997 2140 1414 186.0908 186.0968@6.5425 1891 1759 186.0968 186.0992@1.218 4978 186.0992 186.1085@6.555 2226 186.1085 186.1199@1.0786 8763 8871 18584 19563 4191 4273 35424 36473 3493 3461 186.1199 186.1269@1.1035 3452 2748 2708 8001 4269 3667 4074 4497 186.1269 186.133@1.207 4928 186.133 186.1365@2.2143333 2813 5349 4445 186.1365 187.0477@3.7315 3880 4140 3934 4076 4046 3784 3936 4188 187.0477 187.0479@3.3600001 3833 3565 13162 3102 187.0479 187.0521@3.741 6817 187.0521 Indoleacrylic acid + 5.610031 41745 3461 44743 45563 40718 38387 19610 15039 37971 2862 31505 32138 30927 33256 18481 19370 36331 35379 17474 29818 50951 51524 15535 15998 36819 20979 41911 51896 36194 38403 18804 61811 12875 28492 38677 38593 28073 13734 32875 30332 15258 14095 34303 41522 35379 33743 36064 34992 49702 49307 46317 29255 55946 35330 17946 30481 41939 42583 44198 24859 1370 1800 26455 27739 16772 16967 38212 36802 30011 30238 33879 20759 36328 35778 44326 44948 45679 40576 48149 58716 56863 45041 32745 40637 50006 51319 41857 39156 43287 42126 47796 48475 HMDB00734 C00331 187.0623 187.0624@5.534111 6562 34037 86815 4083 107015 53101 20430 31763 35165 187.0624 Indoleacrylic acid + 5.505976 38848 68100 67330 43804 45809 44582 35600 55232 56162 31745 27549 41922 47568 40094 39187 78982 77892 51203 50967 39150 52045 40229 60036 57294 62559 28418 47972 46937 58049 49295 39136 39001 21680 60640 1646 53977 65252 59721 45544 46169 62739 61629 73143 70739 73678 73121 33594 54922 53886 56368 65110 65891 57700 58840 51004 49205 57686 63536 52532 53385 51814 52360 47292 15575 53828 59173 70577 68677 53815 48896 57603 64642 62685 63118 58152 59421 1502 4841 4399 23067 21857 HMDB00734 C00331 187.0634 187.064@2.5230002 7334 6292 3665 2484 3892 3766 5592 7094 5619 5346 4675 5398 3981 61278 60363 187.064 187.0641@1.1072856 2368 11820 10762 1903 1848 2093 2518 187.0641 Indoleacrylic acid 51229 49846 29162 30192 8857 8324 37430 38297 4170 4399 53187 51363 63323 61050 37366 35990 6564 86406 5012 5155 29981 31449 11638 12021 1720 39579 38663 39347 10537 9873 5253 5460 13406 13818 105409 9567 24090 24691 139816 137735 21283 22319 20595 1615 25526 25314 12677 13254 10764 8317 9344 9289 19215 19809 2848 2837 17786 17675 11015 10099 17413 17897 22882 22168 14360 15355 56783 58352 41734 42052 23594 23384 26360 25111 15407 15402 12689 14220 12760 11402 11064 15922 14933 18323 65277 62982 60802 57870 38356 38567 59795 58952 HMDB00734 C00331 187.0641 187.0865@1.21 2324 2043 187.0865 187.1139@1.504 1792 187.1139 187.1195@1.502 4039 187.1195 187.121@1.129 2402 3957 3828 4217 4713 187.121 8-Amino-7-oxononanoate + 7.294702 17338 17712 7209 7509 28777 26598 25830 26885 16855 16968 17993 18772 10879 2463 11812 12114 17213 18508 15975 15961 18640 20065 7131 6281 12134 12382 15523 14941 17198 18641 27015 26413 9541 9535 16653 16385 10846 10607 11701 12258 22506 22703 11091 11203 7334 7227 17245 17808 13203 13049 24733 25348 16215 14732 8621 9875 10715 10919 23135 23897 11490 11704 9222 9777 21886 23762 10173 10983 9955 14826 20936 21231 8999 6271 10695 9401 27096 28345 22863 21454 10056 10445 9209 26741 24979 16686 18149 7112 7593 19135 19319 C01092 187.1216 8-Amino-7-oxononanoate 8088 13754 9355 8523 268967 275838 281169 272479 12117 9785 28970 28003 358297 365109 5869 4555 5449 4464 9635 6240 10803 23332 22835 9289 10235 5828 4853 6343 5053 5704 28202 27996 6699 7296 20590 23034 1751 24622 25454 5426 11262 12272 6788 5684 9550 7756 C01092 187.1218 187.1221@7.315 8506 6512 3371 187.1221 187.125@1.427 7091 187.125 187.1564@1.2355 2101 2103 2952 2680 3598 3236 187.1564 187.1691@8.6555 2591 2287 187.1691 N1-Acetylspermidine 8276 9983 8749 9522 7383 8091 8730 8244 7510 7448 6654 7795 7055 7836 6955 6570 8612 7475 4596 7317 5902 7887 10065 10419 7860 6860 12011 11720 8540 9327 10611 9991 6335 6401 7604 5574 7724 7475 6611 7197 8155 8868 6223 6572 6997 8202 7915 8552 6899 7574 14891 9095 9091 8005 7838 7578 7209 12381 11582 6267 6428 5956 6418 6997 6897 7324 7071 8201 8945 9270 9271 7861 7865 9936 10444 11422 14784 7642 7488 8986 9889 9953 9863 10571 11127 11104 9524 9414 9499 10514 HMDB01276 C00612 187.1692 187.1802@5.425 1802 1680 187.1802 188.0198@3.5100002 8974 9155 20682 25927 188.0198 188.0418@1.5695 3841 3970 188.0418 188.0526@2.733 5078 188.0526 188.0646@7.1549997 2444 2593 188.0646 188.0745@2.2845001 18564 18770 188.0745 188.088@3.1694999 6196 6375 188.088 188.1326@1.077 4005 22356 188.1326 188.143@1.074 5360 4611 188.143 189.0102@0.7890769 3218 3753 3131 3680 12324 5832 2140 2366 4953 2371 7519 7056 3626 3476 7743 8509 4795 5116 7577 8097 34817 36787 9271 9248 19342 19194 4418 4211 2849 3184 2675 5261 5477 5380 4497 4475 13581 12850 189.0102 189.0112@0.848 6842 189.0112 189.0751@2.054 9864 189.0751 189.0789@1.1513999 9591 8751 5348 5172 6535 189.0789 3-Indolepropionic acid 6551 6451 14013 14146 4648 4296 5876 4999 1698 14488 15639 6644 5902 2118 2120 3543 3657 4086 3705 2419 2531 2509 2717 2208 2779 4092 4055 3279 3027 3160 3195 6241 5922 15985 15517 3190 2951 3775 4320 8983 8204 4393 4189 7035 6912 9183 9215 26541 26035 4824 5185 2088 1799 1720 5080 5152 2930 2967 4386 4524 24760 24124 5125 5271 1805 10709 9641 2915 3988 2808 5702 4867 5330 2718 3123 5989 HMDB02302 189.0804 189.0817@2.0635 8787 8558 4644 4160 3961 3000 3124 5457 6769 6043 5918 2937 6959 189.0817 189.0828@2.1670952 17831 16037 6714 6419 8037 7226 8242 4522 3919 17548 1995 5225 5819 9983 15481 14965 12447 7608 16171 5188 189.0828 189.0829@2.172 12692 189.0829 189.084@2.2173998 5262 6543 7761 2365 4382 4348 13365 6890 6739 189.084 189.101@2.4264998 4967 5114 189.101 189.1179@1.247 1763 189.1179 189.1188@1.2111579 12791 12707 14842 15092 5030 4425 3924 3890 19159 18333 2693 2685 3745 7210 8799 6584 4031 1721 2042 189.1188 C5 H2 S4 4947 5367 4755 4629 5026 5098 5021 4728 4404 5095 4631 4835 5159 4891 5290 5003 4916 5104 5063 4806 5102 4835 5432 5001 4845 5295 4374 4856 4715 5124 5597 5304 5075 4758 5061 5656 4777 5228 5318 5506 4441 4703 4666 4473 4568 4768 4070 4544 4555 5124 5103 5325 4406 4489 5402 5216 4603 4796 5119 5603 5135 5057 4764 4769 5624 5257 5339 5421 4215 4671 4954 4438 4784 5284 4564 4627 4765 5208 5264 4999 5147 4941 4873 5171 5054 5441 4708 4789 5285 4923 4996 4957 189.9043 C14 H6 O 6622 8521 7556 7114 7539 7673 18218 19575 7412 7404 8081 8025 7593 6945 4807 5854 5186 5710 5058 4857 5418 5464 5736 5066 4759 6716 5969 3484 4395 7335 6934 4719 4589 5165 5324 4845 4735 9093 8165 6113 5324 4097 5729 6963 4583 5313 5595 6169 5419 6670 3771 4311 3818 4126 4208 5357 13838 14839 7181 7302 7417 7013 6745 6417 4222 7899 3334 3949 4090 4450 8607 7862 3297 7081 7518 7043 6269 5672 9598 8522 5594 5668 7279 7291 190.041 190.0422@2.165 4961 190.0422 190.0659@2.03805 5214 12243 5613 8054 10631 8902 9654 3354 4653 18095 17510 7880 8407 4279 10118 8724 12813 7448 8251 11527 190.0659 190.0726@1.962 4357 4490 190.0726 190.101@1.2555001 10298 18432 190.101 190.1042@1.1570001 11139 3171 190.1042 190.1072@1.1515 4014 2819 190.1072 190.111@6.572 3551 3770 190.111 190.1115@1.206 3120 190.1115 190.1165@1.202 2576 190.1165 C10 H14 N4 2552 2043 3487 2411 2871 2964 2903 2572 2922 2612 2559 2085 2479 1951 2117 3018 2961 2811 2611 2076 2207 3105 1606 2293 2198 2312 2791 3046 2608 2568 2664 2676 4910 1888 3420 5136 3304 2840 2041 3034 3216 3088 2194 2242 2346 3451 3001 2673 2119 2692 3494 2985 2072 190.1202 190.1289@2.9025002 7896 7846 190.1289 190.1294@1.166 4116 8562 6118 190.1294 190.137@1.1025 9143 8613 8503 5850 7917 5737 6328 8668 190.137 190.1391@1.104 2346 4547 4664 4541 5621 190.1391 190.1481@1.103 1833 190.1481 190.153@1.131 3875 190.153 190.1611@1.0985 4396 3249 190.1611 190.1701@1.0680001 1604 3945 2972 6584 5816 3761 4498 3402 3798 4250 3714 3343 5109 3682 4171 4269 2299 3463 4000 2773 2568 3587 4390 1871 1987 4485 2352 2645 190.1701 190.1729@1.067 3101 190.1729 190.9915@1.2435 2645 2536 190.9915 191.0199@3.4105 5263 8358 191.0199 191.0256@0.75715786 4065 4481 2666 3187 15307 14918 8072 7040 2224 4468 4349 3990 3591 3776 3033 4354 4526 4548 191.0256 191.0326@5.713818 2243 2323 2367 1958 1948 1953 1846 1982 2126 1846 2419 191.0326 191.0586@1.7051816 4184 5002 4954 5297 6330 6177 3370 4576 4321 3532 4233 3307 5515 4634 9321 9516 9133 8987 3724 3163 14145 14608 191.0586 191.0613@1.463 2749 191.0613 191.0647@1.701 3894 191.0647 191.0846@1.6412858 3599 11817 11818 4246 4950 14571 13751 191.0846 191.0895@1.635 7054 191.0895 191.0944@6.761 2516 191.0944 191.0955@6.524 2269 191.0955 191.0981@2.279 6497 4563 20481 19385 9612 10626 6621 191.0981 191.0984@2.20625 3233 2982 5531 5693 191.0984 191.0997@1.215 7079 5319 6266 6744 191.0997 191.103@1.2098 2571 6024 2767 8115 191.103 191.1084@1.2078 3297 4080 4845 8722 2980 191.1084 191.1327@1.1210501 2254 2331 2517 1662 2864 2135 2286 2381 3337 6021 4928 3730 4475 2252 2595 2100 5173 4286 3471 3370 191.1327 191.138@1.1169499 3434 3468 2965 3125 2567 2780 4951 4270 2597 2980 2148 2097 2075 2360 3213 3021 2580 4450 4504 4640 191.138 191.143@1.1 1667 191.143 191.1521@4.5424 5820 9987 1685 1388 3326 191.1521 C9 H21 N O3 + 4.6502824 33444 27171 19987 20367 25407 27056 14950 16853 19829 19232 13984 15253 20988 22580 15760 16003 20411 21696 16811 16697 25851 25542 19672 21600 13493 13193 25816 24652 11749 13174 28878 28686 15676 17180 17057 16853 17370 17459 27125 27567 30789 31950 26157 26220 16581 17332 22481 23210 21756 21675 21802 21276 20663 19106 28791 28820 17733 16952 19028 17923 18562 16603 27408 28281 15793 16843 18610 19019 26050 24116 35379 36204 30140 31334 42031 38808 23442 21620 23692 10970 11402 12736 13463 13113 31872 30443 17684 15772 27486 27235 19920 21192 191.1528 C9 H21 N O3 129114 127857 72880 68423 99701 103158 56171 58846 74852 71481 51577 50038 83178 84656 53108 53459 77978 84050 58983 58406 93767 95411 84162 86158 49250 49118 94061 91405 50565 49897 112367 113946 56485 58388 79791 79112 75667 76386 114155 113806 122513 127461 94261 92592 60900 62106 86066 87246 91720 91913 81399 80510 71831 72476 103074 102052 57288 52653 69374 68635 63026 65209 116142 113065 77226 67600 67653 68504 96033 99777 133801 133820 102801 106035 149068 148192 91654 78947 88934 41661 41290 47559 48364 46672 120677 120992 67150 66798 99761 98431 82489 81965 191.153 192.0808@1.671 3095 192.0808 C8 H16 O3 S + 1.609081 25083 30893 24200 33497 15717 36855 38702 75000 75563 3183 13353 11327 14425 5021 7007 2610 34768 29011 3483 27608 9849 13428 5506 5858 52865 59335 25561 25788 3350 51546 39253 38624 32995 27177 87520 90111 192.0817 192.0832@1.119 3939 192.0832 C8 H16 O3 S 2820 3991 24823 12025 11879 6600 13076 9155 7786 11206 8565 4422 10255 16439 8950 8625 6778 18137 21489 8074 8910 14862 16128 4944 13632 8827 10887 7317 9509 13936 15023 28926 7729 12430 11257 7220 9279 11579 13344 18077 9097 9038 192.0834 192.0887@1.1176667 2973 2983 3078 192.0887 192.0897@1.946 16387 24043 192.0897 192.0906@2.9067502 9403 9176 32103 26712 192.0906 192.091@2.18 399901 403017 3788222 3767054 104765 102248 192.091 192.0914@1.929 3008 5859 8209 192.0914 192.0914@4.303 3138 2931 24532 26353 192.0914 192.1171@1.148 8132 192.1171 192.1231@1.142 6396 192.1231 192.1359@1.2856 5164 9591 4101 9181 79864 52777 2881 12181 17560 19180 192.1359 C9 H20 O4 16726 12077 19206 10672 17063 15083 10262 7869 10227 16264 24447 13097 8903 11637 15609 23579 15482 20576 18907 19348 18964 20604 25765 22738 10752 15068 14865 14648 20730 21607 15326 18688 13675 13707 15761 21109 14326 11754 11161 13020 5599 15554 14942 19472 9180 8894 15060 10469 20177 17569 19872 19628 17278 18610 22891 18442 15237 8773 26193 18091 607747 621370 11583 9762 12280 13880 14676 18066 12841 10955 26346 24767 18084 22440 17703 20833 17839 16470 21087 15849 10458 14349 11634 15636 15005 18042 24691 15334 169176 165131 20487 15061 192.1367 192.1382@1.2600001 5565 5626 5172 192.1382 192.1452@1.1779999 3893 4416 4007 3256 2503 11395 6486 192.1452 192.1478@1.1771429 3774 4161 5429 4705 4545 3433 9647 1462 5240 1635 4832 5962 2597 10537 3430 2850 1749 1273 8744 5521 6936 4230 4152 6768 4039 3714 9806 8547 192.1478 192.2076@2.1704998 4356 4145 192.2076 193.0753@2.1946666 4509 6567 7080 193.0753 193.0772@1.1391 1627 4438 4274 2546 2235 1795 2719 2028 1703 1570 193.0772 193.0778@1.894 2304 193.0778 193.0814@1.137 2034 2460 193.0814 C4 H11 N5 O4 22698 28619 23926 22515 23225 24534 24640 23175 21426 23440 23628 22209 21747 22629 21458 20100 20605 21379 21848 24079 23598 28228 24273 29026 25444 31440 27099 19771 19360 19466 21703 21732 20685 19549 20649 19985 20017 11437 20765 23263 23057 23747 23798 28162 25955 27585 27716 24028 23609 23893 28839 25457 28460 26748 25751 22054 25342 19216 20173 22500 22472 22194 20498 19446 25465 30187 25958 24657 26719 27614 26106 21902 25053 25183 24359 25801 20893 22360 20719 24024 25462 28185 29656 25482 24153 193.0815 193.084@5.651 1221 193.084 193.0882@1.214 1543 193.0882 193.0962@1.2106667 1933 2482 1707 193.0962 193.1035@1.213 2681 2586 193.1035 193.1095@1.22075 3479 4982 12428 13261 11315 10709 4685 4062 4584 4740 4040 3760 193.1095 193.1158@1.244 5065 193.1158 193.1278@1.4368334 11896 12841 9038 9107 7124 8242 193.1278 193.1279@1.229 2491 193.1279 193.2112@2.1755 5226 5781 193.2112 194.0594@5.8025 19249 2315 194.0594 194.0702@2.4518125 55597 58404 15273 11630 30020 2933 4247 4193 3435 12105 3080 4815 12597 12795 11920 15201 194.0702 194.0706@2.423 7007 194.0706 Caffeine 65946 74271 948840 990283 663307 709078 123461 124045 669897 669400 472864 449223 743141 778606 64967 64635 315325 322852 1079643 964026 517153 519294 242813 242441 325498 334212 311452 303915 331100 325023 676934 668422 811277 804761 167496 165074 117286 112264 722865 717612 232810 228528 531912 525178 36154 470243 465980 54052 55961 1731028 1778526 136642 147457 143689 138496 770621 708528 148764 133673 471919 472545 48164 30970 48659 750380 753046 632092 631778 590616 58071 52159 903916 848726 150071 153420 218033 202914 HMDB01847 C07481 194.082 194.0875@1.3554286 59769 39613 130680 26493 34188 62099 25814 194.0875 194.0906@1.362 27706 23582 24004 194.0906 194.0966@1.36225 6431 16083 17007 26842 194.0966 194.1069@1.416 3922 9329 194.1069 194.1105@2.9143333 16332 73065 67814 194.1105 194.1111@1.42 17658 194.1111 194.1113@1.6627837 41704 39599 28934 31090 43595 45007 35473 38166 30211 26411 19810 45991 44225 34536 27157 37615 21589 19420 26695 27342 32576 54979 53758 16004 18577 34719 40068 44919 49038 27406 40915 57680 57468 41567 42810 25225 194.1113 194.114@1.2321249 7142 9262 12323 4341 13760 32104 35264 23877 194.114 194.1153@1.7088333 80326 28258 19582 20309 15968 17473 33066 4143 22450 4122 16457 6324 48854 26447 15092 21273 32542 22980 194.1153 194.1154@1.382 2589 194.1154 194.1156@2.0740001 6396 5169 15124 194.1156 194.1156@11.829 2481 194.1156 194.1156@2.164 10955 194.1156 194.1157@2.04168 6070 21618 6764 7729 13280 5190 6321 11756 6997 4442 7244 9156 7283 4660 8615 11599 11992 9724 8940 8412 19756 5890 6626 6492 14800 194.1157 194.1157@0.828 9150 194.1157 194.1158@2.820143 10073 7904 3633 6179 14990 37183 23184 194.1158 194.1158@3.26875 3559 5642 5393 5211 194.1158 194.1158@1.2149999 6907 4854 194.1158 C8 H18 O5 123768 123808 30997 135520 65408 108064 79755 69487 78994 77978 132934 145122 74314 70214 73340 119735 129974 92959 288956 296627 140455 144249 160448 158422 147773 146671 176891 164492 107908 111248 122265 124684 262665 256726 147375 151097 131241 127575 231220 233139 117959 137529 101506 88416 96020 106303 192742 185773 88669 59952 188967 199490 121335 79021 135387 96392 137250 143538 325481 335568 69008 72987 113189 123708 61903 63066 105208 112746 136434 141063 168801 170959 106291 101418 119230 102885 95335 35691 97003 172859 173533 139432 125000 124127 94761 140960 138283 141383 142983 114358 115598 106482 194.1159 194.1159@0.68437505 11004 41520 47418 11666 16114 8870 6157 9844 19505 19518 26026 24810 11282 18990 11199 41533 194.1159 194.1159@0.90296865 38309 20921 37655 31251 8427 27436 22021 14271 19916 9981 25138 8203 30630 21612 24570 17370 31007 39391 13465 37421 20563 19805 29817 30967 18682 32395 14776 14899 29983 14415 20954 20601 194.1159 194.1162@0.8518572 15906 17754 6620 16143 5608 16382 15261 194.1162 194.1164@4.16 3707 194.1164 194.1166@1.028 2522 194.1166 194.1181@1.1708 13700 8853 4946 4796 5107 9346 7009 11370 12483 11461 38019 5357 41948 9497 7598 194.1181 194.1244@1.048 194.1244 194.1968@1.2801052 5154 9101 10079 5365 5633 11980 11130 7174 6794 6393 6113 6146 4071 12479 11280 10565 10501 10035 10172 194.1968 194.2337@1.774 3272 194.2337 194.2435@1.28125 1553 2311 1999 2254 2398 1834 2062 3909 194.2435 195.0528@2.0608125 71876 3789 28267 149839 8545 10528 7493 1694 2127 6935 6782 5839 4525 3274 43693 44855 195.0528 Salicyluric acid 69318 34972 8497 5341 23162 27257 126430 121671 11593 13795 21410 20506 14532 13919 11937 12129 35631 24858 4069 45405 45237 25409 22154 26098 21398 97288 102475 20959 20503 36310 40027 37017 34339 31383 29864 5421 24966 24192 7348 8260 287639 283484 HMDB00840 C07588 195.0541 195.0581@2.119 101782 90518 98289 195.0581 195.0871@1.3701667 7626 5903 5077 2645 6789 9997 195.0871 195.0928@1.374 2864 195.0928 195.0958@1.876 3162 195.0958 195.097@1.8936667 5207 4002 4595 2653 3975 6115 195.097 195.1081@1.88 5368 195.1081 195.1092@1.6475 2754 3681 195.1092 195.1193@1.7998002 2506 1460 2816 10509 6694 195.1193 195.1215@1.213 9428 195.1215 195.1256@1.207 7330 195.1256 195.156@1.4949999 3557 2976 2724 2012 2996 3960 195.156 195.1621@4.7536 2620 2670 2435 2970 2934 195.1621 195.2@1.287 2728 195.2 195.9804@0.75149995 5492 5523 6526 5409 4335 4256 195.9804 196.0622@2.0444 16286 4769 5337 6083 2450 196.0622 196.0642@1.8767693 4685 7670 6762 4279 6533 4101 4361 4897 5449 4282 10109 9225 196.0642 196.075@0.912 5966 196.075 196.096@2.3525 10518 9344 196.096 196.1116@1.314 6451 10426 4387 196.1116 196.1207@1.5615001 7914 4729 196.1207 C10 H16 N2 O2 + 1.4428535 7056 6812 5448 7179 7917 7829 5900 5553 8223 5010 4397 4935 7604 6528 7657 4929 3878 5273 7505 3679 8114 8545 7167 7981 5139 4109 7103 7433 8564 6935 3592 4001 10434 7774 4771 5543 3080 5655 4661 6472 6335 2725 4165 5390 7492 4288 3581 6685 6574 4538 4194 3837 3735 7062 8182 2858 4316 2724 2752 22900 2767 4045 3354 6853 8947 7820 3945 3824 15433 15333 5460 3560 4083 2535 196.1209 C10 H16 N2 O2 24778 31329 6093 12065 12794 11571 10672 11483 15062 11293 12291 12176 15951 21339 21163 8801 7396 22549 24247 9475 11115 6048 5302 18525 16713 10249 10513 26541 24421 15249 15839 11131 10851 15929 16545 13411 13775 26761 26224 10243 11875 7960 8804 23790 25867 18795 20941 12972 13571 13153 12344 14086 7670 9090 21067 21523 10640 10715 19126 17154 10903 9434 10431 8989 5487 5095 3855 28195 3172 10150 11164 13966 9334 15166 18162 18296 27397 26536 26350 25428 22242 11327 9821 11713 13162 10784 11907 196.1213 196.1332@1.072 3516 196.1332 196.1412@1.1658665 2051 1764 5354 7521 11545 2412 4913 4659 2625 3188 4318 1832 3339 3293 4048 196.1412 4-dodecynoic acid 53690 52870 66807 69929 4623 3991 28679 5067 43013 13357 42893 45012 1943 21447 21785 54311 54021 43668 39556 3676 79421 81095 36218 27008 22597 3405 35927 27655 30373 2913 38157 32840 46565 34769 35372 26559 15434 44591 45214 30465 15857 19631 2310 56469 18240 51779 52615 65569 65769 57414 44086 58169 29818 2476 4133 92871 92623 218753 213761 196.1467 3-dodecynoic acid 12590 9844 5389 4831 22265 17907 11962 11297 19040 20499 23367 74012 21191 21111 2310 55314 54525 16642 79135 13049 13449 51152 47081 14716 48538 35707 18214 16400 18960 21773 21650 8726 9439 31520 67592 12885 24950 9295 50056 17204 14896 8159 4285 70571 30678 15621 60329 12211 12451 30497 8247 28461 11537 8242 7729 23404 19516 21082 21645 11330 57092 15735 13104 17215 33856 10868 11542 25705 23820 16358 88127 11261 39740 16596 16009 12726 10193 45961 18673 18880 13724 13182 41528 12494 48689 10462 10113 5482 10089 23258 9737 196.1469 196.1487@1.09675 3917 4524 19638 17930 196.1487 196.1538@1.229 4954 3868 196.1538 197.025@1.112 2496 2350 197.025 197.0251@3.536 183575 178198 197.0251 197.0254@3.3365 7080 6254 197.0254 197.0302@1.267 4039 4674 197.0302 197.0465@6.5527997 2355 2216 2818 2429 5263 4985 2414 2456 4362 4704 2668 2538 1696 4702 4563 197.0465 197.0516@1.5343 23151 20633 31750 32544 3781 5594 49447 51995 40737 43357 197.0516 197.0517@1.2838334 20053 20638 150816 150967 18972 20008 12877 13349 193408 200834 16866 15685 67687 68508 284208 285621 269079 271208 197.0517 197.0519@0.8043335 20426 20817 37502 35500 3114 3441 67591 70627 4921 4546 29821 33139 3414 3438 2406 3020 5470 5518 19044 18625 18467 54606 54354 197.0519 197.052@1.3845 2763 1498 5337 5779 197.052 197.057@1.3510001 4800 5132 197.057 197.0579@1.8925 5457 9246 7420 7290 197.0579 197.0691@1.4245 6318 6305 197.0691 197.0758@2.1880343 5254 7909 5103 5053 6734 5789 7436 9588 15620 16268 3051 4346 4704 5038 5365 3762 5360 4467 3878 6301 5473 7473 9188 7114 8207 3906 4363 3089 3619 197.0758 197.079@1.248 10983 2386 197.079 197.0812@2.1843336 7443 3817 4679 197.0812 197.0839@1.2498335 12610 1759 2584 3794 2835 197.0839 197.0907@2.3328 4725 5229 10816 5577 6365 197.0907 C7 H11 N5 O2 + 2.7686858 197264 377434 199861 134415 149503 363479 184211 99685 78948 99174 409075 232120 556546 314430 85272 528865 347464 201918 199822 183664 290284 397662 223485 177468 165613 72615 696653 118970 594692 193348 307297 730094 262284 202216 153890 176949 389438 261110 224371 241073 127854 617052 727001 286754 213568 194328 100449 192235 44060 421531 97501 87115 102688 281556 197.091 197.0911@2.8585 7049 6635 6003 239712 197.0911 197.0912@2.7855 486916 10575 197.0912 197.0913@2.7107651 176492 253046 632787 835312 271509 1036025 753115 322261 171595 1730993 693171 633564 531222 1828525 682489 672779 812892 529975 617103 342577 210640 346897 431989 479108 441030 381069 345513 720778 527760 597210 226616 257480 788784 995022 197.0913 C7 H11 N5 O2 1116797 1177858 966498 879859 1002122 1075510 890093 874713 740500 655831 782216 1545440 1205735 1239855 1354036 751446 20494 1049661 1108734 974523 842046 846461 888151 1194772 1159130 7534 925256 633384 985601 2472 4054 665934 681140 3157 851935 671666 958390 867491 1982258 1205832 934837 919093 917268 813822 1034819 1703856 1219104 1336518 894071 711495 914738 847706 661239 5701 1053488 1104143 1042493 999065 1271202 197.0915 197.1171@8.634 5874 4320 5302 6919 6393 6735 6701 3738 4589 6194 5988 5520 4630 8018 7359 197.1171 197.1396@1.3618332 11593 6296 4349 6066 4555 3283 197.1396 197.1466@1.3263333 1808 6270 12398 197.1466 197.167@1.1947501 12321 2371 2603 4135 197.167 197.1748@1.127582 3516 4328 24375 38895 5406 3842 3983 1580 2243 10143 2329 1921 2370 2837 2426 4716 5105 4267 8251 8703 3976 25159 29284 2794 2839 2250 6059 2208 2411 1903 6295 6185 7163 6657 5360 4577 4413 6762 6014 7084 7848 5032 6137 3796 8086 4920 7841 9247 2825 2756 5614 5531 17701 17649 47412 197.1748 197.1763@1.103 7635 7795 8560 8112 6056 6750 7138 6811 2428 3252 197.1763 C12 H23 N O 34557 34982 37732 40050 30166 29764 6819 8400 23804 27143 37043 36504 19864 10049 37304 37652 28170 27179 26160 24587 53285 33390 26722 24808 23577 22974 16394 16503 15520 32724 32142 21846 24616 26177 39317 30844 28548 35730 8987 9669 26294 27735 24852 27127 20380 22221 20060 22153 33677 31844 30031 26925 22183 32937 27619 28748 31502 31461 31238 31252 26391 27709 23812 22227 30005 33747 32151 43795 30605 29070 36891 36896 43361 36568 38423 38174 40294 17238 34910 21631 22004 21533 24631 23777 35167 32547 40142 40832 28626 35287 20003 23571 197.1773 197.2081@2.709289 11665 17050 20047 18244 7324 20710 9145 11485 20006 39574 5240 8853 11426 12093 26395 16908 7321 36162 39570 15343 21407 22120 40563 24530 22147 40978 20705 7326 22611 22141 20863 15331 15336 20800 19853 42081 12745 19294 21609 13974 18189 16969 48554 21501 28638 197.2081 197.2084@2.6158652 20486 31800 24930 32241 24541 26007 26716 16545 21529 17813 16765 35099 21127 34109 31154 37601 36960 20418 25751 27877 32444 23255 25484 27291 19562 23055 29685 30119 4056 24791 20941 24462 23678 39138 13025 17107 20276 16827 43828 18337 22029 12260 48653 40779 23612 21936 44521 42811 16466 22799 23295 22412 40139 22001 22651 30284 26757 22062 26554 24045 44689 43181 15055 37435 25002 23347 27242 48730 1960 23271 36693 20928 41197 39871 197.2084 197.2086@2.7336001 7091 7301 6561 20074 18706 9424 14558 24904 24063 15613 17165 7561 20639 7968 19333 8970 14307 18139 1328 17843 7150 12602 9173 20832 28391 197.2086 197.9838@2.3923333 7496 7544 7437 8502 8857 8280 197.9838 198.0566@3.7345 7463 4347 198.0566 C7 H10 N4 O3 20807 23619 75057 72782 58885 41549 22621 25831 31365 31254 45251 74297 44899 47479 37848 38616 10254 7640 16042 14986 157926 162001 18793 18518 137058 140011 18948 19338 24180 24081 39719 39035 54956 55546 21672 26119 51945 50872 68097 68488 15373 15375 38080 38895 11182 11217 6339 7897 29914 43257 23603 24508 18594 10958 22526 25923 12650 13690 22575 20184 18507 18835 29397 42361 41370 10576 7418 145366 145834 36171 34858 18984 21192 198.0761 198.0761@2.2408001 34226 18593 79408 13254 22890 32439 3354 23268 57262 10185 198.0761 198.0767@2.1976154 54892 5858 25603 18171 49390 24806 38682 10972 61492 11736 23553 20385 24221 87527 16745 10363 21707 7806 17654 360469 4190 2914 106759 5056 20416 35633 11200 18474 59768 15653 68665 116546 11890 120967 40555 39290 67755 63529 198.0767 198.0776@2.0958178 196109 108471 9759 15925 41324 48648 86509 94279 29200 14321 15970 45763 34168 18490 126425 33899 15146 18719 138069 41634 48367 11082 40509 37932 47243 7244 29719 10290 13891 63002 27805 26690 46905 198.0776 198.0833@2.1106362 17052 5680 18330 6695 10471 3972 37009 19039 24145 13864 11277 198.0833 198.0846@2.186 8345 198.0846 198.0882@1.9475 4173 4436 6504 3047 198.0882 198.0938@2.118 10366 12987 8868 10848 198.0938 198.094@2.0805 3233 25644 28877 31766 25112 4839 198.094 198.094@2.5890477 44232 41556 49050 36057 32789 24562 78385 31988 46922 39903 38391 45837 49329 37498 22305 43172 30666 43231 32142 53476 35351 198.094 198.094@2.7263443 31373 48085 40456 33858 55143 46077 44312 55607 36199 67122 26959 49525 51327 71758 56319 60431 26044 26532 17637 50076 30225 20917 48741 25552 24851 37172 62254 50419 53921 198.094 198.095@2.6415 16627 15898 198.095 198.0983@2.0700002 12101 10558 198.0983 198.0987@2.169 8075 198.0987 198.0999@1.5795001 5381 5426 15968 18235 8191 11330 198.0999 C9 H14 N2 O3 7988 9612 5222 3274 120749 129625 4765 5798 13385 6929 5486 4433 5408 13640 9057 4749 4314 5798 6207 7724 4259 5817 10039 5657 5030 5840 4467 11412 13093 27803 27304 11052 15638 11616 3376 23371 31949 6135 6250 5095 198.1013 198.1023@1.6573999 7610 3696 4089 3137 3308 198.1023 198.1285@1.655 4545 198.1285 198.1326@2.917 1901 198.1326 198.1331@2.84975 4570 4763 4732 2075 198.1331 198.1364@1.7367501 6162 5360 8860 3470 198.1364 198.1387@1.735 6311 198.1387 198.146@1.239 2071 13925 14015 198.146 198.153@1.2118889 3654 3205 1679 1504 2196 10643 1715 2251 2209 198.153 198.1581@1.1340001 12623 9706 198.1581 198.1623@1.143 16495 198.1623 198.1625@1.158 6658 6257 13242 27426 2246 21893 21355 19573 198.1625 9-lauroleic acid 24259 23084 12672 14055 71062 71638 25302 24973 40651 43150 78920 77742 66377 65557 10201 10254 51430 51380 39301 38350 29110 23381 18541 16379 33348 33218 49070 48155 52099 51157 56623 57536 24778 23986 32729 33280 23629 25016 26928 21728 43232 43555 19494 20022 62495 61554 33539 33430 40767 38310 20521 18529 32617 33085 25527 23273 68615 67629 44293 44051 37997 35775 36501 41369 34108 36151 27749 30305 88143 70701 62291 62660 25142 25874 27637 27364 59350 43692 57995 36637 36168 30575 29574 28048 40642 39481 23123 22634 30073 23470 23887 31721 LMFA01030041 198.1626 198.1688@1.2024444 6332 7963 4321 4517 5272 5548 5506 6863 9077 198.1688 198.1738@1.1478 2864 4536 10459 9972 7642 7625 4140 3128 6518 7063 198.1738 198.1787@1.1296667 2631 1459 8829 198.1787 199.0403@1.21 8230 199.0403 199.0688@4.250889 7898 7163 3713 4317 2900 3093 5133 4993 4958 199.0688 199.0803@2.11875 7382 9715 5033 6713 5518 2642 11110 8082 2649 2015 9188 12945 12264 4302 19221 12904 9526 8282 2910 199.0803 199.0812@2.181125 2945 5792 3755 6699 3298 2383 3393 199.0812 199.0858@1.132 4129 4621 199.0858 199.0867@3.215 5248 199.0867 199.0874@2.085 12199 16419 4788 9764 5918 199.0874 199.0875@0.901 4517 199.0875 199.0879@0.6522918 4179 5302 5331 3413 5583 4313 5472 4280 4432 6289 5917 3421 5632 2598 4279 4511 3762 5088 1614 2707 5028 9079 8791 6526 199.0879 199.0955@2.6506577 18698 15191 4623 5658 3817 11070 10595 11009 15646 16861 7705 3129 4220 6391 2672 5777 5117 19412 5591 13220 5394 6390 12067 9505 3433 9173 17420 13448 13898 2825 11327 13750 7694 3302 5049 5940 11983 199.0955 199.0955@2.5859232 3971 3619 4510 9330 17294 12204 12713 1820 11937 12118 5871 8294 5208 199.0955 199.0962@2.675 5054 199.0962 199.1016@1.551 2252 199.1016 199.1025@1.603 4966 199.1025 199.1215@6.841846 2991 2629 2759 3023 2083 3242 3647 4654 2469 3445 3220 3077 2797 199.1215 Ecgonine-methylester 8649 9866 13669 14116 12675 13417 15527 13669 7984 9248 9864 9326 5695 5336 2918 3274 8557 8896 6911 6550 13435 13775 8500 8181 5207 5207 16410 16553 14205 13447 10270 10866 4774 5294 11116 10441 5733 4856 10671 9497 13699 14073 11901 11292 7275 6957 9476 10206 10413 10612 8283 8419 6236 6610 9102 9733 9364 10235 3379 4705 6708 6048 11017 11551 6066 5612 11040 10049 7723 7931 8660 9514 9407 9155 14530 13646 11790 12281 6120 6917 7611 16475 16633 5188 5384 6674 6339 9156 9300 199.1219 199.1325@6.567818 3070 2776 3214 3182 3861 3267 3734 4489 3179 3441 2086 199.1325 199.1329@4.7765765 16976 20515 6568 8459 17052 17677 18109 29565 12616 12495 19344 21491 9215 9446 10273 10406 8322 12824 12511 10261 4510 19775 7813 11365 18772 17768 199.1329 199.133@4.852333 12961 9866 6915 199.133 199.138@3.0376 6008 5419 7582 8762 3404 199.138 C11 H21 N O2 14193 16876 10342 14495 12551 10801 15413 15066 8567 8304 8356 8608 11852 12821 8834 7356 15041 12669 11375 8236 8895 8293 7938 10056 6594 7522 15927 11264 9950 8956 8234 5473 15945 17342 16507 13308 13070 199.1574 199.1629@1.108 5123 199.1629 199.1694@1.1048888 12188 1321 1510 1591 1513 10439 2243 1361 1815 199.1694 199.1852@1.133 4747 199.1852 C12 H25 N O 7522 6823 6487 6775 3057 4939 7285 6744 5100 5973 5853 5616 5076 5652 7224 3678 3470 5133 4931 4508 4446 4315 3761 3049 5914 6458 4872 5373 4822 4382 6675 5495 2852 4337 4848 4470 5454 5112 4427 3751 2553 2047 3592 3702 4718 4256 4248 4477 5762 6902 4763 4629 4307 4243 5605 5152 4879 6221 4618 4669 4882 5080 6162 7183 4728 7023 6190 6904 7169 6987 4832 6754 3545 5068 4541 4749 5499 5843 6865 6703 10217 9688 8738 9363 199.1927 199.1937@1.132 7141 7068 7313 199.1937 199.2307@3.9675 43155 42268 199.2307 200.0152@3.0110002 36563 37517 200.0152 200.0406@4.13 25930 26163 200.0406 200.0406@4.682 9853 9798 200.0406 200.0407@4.455 4228 3939 200.0407 200.0408@2.7480001 4690 8102 200.0408 200.0416@1.2025 4530 3632 200.0416 200.0423@3.964 4414 3959 200.0423 C12 H8 O3 10136 9234 6291 5632 3476 5638 5275 6109 5678 10788 10020 4644 4271 2781 4728 4579 7234 8784 11404 11869 3196 3409 4096 4304 3675 3787 13642 13056 4891 4291 2366 10100 10386 2821 6844 6245 19878 21196 2805 3286 2942 3046 3451 7748 4840 7607 25802 27484 14911 16167 16242 7569 8206 20140 19979 11226 11156 200.0487 200.0836@2.43 4082 200.0836 200.0852@1.514 4634 200.0852 200.0948@1.293 2730 200.0948 200.1053@6.373 2717 200.1053 200.1063@1.187 2935 200.1063 200.1127@3.137 3547 200.1127 200.1201@4.4435 3626 4143 200.1201 200.1292@4.8575 5653 5874 200.1292 200.1306@4.35 3072 200.1306 200.15@2.0507998 4218 4370 6072 8600 6257 200.15 200.1503@1.2045 2345 1738 200.1503 200.1511@2.08175 7843 6568 14442 7161 200.1511 200.1531@6.6736 2770 2868 2188 2982 3335 200.1531 201.0408@3.0073335 17818 28110 159175 201.0408 201.0568@3.895 2672 201.0568 201.0629@3.9137 8484 7581 5862 5071 8075 10072 10204 7638 3370 8731 201.0629 201.0635@4.108667 5488 5845 9373 201.0635 201.0637@4.272 4244 201.0637 201.0729@1.12 4503 201.0729 201.0773@1.088 5003 10153 201.0773 201.0798@1.382 2823 4473 1710 201.0798 Carbaryl 54210 52949 86709 86173 78301 67976 122769 127754 20756 19204 44336 42541 33447 33679 10566 11704 3565 4106 44697 42805 17680 16465 24040 24685 5546 5582 8365 7565 7184 7298 16580 19079 25730 24012 33255 33915 16992 17347 51244 50623 23135 23454 24204 25163 20473 21943 13867 14202 18297 16339 11334 11413 13464 11425 5851 6198 14179 14826 23303 24167 23440 23350 30865 34129 20333 21382 57407 58764 8458 9122 12117 11205 19739 23985 28126 27111 92203 37284 91037 7874 8999 16423 14791 19311 16075 17035 20305 19571 6510 6693 24651 25899 C07491 201.0799 201.0967@3.027 9766 9601 201.0967 201.0998@2.489 5836 201.0998 201.1014@2.4925263 6444 6037 6823 6661 5278 4717 4406 4992 5709 5305 3306 4641 7389 7046 4464 5147 5132 7107 5449 201.1014 201.1099@1.77975 4750 3824 3760 4697 201.1099 201.1123@6.4003634 11098 13140 7555 6583 10986 7898 4937 9028 6787 3467 5819 201.1123 201.1124@6.4425 6298 5165 201.1124 201.1138@1.823 6912 1786 201.1138 201.1158@1.0467 7381 7731 16378 17171 4598 3109 5750 5524 8662 8506 201.1158 C13 H15 N O 3049 22347 22997 30147 31403 804022 765897 160596 169509 473593 486900 1516182 1507191 2055077 2012960 38339 38860 14527 13378 43657 45768 42780 43088 54225 55359 2278161 2277523 1144889 1134081 58867 57706 13138 12433 17084 17420 1297131 1277046 54683 54358 308532 303934 53519 55161 20079 20838 5037 5021 102348 100653 35727 35088 7062 8164 5966 5867 5755 5637 6039 16337 16708 12779 12849 37886 37365 201.1161 201.1238@6.5559998 3364 3872 201.1238 201.1321@1.3750907 3783 17082 17631 6784 4351 3284 6011 6097 5114 13957 13399 201.1321 201.1326@2.2732499 4294 1963 2400 2548 201.1326 201.133@1.3210001 3832 1498 201.133 201.1353@7.238 3339 4677 201.1353 Capryloylglycine 13833 12006 13684 13713 10934 12424 17871 15759 8419 5519 10054 10493 5260 8526 9158 7092 13486 9474 10731 2529 18470 13652 8178 11209 31501 32586 25978 24520 14170 12096 6925 16053 11673 6668 5181 4080 8655 7950 6459 5165 16378 16638 18911 6566 18341 18690 6428 6148 11036 10979 6378 11824 18948 7071 7864 21157 19881 HMDB00832 201.136 201.1473@6.779 5211 201.1473 C9 H19 N3 O2 8414 10378 18506 20745 31540 26495 35929 35732 25787 26686 30649 32021 24587 25580 3762 3954 4404 4320 5677 6323 3159 4069 15016 16515 14678 15598 2751 5336 5668 7763 8986 13999 13724 24790 24786 13365 14091 9668 10050 7525 7589 13750 13695 9219 10065 5822 5637 16753 18742 19593 20897 21958 5147 5587 2434 31139 32162 201.1483 201.1696@1.214 2314 2077 201.1696 201.1735@4.972334 14813 13515 13029 13664 22740 23457 201.1735 201.2368@1.6466665 1912 1623 10388 10670 5311 5289 201.2368 201.8491@1.643 1420 201.8491 201.88@1.649 3135 201.88 201.9098@1.651 2199 201.9098 201.9332@1.646 2551 201.9332 201.959@1.651 2185 201.959 201.9931@0.706 4574 201.9931 202.0019@1.1917143 4178 1440 7732 5076 5299 9156 4095 202.0019 202.0324@3.01 15626 202.0324 202.0348@2.1156666 6291 2120 2936 202.0348 C4 H11 Cl N2 O5 5228 15742 20809 4922 5311 10779 3529 7407 3553 3147 8168 8119 1983 5394 9400 19192 3758 3405 3183 7424 5377 4529 7961 7280 9727 5202 7981 7241 16470 14042 8073 7330 4724 10005 3998 5037 6897 3315 2702 5893 5926 5843 11976 11474 3971 5113 1493 4730 2709 202.035 202.035@2.1991177 5858 3972 3918 3021 6019 3241 3706 4778 4600 6641 6419 3790 1763 5272 6573 2724 2886 202.035 202.0363@2.8565001 3028 2568 202.0363 C15 H6 O 8240 8533 5169 3157 5041 3588 1407 6254 7247 3698 4642 3744 2075 4414 7743 4023 3168 1861 2640 2944 2463 3128 6772 2658 1810 3100 12238 7208 202.0433 202.0439@2.103 2073 202.0439 202.0455@2.551091 12347 5146 2130 16863 14577 9443 4381 5079 26811 10576 11138 202.0455 myo-Inositol 103832 72539 105688 85850 65555 66738 143526 96459 57570 129176 110124 86454 70085 98259 126585 6002 112181 83684 96407 125535 61423 2275 75086 52976 63695 69547 71309 64201 68970 76838 97168 2137 81792 42657 134193 102076 86734 3752 71469 87884 6156 88183 75895 C00137 202.0455 202.046@2.634 8222 202.046 D-Glucose 346566 230754 283582 287876 257465 268627 149394 236640 245300 258993 389128 88852 346261 265256 253547 244002 462299 288928 170113 229950 158255 420875 175103 214345 315243 322281 434338 432041 217597 307241 148902 100195 168963 166047 103593 105533 115749 220841 95992 231539 167671 344206 515883 520125 290330 326176 396059 425706 141642 255847 107151 113551 384662 377567 180038 219495 363854 172930 193842 180104 217779 205052 270319 195051 129685 99708 357553 346504 423260 202529 136306 263583 217140 154703 410229 413694 228463 283141 308379 295294 194454 218397 142360 234649 224107 11143 35496 168431 301698 306391 246128 HMDB00122 C00031 202.0461 202.0463@2.7172217 12557 191109 267003 4873 227922 206564 143331 199938 136385 257737 244700 186150 266095 253284 74853 36334 35521 57627 202.0463 202.0466@3.67 7309 202.0466 202.047@3.37 2932671 202.047 C9 H14 O S2 6037 6840 23642 24569 5083 5631 5645 13466 13661 3353 6211 7208 6760 3345 4077 15735 13983 8766 8806 3462 19974 3126 16241 17797 7418 17116 17770 4605 7114 7133 22750 22338 4739 5578 5435 18278 18671 3272 9795 9095 4523 2164 202.0482 202.0541@1.3741666 5138 2445 2187 3280 2995 2906 2238 1808 2884 3005 3103 2328 202.0541 202.0623@1.3510001 1446 5079 3669 3068 202.0623 202.0674@1.3505 1318 2635 202.0674 202.0709@1.3673334 4226 2178 1863 202.0709 202.0804@1.357 8768 202.0804 202.101@1.8163333 4728 3531 2123 2591 4166 6117 202.101 C10 H18 O2 S 11751 12127 10630 9879 8618 9301 9293 6820 11012 9338 7214 8936 8356 8228 7616 8608 16366 17345 7114 4394 10614 10248 4161 6239 8156 7444 15632 14423 10209 12305 5709 10078 12111 11203 9634 9886 10210 10678 9117 12358 11665 5806 6318 7663 4474 14322 13331 6935 5365 8130 6815 6962 6307 11195 10792 11990 12481 7722 7963 9565 8668 7454 3841 9111 11407 9860 9644 3108 10519 10296 5567 5532 6339 9834 8510 7650 202.1022 202.1101@1.7835999 8393 8491 10257 4681 8818 202.1101 202.1122@1.7735 4107 5272 202.1122 Ala Leu 10055 10571 9302 7823 13077 13394 36985 37324 9811 10081 11233 13222 9563 9046 13362 12660 4635 5436 12584 13650 6250 5135 5216 5073 9573 9370 3998 3926 18790 19063 7734 8119 10058 10455 5324 5961 17611 17557 15332 16027 5346 5293 7016 7312 6911 7168 7252 6888 25188 24097 8964 9241 6117 6380 5905 5159 11381 11432 14731 14846 4916 5568 6759 7624 11823 11021 2337 17149 16965 5664 6143 16646 16518 17488 18292 11406 11575 12516 12353 12261 12042 10342 13466 13532 8751 9191 14989 14022 202.1324 202.1372@1.2104 2162 2844 2567 2304 2532 202.1372 202.1427@8.604 3300 202.1427 Asymmetric dimethylarginine 5979 6117 7131 2572 5061 5690 8892 9797 7586 3229 4830 3832 4955 2687 5992 6450 3524 3274 6622 6550 10214 9493 5284 6266 6416 8614 8683 8175 7524 8623 8152 7188 7668 6132 5290 2934 6788 7915 7797 6525 8503 4721 HMDB03334 202.1435 202.1642@2.721 1663 202.1642 202.1647@7.233 2543 202.1647 202.1662@2.76 2063 202.1662 202.1668@3.471 15709 202.1668 202.2145@3.374 23622 202.2145 202.2398@1.649 4493 6961 6219 6499 6998 2221 2955 3122 202.2398 C6 H9 N3 O3 S 27741 30301 28805 28307 24375 28195 19917 19783 26147 26498 24125 23229 22346 22986 27850 23524 27511 23636 23472 23794 36768 38528 21713 25466 25771 24504 25840 23206 24289 23010 25877 21837 21162 27386 31000 24175 23803 26026 24711 20706 21322 25604 28685 23585 24888 22961 20685 30373 30177 31908 32350 22007 21074 21090 19853 26306 5800 29830 29306 26124 26963 20848 21797 24539 25904 27785 29237 24096 22861 19487 22151 24632 24700 24084 26357 29617 29958 29187 36717 37212 32109 3079 28105 36473 35609 25677 24950 25623 23276 26278 25383 203.0352 203.0499@2.7482002 20147 13928 4348 13177 19375 4981 16008 3061 4678 6118 27759 4138 6452 16888 15077 25429 4234 7653 5070 6201 11801 25699 25061 2797 5576 4243 27118 4747 17248 5828 203.0499 203.0509@2.786 3864 19116 21292 19030 2217 203.0509 3-(3-Indolyl)-2-oxopropanoic acid 10589 10605 11846 10406 14891 16466 5071 5262 12165 12262 11939 11503 9754 10007 8795 7846 15191 15527 7131 8042 19558 19906 6917 8397 15448 14697 18374 16991 11694 12556 13623 12772 9063 9070 16444 16345 7313 7204 11934 10546 10143 10724 17975 19408 9763 9261 14609 15363 21790 22354 23508 23213 10275 11081 7818 8010 10263 9927 9151 9984 8681 7976 9483 8509 16795 17585 12473 12630 14072 15508 12339 12327 13704 13357 14304 15152 10541 10408 9915 13598 13955 14975 14491 14405 16758 15244 15338 15125 9121 10347 11832 12179 203.0569 203.0812@1.0264 2789 2939 2441 3890 4500 203.0812 203.1166@7.2552857 136141 28805 58325 45799 35253 13563 62257 100213 11213 99816 12390 89491 142519 220001 203.1166 203.1166@7.339 8288 203.1166 203.1167@7.257 50129 11961 203.1167 Isopentenyladenine 2103554 2153498 1942423 2092969 2732343 2713726 3822432 3887971 1877900 1879858 2616084 2615674 3413832 3377702 811014 819522 2269298 2265828 3871659 3876738 1650991 1650270 1469627 1482421 2236518 2266327 2099996 2083907 1663231 1672491 2952554 2950602 1729224 1662260 1936809 1841472 1703462 1693499 2650925 2605931 2057631 2098573 1636739 1660255 2609127 2582527 1972618 2029606 1762188 1807210 2180779 2171136 2475830 2514926 2972267 2987940 1657214 1694807 3628627 3732147 2220971 2228884 1678819 1688463 1897244 1905706 1821493 1835901 2385415 2190994 2721519 2680840 1630586 1627069 1488620 1471140 3721364 3688321 2895974 2907743 2216768 2195408 2274853 3283939 3121992 2897407 2900302 3358973 3164657 1521368 1512799 HMDB02313 203.1179 203.1409@1.206 5658 203.1409 203.846@7.1875 2845 3336 203.846 203.8511@7.187223 2369 3052 1012 2932 2064 2151 3227 2740 6071 203.8511 203.8651@7.1900005 2710 5059 3358 2828 203.8651 203.8692@7.179 2079 203.8692 203.8725@7.1972 2747 1808 1188 2929 1465 203.8725 203.8799@7.192167 2740 2560 1526 3271 1818 2961 203.8799 203.8867@7.1905003 3293 1416 203.8867 203.8943@7.1946664 1471 2788 4102 2999 2628 2752 203.8943 203.9009@7.1813335 1182 3896 4381 203.9009 203.9064@7.186 3354 2374 1361 5577 2990 203.9064 203.9129@7.188667 6124 2860 1809 203.9129 203.9193@7.176 2226 203.9193 203.9254@7.2045 1961 2693 203.9254 203.933@7.183625 2295 3717 2866 3627 1334 4389 1182 4781 203.933 203.9486@7.185 2061 2975 2472 203.9486 203.9525@7.1856003 2140 4204 1698 4395 3545 203.9525 203.9592@7.184 2247 2633 3316 203.9592 203.9662@7.1926665 1034 3558 2340 203.9662 203.9705@7.184666 4553 2198 3036 203.9705 203.9757@7.1958 1677 1663 4895 1004 4530 203.9757 203.9839@7.1902 2496 2996 2792 2295 4652 203.9839 203.9884@7.193667 1328 3067 2811 203.9884 204.0001@7.183 2638 1757 204.0001 204.0039@7.168 1226 204.0039 204.0111@7.179 2458 1543 204.0111 204.0197@7.1949997 1705 1336 2651 204.0197 204.0261@7.168 1207 3050 204.0261 204.045@1.434 204.045 204.0528@2.79 8243 4586 204.0528 204.0595@3.859 4791 204.0595 204.0621@3.75 12404 204.0621 204.0625@3.162 3531 204.0625 204.0634@3.1897933 4320 8372 5603 7992 6689 6159 4651 4580 5127 40134 7738 8425 12596 11842 6251 6500 10611 11326 7355 6502 5867 6304 5229 5961 5157 5283 6686 4602 5275 204.0634 204.0702@3.145 2078 204.0702 204.0732@1.116 108239 117031 204.0732 204.0789@0.72199994 3080 5836 6131 204.0789 LEVULINIC ACID, 3-BENZYLIDENYL- 9216 8714 6743 7231 5242 4364 4616 3829 5506 5323 7823 7218 7207 6839 8998 9330 5637 5550 8966 8885 4571 4769 6984 7745 7563 8842 3162 2993 5072 5154 5581 5317 6104 5601 6014 5932 7552 7181 4200 4522 3106 4124 5863 5808 4593 3906 5456 5159 5648 5795 5265 6061 6924 7080 5744 5507 4986 4393 6235 6852 6870 7429 6497 6362 5124 5119 4339 4055 3420 3151 6143 6341 7469 7273 5257 4980 5676 6404 5209 4938 5297 5241 5246 5401 4560 4568 8161 7757 5171 5349 5735 7495 204.0796 204.0817@1.06 1435 204.0817 204.0892@5.554834 2187 3852 40256 36073 4481 6975 204.0892 204.0927@1.222 4554 2283 204.0927 204.1142@1.213 5609 204.1142 204.116@1.1654999 77168 78797 204.116 204.1182@1.0935 7295 6264 204.1182 204.1201@7.2767496 4738 2568 4277 2116 204.1201 204.143@1.0876666 3881 2296 6509 204.143 204.1501@1.0725 19179 8077 7929 41579 204.1501 204.1508@2.9305 9379 5309 204.1508 204.2396@7.1849146 5880 5079 5566 6745 8224 12533 12657 3747 4704 5922 5830 10610 11255 4311 6238 11899 13695 3679 2902 3600 4363 6417 5867 5912 3023 7366 9320 4023 3591 3621 3449 6643 7483 5421 4910 2638 6556 6725 1775 4333 3635 4302 5507 4544 6425 5097 9581 8901 4233 3832 12876 12830 4535 4166 4007 4408 4188 3863 5808 6852 5708 6472 3014 2236 3207 1995 13460 12865 8387 7458 6005 5115 4635 10550 10070 8651 8090 11270 10183 3052 2211 204.2396 205.0222@1.5048063 27499 34812 37942 23084 44339 27645 25577 35586 36907 23046 28180 37059 35760 23179 49257 19695 39780 34361 38655 39796 35100 15418 14828 24530 32627 36058 18127 41277 31955 29025 37892 205.0222 205.0237@1.553 4142 205.0237 205.0282@1.802 4569 205.0282 205.0318@1.849 3170 205.0318 C7 H11 N O4 S 41643 35659 29270 32096 57627 55145 88101 90820 55760 53751 45293 48429 53977 53219 42564 48490 34860 31533 39455 43301 20541 19763 30344 26638 55713 50658 34840 31744 64108 73504 41272 43509 40879 44394 47287 47367 77839 77537 21127 21241 47997 49875 69860 73156 34721 40997 55358 47898 28812 24333 27012 25689 48251 48302 51279 47077 54154 62848 36466 45578 66357 58027 41477 42325 41901 44316 84856 93176 14509 12775 42954 44726 70879 69200 69099 16760 17313 27378 29097 28843 21327 20391 70551 70306 12515 13536 97122 93334 205.0418 205.0441@1.339 17352 205.0441 205.0483@1.2692499 13676 6593 8961 9485 205.0483 205.0608@2.83 1841 205.0608 205.0648@1.391 3937 205.0648 205.0742@2.9998748 6914 7052 8377 11825 8634 5185 6332 21683 205.0742 205.0744@2.34 5430 205.0744 deschlorobenzoyl Indomethacin 80396 124138 19438 19971 30348 25188 38962 27386 8686 8226 20781 21206 54319 53569 70615 68567 12725 11735 6795 6535 16857 12892 7215 6345 11599 10120 30091 25623 14191 13657 10552 5811 113843 113094 16864 20024 3255 6118 24764 25855 21034 17608 9240 8757 9658 10025 11299 12150 20167 19403 100835 99011 34782 40582 4159 6625 18131 17699 80781 78015 36870 34543 3337 8607 7394 9202 13930 13394 24082 21876 20135 19044 75811 33325 25309 12127 11424 6500 7991 17371 205.075 205.0752@2.4864001 37760 23329 19417 30471 24505 205.0752 205.0753@2.6844168 38275 5104 9296 11746 6411 7914 3066 7284 9066 9687 10803 3283 205.0753 C8 H15 N O3 S 5110 6591 5850 6785 6786 5991 6379 8342 6629 5191 5771 3377 3917 4735 5408 4334 5001 7133 6772 7766 6736 6006 7605 11333 10907 5040 4241 5634 5146 11781 12034 5739 3638 5525 4327 4451 4199 4180 18687 14237 205.0762 205.0775@1.3970001 4076 3531 205.0775 205.0805@1.8145 3816 2219 3694 3633 205.0805 205.0839@2.776 3702 205.0839 205.1114@4.4185 5720 6936 205.1114 Normeperidinic acid 2810 2722 4550 4696 3225 3821 2503 4028 3561 5687 6129 3698 3328 2553 2694 3919 3632 5083 4714 3545 3090 2665 2699 5215 4247 4624 5157 3467 3559 3572 2606 2918 3883 3852 4438 4140 4611 4970 3581 3267 3370 2589 3892 3137 2797 2701 4916 4732 7338 8103 2987 4056 205.1116 205.1152@1.188 3126 205.1152 205.1473@3.95 12258 13199 205.1473 C3 H Cl3 O2 S 16740 21562 13530 14034 14801 14858 12426 12427 12624 12485 14457 14412 14175 13865 15915 16225 12493 12841 15051 15075 17317 17246 17632 18401 15634 15039 12499 12861 12267 12260 18154 18852 12566 13824 14758 14498 14724 14482 12774 13818 12897 13684 11886 12138 13089 13736 12572 12203 12292 13003 15041 14856 12765 13237 14084 13804 13774 13300 17445 16502 13294 14547 13415 13207 16047 15863 14747 14118 14101 13288 12056 12328 14703 13926 12422 12159 13462 14170 13823 14969 15050 15616 15429 14767 16882 16640 14275 14165 14881 14605 15331 14583 205.8786 206.0061@1.426 3314 4403 2527 3463 3767 2990 3765 4501 206.0061 206.039@4.3985 36413 34552 206.039 206.042@0.772 4789 206.042 206.0462@1.503 5629 4618 206.0462 206.0522@1.3945 1729 16952 4339 3380 4992 11068 8296 10708 206.0522 206.0524@1.3734446 56609 55709 157582 154973 16626 14506 23825 41203 42606 36670 28954 13332 11264 9288 7322 158375 146546 206.0524 206.0539@1.2215333 22701 27164 4106 9627 8921 12664 11742 6907 5961 3505 7985 6925 103160 106970 206.0539 206.0588@1.29 1625 206.0588 206.0831@1.12 6025 206.0831 206.0837@2.575 2235 206.0837 206.0839@2.5285 2592 4625 206.0839 206.0842@2.0233333 30698 4525 6001 5468 3052 2833 206.0842 206.086@1.9265001 16663 15076 206.086 206.0869@1.6426667 4729 5182 2450 206.0869 206.0875@2.118 27443 45039 206.0875 206.0898@1.1719999 4808 1679 206.0898 206.0914@2.535 4223 206.0914 206.0945@2.965 2687 206.0945 206.0953@1.6472499 3756 4585 4010 3967 206.0953 206.0989@1.389 3905 206.0989 206.1028@1.14 2228 2441 3519 4302 1675 2639 1470 206.1028 206.1032@2.898 20196 206.1032 206.1062@1.147 3037 2472 1614 206.1062 206.1064@2.8856 7166 14877 8172 5034 6790 206.1064 Phenylethylmalonamide (PEMA) 20243 22296 17486 22229 15482 14730 20292 13673 10822 13452 14224 17382 17541 17394 10342 2768 8575 12606 6444 8879 17515 2248 16540 15242 17996 11236 22409 18122 10217 10988 23848 13916 13791 16494 15117 20705 13577 14235 21336 21144 2080 9141 11978 12538 19846 7229 4709 13044 13417 11663 23889 C07499 206.1065 206.1074@1.1803333 929747 967114 2930 4920 2685 1953 206.1074 206.1104@2.94 3776 206.1104 206.1119@2.00925 10110 9871 7871 9093 206.1119 206.1151@3.2687502 21698 21997 7012 23042 206.1151 206.1162@3.145 3484 206.1162 206.1163@5.8365 5920 5689 206.1163 206.1165@3.1333332 16985 5444 2183 206.1165 206.1204@1.19 2033 2706 206.1204 206.1414@1.083 3056 206.1414 206.148@1.1462 4888 3303 3093 2600 2759 206.148 C6 H18 N6 O2 19412 14385 8283 10996 11382 11264 11572 14365 22907 18247 20541 12248 14686 18550 14677 16818 17185 14321 12353 21278 16781 16186 11072 11681 6926 8567 14097 17985 10102 10682 8408 7402 20891 17816 12841 10192 17991 17768 8720 7502 14408 13898 14188 11635 10837 12011 21444 21413 12056 20520 20854 14506 16915 15218 15938 17161 24133 21644 16577 24713 15081 18305 19505 16007 14189 14128 8768 15246 19658 20114 22530 21419 22890 14744 23274 13508 22151 11669 12048 11031 9470 10230 18410 20462 29873 28270 16011 15328 15923 15525 206.1513 206.1559@1.145 2853 206.1559 206.1653@1.1075001 3442 9018 1722 3348 206.1653 CARYLOPHYLLENE OXIDE 3483 7027 8123 13297 4289 6481 6274 8196 7926 7436 7891 7557 8041 4214 3825 10450 4749 2812 7136 9109 13148 12475 6914 14702 6799 8551 1877 5330 5401 3017 3148 4834 4971 7674 8595 5165 4785 7353 6534 2640 3584 3697 9162 16357 6084 6203 4458 4208 5333 5562 5614 5569 4920 4459 8726 8424 4928 5964 4147 10333 4079 4193 9166 4856 9186 5424 8410 4086 3545 4224 4999 4769 3341 3123 3185 206.167 206.2003@5.750263 2501 1600 1717 2760 2846 3040 3184 3411 5167 5848 3217 2976 3618 2213 2554 1375 1609 4540 2569 2767 1915 2040 2174 8621 5521 5379 14830 2541 2282 2333 1623 1516 2153 1821 6594 8046 6585 3846 206.2003 207.0236@0.7315 3889 3926 207.0236 207.028@0.74000007 5840 6187 4628 4487 3549 6354 6301 207.028 207.056@1.578 4793 207.056 207.0905@2.081 7055 207.0905 207.0929@1.2399999 2978 2265 15228 13922 2036 6356 5327 8483 2776 7581 6491 7538 13654 207.0929 207.0937@1.323 3533 207.0937 207.1033@1.2228 5359 4273 5927 5427 2359 207.1033 ciclopirox 3301 4800 6493 5802 8548 6694 10330 10237 5801 3955 9448 6834 4759 4408 2847 5332 4497 4715 8242 7116 4806 5618 4015 7641 7930 4531 5295 5357 4641 3598 4613 4409 9906 8508 8725 6492 7870 7223 4684 6114 4993 4285 4187 8282 8122 7430 6272 5829 5437 5027 6233 6617 5776 9244 9575 4640 6305 10110 9634 3736 207.1256 207.1274@1.2045 1954 2001 207.1274 207.1413@1.2045 2489 2566 2963 1717 1452 20130 207.1413 207.1561@1.19975 16204 25787 4554 5564 207.1561 1-Phenyl-2-(diethylamino)-1-propanol 5908 3803 3329 4714 4718 4955 3455 2636 5852 2664 6190 6335 2135 4026 3855 4765 5015 4854 3976 3491 4975 4833 4038 5393 5951 2511 5762 3793 3551 3915 11534 11053 11931 12415 207.1628 C4 O2 S4 3519 2996 3166 3204 3253 2815 2916 2778 2635 3213 2887 2758 3113 3241 3643 2673 2869 3181 3368 3853 3649 3791 3992 3429 3316 2644 2464 2810 3718 3716 3205 2694 2935 2849 2866 2783 3272 3129 2842 2658 2725 2606 3186 2828 2784 2792 2656 3321 3008 2705 2901 3147 2781 2968 3015 3714 3680 3186 2807 2894 2766 3413 3661 2716 3185 2784 2867 2934 2389 3107 3223 2624 2692 3331 2998 2642 3115 3262 3708 2934 3487 3737 3358 2924 3012 3471 3318 3116 3367 207.8763 C9 H8 N2 O4 140581 141657 135635 134193 137055 136134 361275 364586 132321 131926 151110 153471 138078 148600 91859 90037 110122 110129 103821 106861 87486 88450 101823 101030 97070 94541 120312 119864 76598 80037 140224 140444 91376 90632 95687 94491 98642 96347 150199 150191 110549 113607 74196 75061 113158 113708 81834 81901 93075 92923 103033 102076 76525 76622 86614 86797 93780 94815 259734 259927 112457 112373 107718 106377 75843 74504 100906 101786 82272 80017 143374 143931 77885 80133 90892 92347 152758 153571 68886 70401 132399 135987 138866 109361 109923 180790 180831 115973 115157 139459 137423 208.0489 208.0496@2.514 54894 208.0496 208.0502@2.361 3994 7422 208.0502 208.0524@1.386 3611 208.0524 208.0529@1.334 4629 208.0529 208.06@2.242 7145 208.06 208.0757@2.272 6046 208.0757 208.0851@2.04775 21003 22173 8282 8301 208.0851 208.0857@5.5263333 5276 5152 3563 208.0857 208.0881@2.954 3969 208.0881 208.0954@1.7505 56247 42372 208.0954 C9 H20 O S2 4894 5860 4886 5078 6106 5479 4151 4320 4919 4780 4430 4162 4457 4363 4650 5201 4794 4663 4895 4898 4126 4589 4726 4783 5603 5121 5422 5744 51589 48714 8094 7374 13718 12572 4595 5090 4598 4649 6986 8126 4870 5194 4598 5072 4893 4884 5292 4598 4140 4380 4554 4515 5403 4091 4250 5060 4968 4871 4888 4745 5322 6079 7543 5227 5192 4845 5069 4591 4903 5409 4249 9023 9895 4414 4007 4020 5219 5104 5443 5142 5318 4224 4422 208.0962 208.0964@1.7496667 8551 46023 45127 208.0964 C9 H20 O3 S 7896 1928 21272 23172 10266 10337 13210 15388 15626 15162 6250 6393 12739 14561 9318 8289 3465 6483 4677 4035 4856 4859 7052 12508 11434 19068 15957 10767 6407 5634 3330 11776 13466 7907 7149 7398 9182 4841 9769 10181 8895 7294 12877 12716 9597 11161 9447 8716 11090 9010 11208 11561 11387 9242 8900 10667 11095 18769 19411 208.1121 208.1134@1.247 2206 208.1134 208.1181@1.6410002 5111 5540 4392 4789 6868 7041 208.1181 208.1191@1.1775624 10429 3772 4161 5543 5835 2603 2700 11346 2709 2681 7516 7530 11637 1630 3375 2530 6527 1445 15031 9743 7128 7662 5624 7846 6365 10346 10496 2325 1829 3889 12011 11675 208.1191 208.1232@3.8745 2608 3554 208.1232 208.1258@1.1714 3234 38681 31680 4775 3989 5356 4121 5074 3700 6074 208.1258 208.1266@1.2369524 5104 5531 2472 2140 4094 3463 4653 2802 4420 4270 4927 4436 6751 2441 3104 2496 3402 1558 3815 5757 5557 208.1266 208.1305@1.5882 2893 5835 4975 2859 3767 208.1305 208.1334@1.2028215 3284 4141 6063 3987 2676 2231 3691 3116 3559 5817 2465 3755 2932 1630 2802 2673 3399 3490 5067 2897 4460 3679 5096 7935 4898 2766 2309 2718 208.1334 208.1379@1.2061818 2123 1965 3912 2174 4822 3639 2731 1752 3028 4132 6699 208.1379 208.1466@1.20625 4667 1966 117563 5245 208.1466 208.1473@1.203 94670 208.1473 208.1524@1.0964999 6587 6905 208.1524 208.1588@1.0977433 24262 24487 22859 24400 9431 9056 19072 18176 17825 19923 12960 13281 10885 14971 7898 7213 3037 5872 5918 10576 12664 23490 24586 8600 8465 25319 24955 2599 3943 7643 8858 7490 4373 4120 18397 19814 5225 6320 8234 6795 9607 16595 16457 17056 16974 11768 12681 20924 18321 22671 16731 40692 25817 7314 9659 2996 10020 10032 22934 18134 23184 5448 7803 11690 4958 9361 7875 14670 15875 57451 50534 49453 48454 208.1588 208.1632@1.093 7185 7141 6775 2319 16589 208.1632 208.17@2.1496665 5394 3189 3424 208.17 208.1701@1.09 5188 208.1701 208.1755@1.0649 8471 4563 5533 2314 2522 3016 2380 1848 1762 2262 208.1755 208.1807@1.0625714 3234 3181 2506 2467 2467 2612 3342 208.1807 209.0171@2.2625 41173 41814 209.0171 209.0453@5.633 4919 209.0453 209.0457@5.4296002 6151 6080 2244 3408 4306 4733 2728 2745 2418 5394 209.0457 Indoleacrylic acid + 5.4790144 4189 4687 1518 19084 13423 8698 8898 14830 15583 10004 10228 14097 6495 8016 12485 13331 15702 9056 8305 3271 3153 13660 12436 2354 11006 11637 4028 17448 12685 12374 12468 13202 2961 3183 5043 5047 2380 3014 21576 5097 5497 14138 5228 5165 18569 2433 2585 3333 3471 13884 13442 5959 5950 5950 11483 6223 6034 3841 4225 3461 2711 3584 3362 3049 4364 4680 7116 6546 HMDB00734 C00331 209.046 209.0707@3.0932503 8327 8979 15699 11574 209.0707 209.1059@1.5226315 8422 5403 4727 4599 3569 9539 4677 5079 5711 4467 4744 6278 4624 5590 4520 5089 4538 6734 2795 5441 5037 3951 3864 2149 4327 6807 6832 5410 3973 5588 5052 6076 3185 3308 7103 2008 5395 13319 209.1059 PROPOXUR 5715 5741 3439 2738 9359 9624 6338 7411 4674 3829 2739 4325 3281 5806 5388 13715 12371 2899 2617 2103 2185 4552 3645 3747 3602 4051 3527 6817 4410 6027 7878 7316 6699 8053 3562 3851 5235 5698 3881 2977 6261 3819 3285 5875 6963 8881 10739 3454 3650 10722 11663 4301 3603 209.1064 209.1069@1.4026 10418 8093 2604 4623 2914 209.1069 209.1152@1.2806667 3264 4383 1716 209.1152 209.1465@1.218 21145 209.1465 209.1511@1.2272729 3496 2292 3334 2196 3919 2325 2400 1732 3078 2672 3104 209.1511 209.1574@1.2252777 1843 3488 3317 3288 2928 2628 3578 2465 3421 1582 2906 3340 2869 2715 3246 2996 3542 3441 209.1574 209.1635@1.214 2016 3660 209.1635 209.9961@0.795 3682 6655 5264 5178 3549 209.9961 C9 H6 O4 S 12232 12336 11600 12148 14741 14124 10553 10328 13332 12768 15633 15308 10557 10520 12182 19403 8121 8068 14136 16230 10267 11736 7902 9868 13409 13197 13109 12069 15011 15560 16279 11743 15659 14134 13924 12998 11974 14997 7453 8168 14778 9917 20624 9271 11037 11407 14214 20563 10984 16120 13819 11588 16014 14912 12460 10615 15842 13611 12676 12854 14473 14786 14153 14203 13883 12733 24062 17365 7878 9842 15143 15310 16191 124220 16378 8257 8381 8861 9503 9529 8576 9096 12885 9843 6683 8527 15557 14703 209.9969 210.0513@3.5550003 5318 33325 22155 10357 6185 4357 3425 2095 6462 8323 2268 9920 3299 17986 18659 2190 8964 14313 4406 210.0513 210.0515@3.816 4340 210.0515 C14 H10 S 3725 6608 14249 9831 3577 3858 17637 8457 14718 14136 9586 9499 7929 8371 13476 13511 18393 18136 12809 13445 6032 8237 11721 12283 6701 11620 10349 11344 7926 10023 8906 4919 10727 7887 6775 14812 17351 8076 17340 11085 18093 18296 11630 13592 4261 8355 20731 20312 7165 7092 21664 9841 18708 11469 10524 34058 17586 9016 8851 12244 8225 210.0516 210.0786@1.2632333 3081 2848 2642 3862 3393 4050 5133 3639 4214 7636 7608 2472 3700 3521 1777 2315 2432 1894 2053 6839 6863 1852 1789 1820 1955 8801 7243 7770 2555 210.0786 210.0889@1.1385 6402 6337 210.0889 210.0911@1.1235555 24754 24081 8348 7619 2141 2533 2200 22587 22602 210.0911 210.0953@2.155 4175 210.0953 210.0962@4.192 2891 210.0962 210.0989@2.1404116 4166 4061 5776 5994 3026 3373 4620 3177 4665 3521 7389 4981 3418 6578 3678 4312 2166 210.0989 2-tridecene-4,7-diynal 11635 11776 5529 9223 5600 28335 29943 2375 4304 6893 12524 1597 6650 5052 4775 5283 2577 8283 7612 7663 7578 15856 16094 3357 6121 7616 7345 11243 10784 5442 8991 7761 7252 1208 2028 4513 6085 4839 8310 8322 5537 4946 5568 5725 11919 9152 6865 7263 3019 6767 6835 6542 5942 3762 4263 8630 2003 8933 8341 5159 5004 10068 4873 5402 8065 8337 7666 7415 5972 8638 3666 8312 6852 8557 210.101 210.1016@2.9125 7888 8829 210.1016 210.1027@1.1345 2397 2397 210.1027 210.1054@1.137 2078 210.1054 Naphazoline 3758 4379 3195 3465 3869 4107 6474 6139 3026 3258 3240 3122 3628 3521 2695 2908 2882 3008 3172 3056 3360 3660 4618 4477 2721 3116 2798 2609 2837 2092 3901 3781 2868 3089 2260 2812 2690 3746 3501 2728 4133 3943 3865 3982 3702 3570 3603 3798 3966 4122 4137 3775 4001 210.1146 210.1179@1.1344999 2349 2588 1810 2465 210.1179 210.1251@1.454 3972 210.1251 210.1254@1.113625 2314 1726 4216 2381 2855 2020 1722 2077 210.1254 210.1257@1.4146001 9245 11731 2872 6853 5576 210.1257 210.1292@1.1018571 2587 3297 3245 2951 4697 2482 1644 210.1292 210.1304@1.4373078 4913 2513 5997 3795 7114 8506 5183 5680 4308 3984 4002 5102 210.1304 210.1369@1.3452609 5339 5268 5843 3037 4189 2157 4051 2637 3359 2111 2846 3956 6275 6695 5175 5595 4693 4405 2667 3512 3401 10762 210.1369 C11 H18 N2 O2 3679 19829 30801 28470 28776 23114 15288 21764 13839 13840 17282 22904 19989 13646 18536 18510 5711 37563 34422 27670 39348 10201 16873 6522 19380 21287 6002 13783 9838 22725 22396 8558 11061 18367 14534 20498 27818 15200 2989 13576 11810 7232 5211 11100 10736 10341 9423 22965 24779 5508 4828 23583 17021 8030 6563 9149 3284 7500 9230 6821 15605 17639 20464 11223 12352 27635 26584 2535 210.1375 C16 H18 9865 12989 12848 3164 5455 6910 5679 10047 11636 8596 9134 4241 4200 5711 8957 19081 18707 6200 6820 7733 27602 28401 5521 4875 7258 6212 9904 10883 8133 8819 12926 13453 21990 16574 12775 7172 6056 6882 3592 3437 7071 5112 3108 10040 10483 11010 9364 5761 6083 5714 22803 39329 2379 2257 11482 9239 9877 14668 13195 13273 8850 9730 7318 11493 11081 11857 210.1392 210.1429@1.255 8553 4699 5742 6554 3228 11225 210.1429 210.1559@1.111 6176 2111 2804 210.1559 3E,5E-tridecadienoic acid 497803 522847 670875 662183 368765 350852 220317 229538 515001 512367 208194 210187 357383 354466 253969 272091 239694 233936 18852 204511 452395 446678 297309 294676 157095 150308 23750 183006 213369 214479 700913 720693 272297 268413 284648 271131 176263 169938 329215 321107 267439 272991 157077 157657 14102 13926 16869 14975 258532 260050 122659 135914 360118 356703 327696 305257 398617 385887 186930 180732 366948 377597 32979 245770 209471 198485 296183 306568 164874 159318 193251 201514 311674 311642 601410 586147 609234 426700 634788 302451 302539 263578 261137 259060 354059 354671 351163 342521 839601 816494 1310487 1279600 210.1634 210.1638@1.152 24122 7834 210.1638 211.0428@1.1415 3849 5172 211.0428 211.0681@6.487 2053 211.0681 211.0688@4.9694996 3541 3657 211.0688 211.0862@5.801 20290 211.0862 2-Hydroxyiminodibenzyl 8196 6803 10055 19183 11672 10368 7398 5708 9861 7552 6518 7523 7199 5375 4301 6219 6179 5291 5455 10686 9423 6861 7163 8609 8484 5265 4830 7839 7821 12893 12074 11756 9484 10502 4392 4519 7638 7791 8243 10105 13175 10985 7035 6655 4329 4980 9487 10809 10396 11581 4290 7851 4391 6393 5580 5440 6512 6507 3508 5223 3606 5401 6292 10622 8213 5239 5333 9725 9780 10350 8822 5601 12884 6385 5952 8561 9726 211.0986 211.1059@2.0137777 3869 3754 4016 7325 4001 4247 4985 6368 211.1059 211.108@2.0114667 2207 2562 3173 1973 3952 4431 3794 2863 2287 2106 4190 4186 8611 5171 3287 2632 2907 2559 2904 2738 1985 1316 3052 2866 2156 3384 3648 2071 4459 4961 211.108 211.1132@3.737 7529 8359 23902 25404 211.1132 211.1415@1.85125 1989 4493 2938 3913 211.1415 211.142@1.7906153 9490 4677 8295 9452 2058 8688 5780 4037 8996 12130 6724 4822 11446 211.142 211.146@1.2615999 3244 6712 6483 8606 2418 211.146 211.1546@1.3335825 6097 7962 10111 2047 9602 8688 6711 6228 8650 10007 4544 4935 3360 3005 8183 7099 11583 3832 5321 4181 6012 6270 3782 3524 1998 29625 7493 5202 5022 6142 4912 5965 6228 15705 5851 8258 8700 2263 8606 5110 5019 4740 4621 6704 9447 5138 3915 3293 3291 5831 4761 12275 13064 3344 4480 6120 6251 2614 2217 4562 5187 5501 6818 2411 2694 2336 7906 2925 4261 3796 3470 3102 5921 5433 4113 3775 30155 30219 211.1546 211.1566@1.2550001 18591 17562 13122 15238 10876 12879 13088 6728 6039 14546 7198 7472 27203 11213 17923 11339 7978 7787 6648 12535 7890 7324 5556 7184 6308 4750 10147 13661 6183 10440 7967 5464 9416 6664 13007 7563 11295 10164 12344 7882 6100 211.1566 211.1609@1.198111 14356 13219 7131 11103 10757 11634 9127 16850 15926 211.1609 211.1776@1.1115 2127 2140 211.1776 211.1936@1.1076667 4289 4025 5016 3957 21272 21198 211.1936 211.9761@0.724 2485 211.9761 212.0721@2.5549998 5870 6570 212.0721 212.0857@4.7885 4363 4092 212.0857 212.0888@1.4273334 4822 4498 6519 4476 8696 8994 212.0888 212.0916@1.752 59596 212.0916 HARMINE 16152 9628 15450 9414 9914 9110 29236 29760 17850 24576 20549 6581 20086 3554 17189 5984 8881 33695 11036 3730 7657 2125 4329 4689 12357 16947 9387 12779 4454 25556 9966 11965 9414 9728 7328 21406 17770 17225 17736 15001 212.0932 212.0934@1.6879395 22358 9340 9801 16167 13484 7755 8416 11560 6076 27163 42113 15499 9972 9079 14994 13826 11285 5684 7969 12391 19887 9640 65726 28476 8981 5169 6311 14977 13492 11266 44205 104435 212.0934 212.0939@1.7788572 3740 2570 7708 2888 16434 6406 212.0939 212.0946@1.8049412 1970 4266 7851 8238 6419 7308 5385 10161 6640 3444 7099 7487 2231 7963 3354 3641 212.0946 212.1065@4.1013336 5718 6280 3309 212.1065 212.1167@2.1527693 5130 8074 16557 18937 6764 6710 5705 4427 7675 5583 7803 7405 3688 4937 19704 20919 4078 9703 8825 5466 3681 5184 1688 5695 4795 2570 212.1167 212.1178@1.232 20994 16649 212.1178 212.1331@1.13375 2679 2686 2876 2860 212.1331 212.1384@1.1105 3363 5367 2389 8583 3587 2474 3471 2818 5258 3231 6775 5557 212.1384 212.1416@1.362 11790 212.1416 C12 H20 O3 2754 7496 3983 1887 3512 2994 4108 9046 4265 4232 4724 5807 4813 42503 51288 7147 3087 12761 11426 1928 7574 6830 3482 4212 7956 3896 3522 8087 3243 9659 2486 2732 212.1446 212.1471@1.2087778 19900 22935 4752 19321 6053 3047 11139 3644 2791 212.1471 212.1489@1.20765 18465 3693 7824 7742 5658 5433 10725 10662 8389 3350 3559 4398 4040 10665 7577 20380 7589 3393 3826 4074 212.1489 213.0104@0.78715795 5325 5728 3580 8705 8329 9113 9321 6645 6627 6944 6616 6059 4146 3638 3485 3935 5434 5300 3584 4347 5078 5277 8340 7221 4432 4679 5549 4895 4410 5643 6602 5756 5483 6579 6850 7107 6782 213.0104 213.0424@1.4685 2018 1866 213.0424 213.0452@1.178 3491 3244 213.0452 213.047@1.7122499 10180 10855 9581 9002 6392 6693 19359 13479 19338 20406 46027 32542 213.047 213.0473@1.9136666 4823 15601 7280 213.0473 213.0478@0.90549994 2830 3149 2503 2726 213.0478 213.051@1.939 3199 213.051 213.0723@1.6382728 2755 3400 3736 4067 2733 3502 2652 3087 4619 2945 213.0723 213.0805@1.663 1758 213.0805 213.0818@1.3675333 7781 8386 10035 12026 9208 8632 4154 4052 7809 8080 13253 14852 11013 9312 1771 213.0818 213.0829@2.180258 231105 237533 60081 61108 8825 12180 70004 71956 313915 305713 87765 87093 8906 6339 42504 43384 136802 142955 175666 185268 88438 88074 12509 33857 5270 267811 266629 259028 59609 57597 213.0829 213.083@1.2609999 3249 2909 4677 4572 2026 213.083 213.0841@2.162 3653 2640 23047 213.0841 213.0872@1.644 2432 213.0872 213.1015@0.918 3958 213.1015 213.1115@2.1 1568 213.1115 213.1134@2.152 7937 6669 213.1134 213.1352@4.4900002 4188 4451 4723 2912 6116 213.1352 213.1478@5.3493333 2423 2197 2524 213.1478 213.1483@2.8795 6185 10313 17951 22623 213.1483 213.1513@1.142 4147 213.1513 213.1637@1.146 4390 213.1637 213.1718@1.748 10924 213.1718 213.1723@1.7056875 9652 6656 5263 6092 5747 6699 3327 10818 7690 5193 4154 4484 4671 4621 17936 8000 213.1723 C12 H23 N O2 31336 31277 23058 43314 55454 11000 12803 12928 14786 14029 13622 16122 13878 14171 16719 15186 21195 16946 18749 22684 14722 14041 12780 11758 10964 10879 20297 12268 13049 25278 15246 19504 19870 17299 11584 12513 30191 19085 15908 14563 22009 25157 25535 25488 213.1734 213.246@3.948 7389 7603 213.246 214.0642@1.6405294 4225 17241 5352 5653 5743 5430 4813 5279 5472 4224 8927 2737 4268 3306 2914 3972 3911 214.0642 214.0643@0.753 9241 6216 10492 10951 214.0643 214.0693@0.797 2836 214.0693 214.0776@0.799 2709 214.0776 214.0874@2.272 5641 214.0874 214.0962@2.6485 8142 7285 214.0962 214.1156@7.8120003 3588 3691 214.1156 214.1197@1.2406 3080 7861 3562 3730 5463 6758 4305 4577 7174 7645 4627 5772 3268 3916 4109 5192 5991 8743 5324 4545 5511 6208 5443 6231 214.1197 214.1314@1.2293333 6571 10142 11033 214.1314 214.1321@2.857857 6009 5296 4749 8817 8114 11080 11971 30253 30330 13332 13206 17137 16975 8539 8041 4922 4815 5361 5364 5637 8006 7911 7029 7725 5882 7977 5423 5769 214.1321 214.1322@7.4856668 6371 5930 2735 214.1322 214.1337@4.2945004 27084 26637 214.1337 214.1389@1.1980001 10819 2594 11077 214.1389 214.1425@1.18675 5853 7342 7122 4154 1433 10312 4491 17748 214.1425 214.1498@1.195 2227 214.1498 214.1517@1.146 4235 3282 2716 214.1517 3R-hydroxy-5Z-dodecenoic acid 4006 4463 9029 8617 8352 4577 5264 8732 7997 7674 7843 8783 9570 2873 7181 7058 3985 7219 5722 6525 9748 6797 5293 5167 9016 8410 9189 8882 9183 10174 3710 8307 7046 4241 5101 8085 4583 8792 16055 3535 2577 15408 13473 7429 6477 11818 4814 7472 4854 5379 5224 23409 11540 7963 8457 5003 4581 8850 5926 6537 6201 4959 5086 9669 10495 6795 7296 4264 4189 9449 7793 12777 5946 11820 6508 6813 4526 6024 6344 7596 10013 3178 13840 7229 4170 5680 5179 214.1575 214.1618@1.1989375 1585 2165 4067 2401 3689 1938 6907 2647 2562 2344 3912 2563 3750 2936 1798 2399 214.1618 214.1636@1.1968334 3036 2022 1539 1653 2215 214.1636 214.1684@1.7966666 5998 6710 9213 14337 6084 8904 214.1684 214.169@1.7785 3794 10845 214.169 214.2405@1.2385 3365 3570 214.2405 C7 H5 N O3 S2 4825 4725 10421 7970 27509 26578 28038 27686 44692 40871 17968 17399 185397 190933 20740 21053 2986 38894 39714 42761 42524 18490 17331 37136 38793 33246 35047 48407 42369 51545 47124 23426 21977 4997 7951 4476 4966 6316 7947 12891 12184 22679 21615 13419 16229 42539 41085 12661 11582 17486 18160 15317 17524 19515 24589 34870 33887 9746 9161 36492 36981 4087 3694 10020 6593 29197 28410 41018 39381 21873 7107 23482 26715 26106 9401 6965 7530 17580 21370 16326 19802 12507 12772 5812 6023 214.9717 215.0637@5.6232224 9432 10935 10109 9332 9601 9626 10158 8767 2787 215.0637 215.0663@2.296 7187 215.0663 215.0666@2.2733333 5721 11610 10186 10358 10709 215.0666 215.0741@2.277 4808 215.0741 215.0785@2.2505 7293 215.0785 215.0959@1.114 5256 4454 215.0959 215.1166@3.188 5812 5748 215.1166 215.123@1.2665 4315 2619 215.123 215.1259@2.1575 2059 2137 215.1259 215.1264@1.6215 4608 4465 215.1264 215.131@2.1585715 7990 8155 4467 4140 8208 9213 20704 20227 8257 8823 9188 9581 10078 10172 215.131 215.1316@1.6205333 10467 10661 6611 23490 21219 29468 27503 15761 13909 15650 15910 20981 20334 4813 3285 215.1316 215.1351@1.0466667 3923 4847 3349 215.1351 215.136@1.622 13055 215.136 215.1492@1.642 5387 3987 215.1492 215.1513@1.3694999 7375 6799 215.1513 215.1542@1.1137999 11078 3990 4025 4388 215.1542 215.1584@1.097 32531 215.1584 215.1585@1.4005 2322 2742 215.1585 215.1776@1.356 1383 9038 6764 215.1776 215.1835@1.281 19963 2339 215.1835 12-amino-dodecanoic acid 18243 17837 38127 40994 32663 30976 20664 27853 28733 14851 20453 23605 17560 19945 20324 13168 12624 11410 11550 37180 40927 34118 32550 12785 11151 9396 9908 21527 22508 59515 54222 18091 36518 65817 66246 42225 43269 28310 26690 32367 33064 13581 13409 9013 8454 20364 19144 36522 34630 15038 15721 26765 25924 37276 36929 22865 22266 10159 9565 32348 29421 40466 36408 39336 41314 44818 44954 20304 32297 11017 11631 32286 30468 28028 28476 34816 54757 25759 15514 15509 46074 48359 20520 47851 107894 101345 91435 92559 215.1884 215.1896@4.1475 4799 4917 215.1896 216.0087@0.72749996 3427 3353 216.0087 216.0102@1.839 133710 125686 216.0102 216.0801@0.811 60932 59399 104639 108655 12474 216.0801 216.0844@0.813 14371 216.0844 216.0879@1.982 1624 216.0879 C14 H16 S + 1.9603751 4899 3880 5198 3509 3338 5216 3348 2785 5872 3953 4912 5945 5439 3605 6000 5195 5206 3638 2871 3333 3724 4063 3006 3597 4558 4640 3995 6059 5793 3695 3737 5416 4234 5366 4104 5189 4061 5565 5185 5374 3544 5412 3827 3540 3570 3867 3903 3947 4314 3831 4924 3055 2011 4304 4763 2636 2578 3675 4139 5489 4715 6500 3566 4609 4244 4398 3458 43784 3968 3056 2940 3404 2699 7445 2743 2314 3648 3077 2502 216.0965 216.0982@0.78400004 4333 3097 216.0982 C14 H16 S + 5.655296 8115 6193 3928 3881 6000 5686 3154 6846 5997 6293 4442 5527 7654 6813 5512 3154 1886 6831 6142 8753 3071 6244 5762 7257 6379 6371 6280 4805 2421 5283 5908 5525 4487 5838 2680 2404 6026 5313 7197 6666 5887 5526 5619 7520 6106 2364 5127 4877 4736 6297 6531 4759 2934 5832 216.0985 216.0985@0.8450001 5563 5103 5329 4415 7512 4589 3975 4835 4121 5830 4371 5598 4852 3689 4057 3473 5077 3972 4262 3899 4569 7639 216.0985 C14 H16 S 14466 12421 2518 4903 11678 13603 4502 11830 4512 5577 4344 13109 11921 11774 10494 1843 7698 9629 4647 3824 12306 12099 12028 12115 13844 3542 5990 12908 13034 11700 10341 12056 5717 5053 9440 5247 8606 8678 9650 2031 6707 8522 11687 10868 13200 8209 11120 10912 11165 9545 3590 11244 4448 9904 8836 8331 8364 2403 3617 9264 216.0986 216.0986@1.7729999 9242 9235 7227 10045 5091 7320 14766 8703 6547 216.0986 C14 H16 S + 5.352501 9308 4262 6490 5496 3859 3401 3741 1927 3078 5543 1862 1970 3458 2951 3380 4459 3120 2089 2475 3583 1663 2881 4214 6170 2896 3098 2278 2483 5586 3481 1754 5049 7189 4212 3225 3643 5013 4197 4893 1588 2596 3455 4434 7515 3470 2218 216.0986 216.0986@0.671 3590 2493 2558 216.0986 216.0988@5.369846 4929 2760 4847 3421 6769 2706 3232 4698 2719 1890 1650 2854 1912 216.0988 216.0989@2.757 7768 216.0989 216.0989@3.9152 4827 3455 2452 3956 3217 216.0989 216.0989@5.844 3988 216.0989 216.099@4.3033333 6924 3117 2389 216.099 216.099@4.9559517 5628 4888 3906 4806 6770 2002 1946 5318 5738 5113 3279 6770 5104 6052 9059 6069 3846 7077 4997 4357 2803 216.099 216.0991@1.8226666 3267 4022 2398 216.0991 216.0994@0.943 2868 216.0994 216.0999@6.546 1804 216.0999 216.1004@1.3395 14850 16603 4682 5610 216.1004 C11 H12 N4 O 3104 4474 2720 3593 2532 3319 3100 4160 2908 39612 38254 3142 4474 5590 4594 14790 15458 30198 31426 4541 4274 8211 9684 2909 4226 3468 2407 7890 7409 9984 8530 2763 2254 24387 25087 4812 12888 9014 4958 4442 2424 2134 3528 6126 6687 5967 4654 11333 2552 5167 7595 4297 3772 2990 216.101 216.1026@1.1708 2542 11917 13262 3272 3219 2746 1519 3446 3049 1615 216.1026 216.1231@1.625 3078 216.1231 216.1312@1.0445 9590 9278 216.1312 216.1385@1.0456667 4210 4397 3258 3508 5440 5192 216.1385 216.1405@7.9097137 2573 3531 3831 2761 3383 3219 1763 216.1405 216.1451@7.912 2820 3220 216.1451 216.1585@1.2033888 16018 23391 14927 5213 13018 7281 7055 19196 3326 3286 1093 19315 19149 19730 20565 8142 12724 11088 10793 5822 14609 27394 22832 29780 28980 17413 18132 23081 23759 15358 10082 16884 15451 6422 5485 216.1585 216.1591@1.048 3581 216.1591 216.1616@1.2043461 5094 4904 14041 5007 4281 3167 2793 9524 12576 2523 5310 5110 5352 5248 17268 4131 3579 3820 4335 13398 14878 7990 6743 4996 5680 5609 216.1616 216.1722@1.185 3234 4810 5750 4259 6219 5233 14326 5311 216.1722 216.1734@1.2058333 8349 8440 3979 3777 4004 5987 216.1734 216.1771@1.2099999 6110 7786 7239 3644 3586 3235 5816 216.1771 216.1891@1.24 1292 216.1891 217.0368@2.103 2739 217.0368 217.0394@2.774 5172 217.0394 217.0402@2.8912501 5736 5908 6373 6267 217.0402 217.0761@1.155 3201 217.0761 217.1089@1.79 6141 217.1089 217.1109@1.5467693 5282 6621 2576 3691 3056 5373 5692 5298 5214 4313 5227 3864 3388 217.1109 217.1203@1.142 3035 217.1203 217.1311@1.174 4466 217.1311 C11 H15 N5 265110 268158 238348 235762 373571 367285 347823 358336 239163 240146 178974 180572 301619 300504 135368 136698 215901 212790 167482 169917 331428 332400 154526 151619 302341 309633 641391 630204 187246 186972 252882 251085 132403 133529 285794 280125 201938 202373 266182 267545 240601 248796 257111 260555 202841 204235 142140 144158 316665 314145 254672 256797 287092 292737 251157 248242 279492 277856 334097 340268 127092 125871 215758 216609 303589 305564 180729 185936 200999 193798 246085 253123 204600 204680 169886 167853 342032 346355 163452 164507 214316 205835 209718 525288 522972 275415 273775 163120 161574 260114 258357 217.133 217.1332@6.1514997 6803 5233 217.1332 217.1399@1.122 4162 2720 217.1399 217.1426@6.5545 2390 2810 217.1426 217.1431@1.169 1792 217.1431 217.1478@1.0439546 69649 75451 7113 8102 6016 5269 54008 56059 110792 115046 27662 24031 518339 38654 3995 3527 87997 86516 16561 13348 8157 7982 217.1478 217.1685@4.4737144 3358 3310 5788 5795 2555 2560 5958 6393 5982 6404 2167 3499 3325 3061 2974 2701 2864 9226 9198 2263 3396 217.1685 217.2562@6.923906 4114 3410 3830 3210 6715 7197 5825 6732 3537 3689 2255 2174 5565 5096 2926 3194 2030 1807 5768 6053 2145 4986 5411 2521 4023 3711 4688 4064 2633 4288 3895 3262 4020 3785 3866 2999 2842 5435 5319 3149 4598 4810 4794 3740 2517 4041 5227 6138 5456 3195 4710 4835 2472 2135 2797 2126 3803 3683 3028 3109 2509 6541 6340 2079 3182 2519 3262 12726 12348 4794 3676 2317 4220 4233 217.2562 218.0205@3.282 10201 218.0205 218.0205@3.474 10179 218.0205 218.0207@3.373 17545 218.0207 218.0922@1.1789999 9361 10297 218.0922 218.097@1.18425 3909 3616 14031 8041 218.097 218.0977@1.225 11146 218.0977 218.1069@1.211 306971 319098 218.1069 218.1167@3.681 3316 3422 218.1167 218.1208@1.1903334 10140 3044 4156 218.1208 218.1312@1.1643333 3950 5525 6065 218.1312 218.1694@2.8515 6729 6181 5359 4453 4964 5207 5620 6768 5385 4295 218.1694 218.1741@1.1235001 5093 20970 218.1741 218.1788@1.1255 5122 5362 218.1788 218.1814@1.1726667 2605 8502 6377 218.1814 218.1889@1.0756819 3628 3443 14623 14495 96386 2701 1399 4176 1665 5343 1606 2673 1929 3265 2089 4026 3981 3256 4247 4911 5133 2824 218.1889 C12 H26 O3 88427 94335 67925 68902 46038 50009 46265 47036 45460 47194 120693 80364 37603 83893 2101 98036 45494 48491 92029 97175 46874 48667 67426 70601 40128 43029 81390 32029 60709 146120 46395 46196 44776 46680 57260 55151 38120 37355 53522 50119 83080 84716 72168 76520 28433 29996 52026 53060 71936 72081 64769 64291 70771 69094 55969 53477 41265 43707 91199 92436 69723 65718 47670 51956 49322 52502 54315 54488 36294 128806 76872 81392 66941 67617 76583 73341 170752 48957 176220 41526 40865 47110 42804 45618 70686 70094 103889 106620 56145 61472 64334 65045 218.189 218.2302@1.211 3766 218.2302 219.057@5.831 3240 3593 219.057 219.0615@1.4035 5358 5697 219.0615 219.0671@4.70475 8359 8177 5481 5655 219.0671 219.1047@1.2245 3866 4018 219.1047 219.1086@2.554 8031 12846 219.1086 219.1118@3.459 7716 219.1118 Pantothenic Acid 58063 62570 82734 84942 192502 191513 77210 80955 98132 96913 62131 63484 50673 42257 50212 47890 64765 62280 234348 230340 34235 32715 40408 37330 205398 205928 107167 107580 158478 155238 160759 163963 66053 66340 47960 48315 130266 125769 181698 180858 77411 79499 64045 66629 114782 112206 90115 89019 47736 45927 77884 79749 78546 80322 173221 163672 66664 65235 70454 66357 230140 232189 164790 164712 51685 54498 162335 162409 34245 31565 89276 93151 48852 49593 83458 84362 139387 137158 54121 53988 107077 115136 106901 279232 269904 73338 72629 206805 202900 44125 53626 219.1119 219.1131@5.084778 3076 2853 2678 1746 2269 2460 2579 2699 2464 219.1131 219.1138@5.180143 2325 3184 4098 4133 2203 2384 2337 219.1138 219.1637@4.389667 2967 3505 2196 219.1637 219.1639@1.074 3077 2032 219.1639 219.1645@1.090125 8821 10778 21367 20291 2212 5678 7530 4638 219.1645 219.1762@1.0996667 8372 6890 10468 219.1762 219.1804@1.104 6919 219.1804 219.1885@1.202 2112 219.1885 220.0376@3.7285 5369 3225 220.0376 220.0579@2.9431667 7991 9501 8785 19619 14652 3805 220.0579 220.0588@2.342 3511 220.0588 220.0588@2.9683332 16133 8823 10799 12395 11564 7374 220.0588 220.0678@1.1393572 2624 2031 47028 47617 4960 5079 7752 9886 2348 3352 17619 17712 9782 9098 220.0678 220.0737@1.2482 3811 3000 3545 17457 16696 5423 11976 1954 2064 6952 220.0737 220.0741@1.2817917 2100 4569 8328 4419 4153 3331 4824 10911 4833 4286 4069 4199 4137 4924 2418 3997 2300 1929 4911 5498 3572 3347 6818 220.0741 220.0767@1.5475 5905 6443 3014 3367 220.0767 220.0786@1.285 2416 220.0786 220.0859@1.4865 7271 5611 220.0859 220.0965@1.47 7580 220.0965 220.0972@4.21125 3085 3159 4613 5769 6978 7165 2973 2970 220.0972 220.0982@2.775 7522 8293 220.0982 220.1136@2.452 1892 220.1136 220.1149@2.495 5298 220.1149 220.1207@1.1763333 4750 5000 5089 220.1207 220.1224@6.42 3605 3550 220.1224 220.1243@1.177 4313 220.1243 220.1271@1.1756364 4179 2423 4894 4999 3033 6325 3567 4640 7414 2695 5519 220.1271 220.1313@3.514 13802 13564 220.1313 220.1317@3.12 17463 17374 220.1317 220.1322@3.8395 7510 5075 220.1322 220.1368@1.1559999 4403 4984 3073 5285 4939 4477 220.1368 220.139@1.1478096 6287 4453 5259 6020 5043 9335 4738 6686 4095 3408 6217 6992 2609 5320 6517 3120 5570 5453 7882 5973 220.139 220.1463@1.216 3771 220.1463 C14 H20 O2 12637 13118 5498 8380 21143 13495 11571 11814 9335 6439 5405 5771 20516 18223 6520 4777 15904 11346 16224 12329 15621 15188 8703 9202 31621 28692 8668 7745 10385 11555 21824 6239 6043 4378 11223 5887 6155 8936 8654 16639 15173 5956 19823 14173 11276 22565 22151 10311 10790 11557 12398 12621 14872 15442 15108 16852 10864 9443 14615 17255 19486 20510 17208 15291 22868 19561 20204 20942 17907 19734 17563 17704 17755 5292 14127 10012 12454 14557 11544 14504 20178 18019 13823 8466 220.1474 220.1512@1.0806364 5806 4345 12006 10663 11318 21183 8065 5688 5725 13969 9274 220.1512 220.1538@1.0995 9263 7549 7647 7600 220.1538 221.0373@0.7245 3065 2351 221.0373 221.0485@2.6785 43209 60126 221.0485 221.0486@2.765 13463 221.0486 221.0911@3.184 14711 221.0911 221.1077@2.3995 7005 6960 221.1077 221.1094@1.6352501 4689 5327 4079 6539 221.1094 221.1278@1.21 3097 2826 221.1278 221.1419@1.2078333 2904 2447 5433 3572 2252 1734 5193 2702 3837 3406 4192 5192 221.1419 221.1672@7.7454996 34599 35328 221.1672 222.0206@2.5503333 6360 7671 3707 5031 21021 20349 14097 12943 7319 12491 12586 3516 222.0206 222.0219@2.633 2741 222.0219 222.022@2.6914444 2431 2074 4148 2323 2767 2251 1750 1894 2217 2417 1470 1743 1757 2007 1931 1880 4473 1560 222.022 222.0689@0.761 4132 222.0689 222.0847@2.025 6418 222.0847 222.0869@3.6230001 5385 29056 222.0869 222.0906@1.312 2140 222.0906 VALERYL SALYCILATE 162817 161604 12851 26880 23923 24222 23076 116682 113334 4954 10895 11163 9400 16775 18026 106801 107781 22040 31258 31708 268802 271883 7999 172051 171469 114163 115854 55849 55228 96393 96773 15632 16204 13216 13382 15550 16111 119436 120091 92585 90353 221508 223315 19141 19083 85461 86900 11257 15985 16687 58238 38490 59049 34589 35716 44959 45834 43174 70649 71208 27327 27551 39120 38416 222.0908 222.0908@1.2598888 39533 42760 2838 32396 31601 34043 32442 65131 60701 51327 49471 27928 25868 25612 25838 27167 17624 16174 58049 64109 24953 24644 18300 8953 7260 16136 15056 222.0908 C10 H14 N4 S 12598 7486 9391 10825 9391 5248 5625 3294 5843 5518 7128 2231 5125 10714 11908 4956 3788 4719 3310 6637 6421 6013 4690 2941 4187 21032 2132 2492 2916 7263 5988 5597 8428 12921 12327 5178 3567 5307 2888 3447 27277 4411 1671 7890 8231 10557 3932 2259 14845 10598 3594 13120 9773 10655 7807 6052 3686 3426 9634 10177 222.0917 222.0977@1.2045 3394 7249 222.0977 222.0987@2.8674285 15579 14454 7001 2529 7502 6937 9764 9823 6243 8984 4935 4599 7667 7801 222.0987 222.1007@2.889 4342 222.1007 222.1043@2.0333333 3177 6822 7412 222.1043 222.1044@1.2256666 2289 5226 2442 3744 3006 2415 222.1044 222.1083@2.0292 6125 9152 5862 18593 8156 222.1083 222.1556@1.1761667 3414 2485 3928 2684 1983 2144 222.1556 222.1611@1.1076207 12389 7519 14438 13225 6228 14665 19441 10270 7517 7677 6874 17428 18476 26086 25963 22736 8787 10635 10776 9069 39967 33365 33240 46496 45697 27283 26515 14800 17500 222.1611 KOBUSONE 62236 77828 21903 22032 71055 58854 31806 30899 39164 32113 43758 44459 57167 56046 66621 58897 54026 54828 52139 53872 27301 26700 393762 64375 43550 76314 40375 33139 50672 51246 22172 20943 25214 31351 47229 38259 21342 21661 45124 44841 58963 40971 61551 59265 30039 30449 31122 31206 31984 36836 54259 54671 39941 42666 35378 34816 46193 46682 45453 92110 49406 47205 60449 60787 60057 62561 74714 37444 39857 45882 45096 43618 44369 42813 33804 47120 46954 20319 20191 222.1628 222.2153@1.153 3655 4195 222.2153 222.9928@4.210091 8739 9539 9640 4022 9333 6999 4538 7296 4999 7145 6731 222.9928 222.9934@3.813 5036 222.9934 223.0229@3.0248334 3256 3785 5637 4812 5302 5339 7762 4844 7496 3351 8412 7904 223.0229 223.0263@2.969 2431 223.0263 223.0333@3.055 2905 223.0333 223.0451@2.993 3973 4776 6539 223.0451 223.0455@2.982 8026 223.0455 223.0618@1.903 7602 223.0618 223.0631@1.8541666 11717 6529 6774 3775 5043 5083 223.0631 223.085@1.1125 43944 39437 223.085 223.0917@6.685 8460 6859 223.0917 223.0918@5.2295 4105 3589 223.0918 223.092@5.2915 15740 15656 223.092 223.1067@3.618 4467 223.1067 223.1082@1.268 5384 223.1082 223.1185@1.286 6705 4469 223.1185 Rimiterol 13745 13617 35234 31502 6101 4177 7618 7593 7945 8699 13381 13925 9798 10980 4283 6348 7141 8109 8141 10331 10854 5172 2211 10523 8317 4981 15861 14492 4135 7027 3259 8090 10045 10856 9578 8851 8246 8123 18235 17033 13589 13227 5503 5485 8260 6128 6218 6655 9506 9114 9480 13954 13436 10894 20382 20518 21685 20695 8045 38566 45437 7059 10472 22782 18769 223.1208 223.1211@2.3348572 3632 3701 3574 3096 4277 8987 10222 223.1211 223.1221@5.863143 9406 8153 2437 20222 19622 7993 8300 223.1221 223.1516@1.204 15906 223.1516 223.1587@1.1290001 26874 7282 3511 223.1587 223.1699@1.2011667 2042 2192 3050 1889 1971 1511 1838 2357 2123 1365 2112 223.1699 223.1737@1.2025 5164 3025 3112 2365 3448 2435 2427 2406 2743 3552 4699 2746 2802 2717 223.1737 223.1847@1.2 4478 223.1847 223.1893@1.2034 6357 6312 4495 4597 5894 223.1893 223.9994@0.96309084 4518 4481 3362 3049 17551 16759 4740 4544 9049 8543 4450 5128 4919 4411 8789 8930 5189 5550 2996 5330 5233 2424 223.9994 224.0175@1.5109999 7664 7435 224.0175 C9 H14 Cl2 S 5240 4080 5327 5997 7271 6562 5177 5191 4512 4481 2252 4465 6109 6901 2681 4423 4074 6677 5806 5282 5643 6149 6181 3692 6167 5771 5992 5522 5791 6157 2805 4438 3007 3413 3880 5663 5296 4450 4325 224.0187 224.0252@1.51 4056 3311 224.0252 224.0268@2.0229998 3340 3346 2456 3946 224.0268 224.0384@1.2230834 1422 3104 3021 1538 2323 2306 2437 2779 2042 2161 4111 4211 224.0384 224.0434@2.0175 1459 4038 224.0434 224.049@2.063 1717 224.049 224.0539@2.1006668 3839 6186 5594 224.0539 224.0628@1.2215 4004 3536 224.0628 224.0936@1.3383332 29983 27420 6091 224.0936 224.097@1.38 5861 7825 224.097 224.103@2.0496154 4904 4702 6399 5189 5028 3196 6081 5323 2634 7092 7945 6129 3992 224.103 224.1032@3.9832857 1209 2996 3180 1918 1866 3190 2810 224.1032 224.1042@2.0563333 5322 6133 3096 224.1042 224.1047@1.3335856 3679 5174 9544 9457 7153 11647 6933 6869 7328 5883 5991 6416 6954 1452 7387 6625 3969 8008 6616 7094 8274 6685 3845 5502 7551 9592 4950 6643 4261 5142 5065 2734 4119 6521 3802 4101 5759 10168 6054 4996 4941 224.1047 224.1066@1.33 7357 224.1066 224.1076@2.964 6604 4571 224.1076 224.1405@1.207 3511 224.1405 224.1427@1.1754999 3385 3936 224.1427 224.1504@1.20875 7161 3506 6247 3196 224.1504 224.1578@1.165 7268 224.1578 224.1602@1.1723334 12027 5956 8238 224.1602 224.1683@1.13925 2581 3825 5705 2530 224.1683 224.177@1.105 8288 224.177 224.1778@1.1500952 4650 7824 5962 8800 4939 11068 12098 2088 5115 4567 3878 8732 3724 5165 7751 8998 12895 5421 5450 3228 18351 224.1778 5Z,8Z-tetradecadienoic acid 179140 15436 159757 9394 409471 39430 18539 19424 33287 32547 41843 35830 385894 26351 8046 8729 33590 35789 18694 19370 21564 28395 154743 161582 37036 36500 31569 269231 28509 37564 29525 30361 110594 18665 26362 266857 138660 139901 16902 20194 257121 287432 166514 8307 35223 279028 29063 27631 32013 240484 16807 19294 16124 146764 13158 14703 305513 290498 30474 29037 20915 23542 191679 27355 27658 351978 196879 204859 43135 343488 302951 31542 20265 21118 20433 13307 47788 29179 39095 28704 28776 20523 204124 18274 24263 23702 15262 16801 18367 24142 17387 17168 224.1784 224.1838@1.1585001 3142 1876 9850 8128 9221 9437 3521 2403 14583 13125 3284 3913 224.1838 224.1903@1.1437502 6765 6158 10104 6276 47086 44336 156318 149075 12305 13351 25626 28450 228183 227717 16918 16488 224.1903 225.0166@5.6019998 16124 20724 21513 225.0166 225.0552@1.985 3489 225.0552 225.061@1.976421 2135 2643 2461 2054 1920 2635 2405 1937 2037 3744 4290 2520 2318 1771 2848 2549 2647 2726 2402 225.061 225.0688@1.9775 2596 2451 225.0688 225.076@3.413 2898 225.076 ANCITABINE 26085 27028 6928 10512 17567 21672 18733 16673 13563 14055 8190 8789 25979 26826 12354 15154 23119 21576 9052 8607 8172 7525 10103 11554 12858 8938 14232 13235 5326 6058 18517 19960 8114 9358 9500 11405 8033 7420 17441 16040 12917 16023 9004 6786 103802 108912 35403 42423 9000 12407 14323 13991 10621 8444 6590 6953 5805 7010 171230 171820 10621 11245 16188 16390 9253 9520 10964 11558 11989 12341 13168 13746 6889 6653 8036 8322 28659 29282 7460 9756 41389 22267 34782 11685 11794 7263 7483 11162 9318 12629 8067 225.0766 225.0977@1.187 1554 225.0977 L-4-Hydroxy-3-methoxy-a-methylphenylalanine 5613 6958 7059 7015 3970 9322 10361 9184 5585 7719 3120 5258 5561 2774 5795 8138 6534 7497 7708 8506 8334 8837 7706 5108 6582 6034 10588 6421 2604 5469 4581 5460 9184 8200 5189 8070 8039 6023 6337 7288 7981 7703 5163 5770 8748 8895 2617 225.1004 225.1013@2.063 4966 4271 225.1013 225.103@2.0531251 5645 4913 2298 7941 3498 2382 8373 5838 4223 13604 13720 6085 12312 8651 3382 3573 3290 7454 6602 4181 6264 9154 2937 3798 225.103 225.108@2.819 3880 225.108 225.1187@1.755 2779 225.1187 225.1212@1.7598004 5855 4779 8946 11366 5935 5554 5094 6711 8143 5404 3330 7760 7809 4444 7127 4998 8447 8301 4014 3851 5122 6103 5236 4959 225.1212 225.1221@1.8093846 8491 9635 7067 10024 3432 18497 16180 4741 4980 7949 3919 5066 5924 225.1221 225.155@1.316 4090 3795 225.155 225.168@1.255 1952 225.168 225.1724@1.3181945 16777 17537 11875 8050 2704 4175 4192 4928 5313 3744 4488 2512 3811 4559 6432 3392 5099 3818 7383 5310 3391 2981 7139 5320 3050 3089 5272 14782 15516 3983 5335 4241 4771 8664 7279 26632 225.1724 225.1728@1.205889 4417 2054 2230 2942 2954 23448 23812 67180 3494 225.1728 225.1731@3.9819999 2939 5767 5726 3176 3412 6200 6599 225.1731 C13 H23 N O2 + 1.2053771 111255 108845 80840 80350 32916 30859 54212 29153 50110 54069 30328 24212 31099 28244 16069 16639 22105 16114 24059 23531 34838 34276 25450 25699 13374 13921 18130 23443 41565 40071 39561 40927 40261 36771 42328 42419 43065 40304 54297 55405 25677 25651 28438 16541 28335 22351 15245 14922 32332 33256 20973 23573 18375 26906 25409 28945 25440 19582 24505 31006 35302 33527 44292 40714 34320 31343 39692 43759 40610 32564 27172 27945 28080 28229 91345 41887 49340 21564 49885 19664 13796 19788 14207 17650 29843 22772 38983 35150 51690 50753 25589 118120 225.1741 C13 H23 N O2 92620 92041 94756 93568 46572 44912 81432 80839 68898 70742 43110 45805 29249 30397 21683 21228 30446 30017 23938 22068 12479 10470 20377 20667 21382 25939 12178 24540 25424 23940 25625 49267 48950 95629 94947 39443 41256 103420 102623 15682 16935 22562 22056 36038 33394 27785 26638 20668 20677 70672 69020 18867 14774 28562 28671 33147 34365 68592 72280 77552 75123 53211 52304 77545 76521 71307 72321 85273 80758 27503 29770 17436 18229 40051 95635 61952 99280 21515 21633 24224 34081 35187 72348 209203 204074 220721 223544 225.1742 225.1836@1.054 1313 225.1836 C4 H3 Cl N2 O5 S 319096 325600 346305 346133 347362 348140 364367 366764 356283 351829 327408 329006 344585 347406 340532 341878 342034 345483 347115 350503 336854 336299 352265 356372 369671 370694 372416 366222 380514 382310 317577 315867 342840 342804 381570 380432 375334 371448 393222 389837 340021 348050 325006 326410 361127 359274 348319 347604 367771 368180 368795 374044 338650 341004 358246 356417 356503 357316 367722 369927 358166 358361 354326 349058 401469 405890 343985 347621 335106 330509 358334 362501 377657 375733 350825 350003 363147 356417 360895 352021 354655 373596 349477 377973 354215 356495 365852 359416 374333 379802 342122 336332 225.9451 C4 H3 Cl N2 O5 S + 5.720686 4198 4543 4460 2320 4294 4246 3683 4985 3228 3458 5775 4148 3656 4176 4597 4903 2361 4102 4849 5137 5348 5753 5607 3264 4791 5259 3688 4621 5222 4824 2423 4449 4879 4481 5195 225.9453 225.9458@5.7848887 5361 3570 4094 4400 3674 4104 4170 4579 4886 225.9458 226.0594@2.154 9732 226.0594 3-Nitrotyrosine 17726 18757 15996 16925 17221 17097 44755 44596 17268 16831 19494 18140 19461 19891 11888 11697 14361 14054 13325 13264 10525 10531 12856 12898 11923 11594 16066 15244 10004 9371 17797 18317 11192 11389 11671 11464 12899 12281 19109 18878 13900 14112 8518 9518 14222 14184 10412 10558 11685 11258 12055 13515 9379 9735 10417 10863 11937 11818 33214 34032 13374 13933 13204 14296 8467 9007 2321 12287 10311 10161 18654 17689 10272 10329 11022 11597 19864 19891 8453 8516 18101 18165 18446 14228 13870 23409 23148 15451 15257 16423 18737 HMDB01904 226.06 226.0602@2.51 6758 226.0602 Glucoheptonic acid 32137 33353 46727 47525 33063 16297 32356 17016 18805 39302 35372 35970 12991 13612 15170 13916 34342 34670 29242 15149 43183 42512 15050 16350 14528 14250 16898 16461 33970 18318 39776 43289 17212 34290 44630 44534 16059 16429 46603 48590 36442 36550 40256 40156 16309 30788 38076 36551 45666 44654 42560 42543 16357 32395 16447 16242 38112 37227 17237 17690 40476 39749 44961 41474 41631 41021 40829 40834 36509 35613 31000 31056 35509 33770 40634 39731 17865 38090 32599 33963 36531 38142 41177 20704 39868 39179 34306 32745 14574 13547 28434 14895 226.0704 226.0739@1.643 4443 4081 3217 226.0739 226.08@3.936 2356 226.08 226.081@4.871 3837 3756 226.081 226.0894@1.306 8360 6811 226.0894 226.1186@5.4686666 1520 1572 1149 1987 1697 1333 226.1186 226.122@5.4585 1079 1469 1573 1546 1771 1560 1745 1819 226.122 226.1224@6.2486663 4343 3509 5468 5279 2468 3140 3682 3444 2705 4042 3797 3331 4926 4130 2469 6124 6002 2729 2974 3160 4028 2923 6304 6731 5338 5590 6130 3906 4232 6465 6706 4278 4325 226.1224 226.1273@1.4893333 5974 8628 11059 3814 4428 226.1273 226.1295@1.1594999 2290 2043 226.1295 226.1314@2.038 4731 4246 5268 19784 17828 226.1314 226.1351@1.4197692 4721 4286 2200 5621 2414 4168 7674 4180 2043 5898 3656 5416 4393 226.1351 226.1409@1.171 2083 226.1409 226.1442@1.398 2955 226.1442 226.1578@1.4054999 1707 2658 226.1578 226.1652@1.2104737 16694 5009 5393 30124 4137 5440 6943 6186 4700 4873 7439 6733 7029 4708 6248 1961 9660 8393 226.1652 226.1664@1.1833333 2100 7914 8973 4646 5831 3533 6500 7257 4906 4212 4842 4346 226.1664 226.1664@1.218 2832 226.1664 C12 H22 N2 O2 194116 196608 189139 188331 159597 156995 154876 133640 158726 157808 277158 274152 299863 293473 273531 271213 291654 284786 292875 286266 300182 292794 243119 248266 249873 244332 107576 275783 258220 252132 177187 185647 162346 162859 137953 143083 137072 141653 133326 130473 300115 300189 269015 269835 272194 281698 301416 293346 264607 262267 328156 284012 293990 290955 266852 260467 309717 303201 281035 269308 155616 162072 170527 168457 115609 116906 173610 172048 173971 183315 264906 270419 233602 235394 307677 305919 279104 105944 281800 207104 287310 264501 275376 253146 297503 291818 201043 201523 250467 243971 300264 298468 226.1693 226.1697@2.784 6547 80528 226.1697 226.1698@4.551 1729 226.1698 226.1724@1.108 1923 226.1724 226.1846@1.053 2530 226.1846 C10 H22 N6 3304 3621 4321 3742 2986 3195 5082 5095 5651 3542 3200 2575 2352 5511 3843 3317 3591 3050 1982 2501 6034 6065 3072 3383 3139 4527 3932 2850 2688 5122 2401 1808 8628 10261 3587 3083 2928 226.19 226.1992@2.0178 4824 5903 4365 5440 6447 226.1992 227.0046@1.819 10475 227.0046 227.0245@0.7733667 6343 2274 5803 5546 5639 6165 6856 5726 4937 7489 4911 6037 12108 12112 4126 5979 6379 11552 8913 5829 5490 4852 16171 17732 4593 1836 9402 9714 9937 7782 227.0245 227.0257@0.789 3570 227.0257 227.0581@3.0765 4793 4761 227.0581 227.0831@6.0615 3265 3849 227.0831 227.1164@1.373 5439 227.1164 227.163@1.359 4535 227.163 227.1724@2.7975001 7625 15019 227.1724 227.1727@2.7824445 12189 9932 35718 6233 7092 26035 7018 9135 10373 227.1727 227.1844@1.292 3584 227.1844 227.1887@1.2513751 4875 15923 4738 4763 10372 201530 4594 172239 2806 4031 150994 3125 176878 179466 6620 16910 5134 12067 4727 9984 23461 8614 6090 17385 227.1887 C13 H25 N O2 35152 40823 37142 42268 19863 18912 31133 31562 27227 27534 18779 17962 9048 8524 9902 9112 11301 10688 12418 12648 4634 4448 8307 7972 6438 6158 5298 4464 8099 7082 11035 11913 18793 18516 43869 40942 17369 17443 47921 48316 6801 6065 7917 8352 11703 12240 10775 10661 7505 8564 31935 30626 9005 9094 12224 11786 11881 10101 28712 29300 29726 30069 21193 23822 32831 33399 33200 31718 37160 37422 15086 14416 7948 8456 18311 15772 34858 22349 38561 9982 10004 11173 9337 11437 13671 12819 26031 31612 85808 85348 85798 88924 227.1896 227.1901@1.188 147783 209484 227.1901 227.22@1.1366668 16075 19206 4215 4465 3546 4236 227.22 227.2542@4.0259376 4933 3179 6593 11299 4963 4847 8856 3567 6108 7010 6521 4648 6710 4290 5684 4958 227.2542 227.2555@4.0321746 5018 3995 3361 4282 5339 3660 3102 3608 3704 3902 3086 3739 6181 4528 3928 3619 4477 4798 4521 3012 4308 3062 5073 5884 2699 3546 4024 4177 4530 5405 3424 3171 3895 3527 4029 12967 12064 5717 5753 4578 227.2555 227.2622@3.914 20369 18821 227.2622 227.8588@1.185 2061 227.8588 227.8731@1.184 1782 227.8731 227.9351@1.185 1595 227.9351 227.9652@1.183 1333 227.9652 227.9717@1.186 1463 227.9717 228.0654@1.6464444 5721 6706 2920 3976 3496 3756 3071 4045 4107 228.0654 228.08@0.7387272 5133 2888 15948 15391 1858 4720 5054 4610 6859 9564 10561 228.08 228.0846@1.2155 3610 2608 228.0846 228.0871@1.581 6438 228.0871 228.0889@1.2284 111150 116140 3796 3887 2956 228.0889 228.0963@1.276 3202 3027 2254 3835 3590 2493 4488 228.0963 228.0963@1.774 3633 228.0963 228.0964@1.98775 7425 7520 7800 7337 228.0964 228.0967@3.1409998 11525 13325 11246 228.0967 228.0971@3.259 14257 228.0971 228.1232@4.088 2202 228.1232 228.1352@1.1568333 1352 3020 2073 3098 5395 2466 228.1352 228.1356@1.4275 5917 8286 228.1356 228.137@6.138222 4938 6927 7446 3021 3134 3336 2664 2595 3806 228.137 Traumatic acid 4249 7705 2879 7361 2165 6186 15465 16623 2906 2272 4213 8230 6261 5961 19293 18802 5435 2243 4673 9933 12430 3876 4725 11019 12216 7476 10612 13752 12385 6179 3539 5412 3103 9804 7964 6314 17004 9652 9637 7844 2911 3271 7713 6038 6898 1725 7396 20703 22928 2961 5310 5718 4992 3376 10444 6094 7466 7914 1529 3552 16847 13476 2218 7347 6293 5555 11473 10983 14661 13701 14006 12768 1076 HMDB00933 C16308 LMFA01170002 228.1373 228.1406@1.1161819 12516 2656 6354 2522 4917 2363 9801 2698 1624 3840 33634 228.1406 228.1475@7.9784374 23642 4584 13444 13566 12867 8744 8501 14073 16339 14890 25332 25880 25661 37046 19265 13413 10032 10550 9692 15574 19351 39186 116846 117674 105255 113041 132283 131091 76637 74285 110439 110749 228.1475 Leu Pro 89315 96228 87264 87122 64480 53389 229103 229007 86897 88367 50350 54080 91229 89934 49185 52599 64750 72205 35856 53900 45025 51870 66027 67509 41955 48582 58468 57226 60520 55300 125269 129397 43408 44200 8064 35719 36538 32652 91426 80124 75779 78063 38263 37050 62934 61563 66345 65703 19059 48022 77761 82705 51856 53747 43871 39589 44982 46067 110072 106708 53701 46470 40719 55726 35212 25845 65284 67782 57354 60308 79973 78284 45877 39119 75763 73892 138734 131769 59581 55867 92730 88516 95686 78185 85131 102334 100420 28592 59034 92995 86017 228.1485 Leu Pro + 8.030013 123746 120523 116293 98210 79344 81665 318454 327657 104488 106607 68838 63434 112693 109416 54594 56483 83247 85298 71578 73531 56887 66727 79786 79107 50042 53353 58775 58740 72263 64248 167596 155378 57073 55106 54579 54576 33676 41672 94172 92472 93146 93610 51539 3339 53898 75373 80190 67269 55089 68505 110356 104002 56672 69249 51764 45007 64494 66727 133333 136584 56464 55735 68125 69618 54551 51246 84894 79215 63566 71823 81182 100830 43401 61160 104966 99684 177705 143877 78379 77545 88173 228.1486 228.1486@7.93 8165 228.1486 228.1644@1.127 2856 3110 228.1644 228.1724@1.126 5321 228.1724 228.1845@1.6085 5531 5400 228.1845 228.276@8.044 3051 228.276 229.0052@0.73950005 5573 5955 229.0052 C8 H7 N O5 S 5219 5799 8189 8952 4050 3849 6621 6673 7593 7847 4629 4112 5866 5701 3544 3638 3354 3295 3688 3420 4024 3994 3807 4091 7531 6726 2998 5619 5777 10407 10590 3416 229.0054 229.0426@1.565 8192 4199 229.0426 Amiloride 103002 101900 102683 102962 11427 158882 118067 122026 141330 147702 143472 146455 90700 88432 177969 178824 148533 145994 91396 91584 104613 107687 108874 109726 90190 89359 74166 75000 139257 142912 103590 107458 137173 130161 79653 80690 102096 95227 153475 146947 149116 146463 85582 80949 7713 158409 106159 107714 138189 140847 117201 122543 119493 121181 92183 94673 5818 71129 139363 138719 5162 5022 84062 83658 106817 106761 6101 5697 84543 84382 156432 156813 133126 130769 99583 95196 115495 114353 6969 90064 103135 102297 5928 4265 145312 144882 140918 133710 C06821 229.046 229.0465@1.802 5575 229.0465 229.0493@1.4894286 2756 1765 2774 1432 1693 4081 229.0493 229.0756@2.0012 18043 18079 8385 16863 18417 4608 5912 14936 11710 6311 229.0756 229.0784@2.009 8874 229.0784 229.0785@6.4352503 104486 103630 41821 42783 229.0785 229.0786@3.043294 32093 32139 4099 4542 17822 17499 5017 5105 5440 4610 8053 1459 5080 5951 17473 18325 17469 229.0786 229.0792@1.1960666 56989 52410 6395 11648 10973 7259 6480 17693 18160 79008 75669 24967 21693 3654 8108 8040 35886 36169 53781 48064 15377 18068 14862 14984 97101 93141 94692 22188 20052 229.0792 229.0795@4.037 2614 229.0795 229.0803@3.041 5667 229.0803 229.0826@1.195 5123 229.0826 229.084@1.993 3137 229.084 229.132@1.238 1685 229.132 229.1334@6.886611 4802 4260 4651 2137 2981 3144 2102 2934 3313 5355 2563 1330 1890 4742 4672 1772 2999 2727 229.1334 229.1338@1.68 3055 229.1338 229.1378@6.8936667 2979 4593 2918 229.1378 229.1486@1.1285 6735 3085 229.1486 229.1498@7.891 3963 229.1498 229.15@7.858077 2829 4233 6807 3655 2495 5479 2265 6939 1935 1907 2095 2978 7438 229.15 229.1511@7.93068 2566 2281 2611 2166 3168 1958 6915 3244 3846 7063 2411 6657 2239 3091 4216 4265 2047 2072 3685 8200 3879 5653 1859 3062 2818 229.1511 229.1581@1.336 3701 6823 229.1581 229.1641@6.8815002 2657 2469 229.1641 229.1674@1.20675 6258 4226 6408 6866 9629 7585 4617 2440 229.1674 229.1717@6.885945 3079 2858 3202 2429 3134 2506 2838 3305 2463 2440 5261 4742 1859 3104 2752 3469 3265 2040 229.1717 229.175@6.8860006 3068 6533 2355 2457 2572 2840 3434 2415 2102 5500 4340 3142 2944 2606 229.175 229.176@1.2014705 69204 13116 6535 6890 10721 5324 5283 5167 4670 5056 8596 4734 4153 4829 7310 7932 8501 9078 5759 5346 3479 4941 7219 7617 8533 8072 10804 7759 5870 6459 15174 6611 8060 7129 229.176 229.1785@6.887 6675 2380 229.1785 229.1787@1.19725 10328 4514 5378 5957 229.1787 229.1842@1.1940666 13620 7043 7187 7395 5720 5236 5640 5449 5849 5299 9934 4704 5023 21701 22497 229.1842 229.2419@4.0176363 25359 25664 4166 7016 6419 5439 5194 4654 4717 3720 2990 8492 9957 3530 3478 6966 7500 3342 41940 41859 5206 5378 229.2419 230.0369@0.785 3968 230.0369 230.0749@1.98 44966 230.0749 230.0789@5.817222 3769 4328 3607 4790 4370 4658 4879 3253 4371 230.0789 230.0799@1.8251429 4274 4058 4715 2702 4412 4885 4271 230.0799 230.0812@1.8199998 3029 5558 3812 13532 14662 9302 21560 3783 230.0812 230.0956@1.1153572 528011 541853 718826 724410 446198 437380 2329 22518 22992 13251 12977 1671 183856 179616 230.0956 230.0958@4.79325 3217 2989 5654 5821 230.0958 230.096@0.773 3891 230.096 230.0987@1.16625 4343 12251 7819 7714 230.0987 230.1075@1.3715714 4383 6390 7602 5896 7454 13039 9420 230.1075 230.1107@4.3325 7816 8325 230.1107 230.1149@1.611182 8087 3195 5226 5980 9175 5497 6010 8375 6753 6629 5951 230.1149 230.1172@1.1085001 2896 2669 2280 5080 3443 2240 3636 3792 3507 4843 230.1172 230.1204@1.1045 1958 230.1204 230.1291@6.3041925 2451 4725 2054 1700 3473 2357 3264 3490 3902 4175 3942 4049 2494 2990 3068 1693 4655 4491 4880 5008 3442 3411 2943 4803 2918 2453 230.1291 230.1367@1.199 1441 230.1367 230.1458@1.18 15178 6258 2644 230.1458 230.1504@1.1631429 4610 7578 2821 4799 5974 17828 3921 230.1504 230.1559@1.1930001 3884 12441 230.1559 230.1654@1.2021818 1803 4442 3714 1912 5266 6698 4346 1875 4273 4339 12699 230.1654 230.1719@1.202 2800 3352 230.1719 230.221@1.1034999 7150 8381 5696 5932 230.221 230.2255@0.807 42323 42145 230.2255 230.274@1.1010001 2203 2334 230.274 231.0219@0.83490324 1092820 1077197 2889 3825782 4116168 9755 9221 300496 309289 1101099 1107416 2902 7399 7230 960123 942465 3394 50893 53749 3695 10626 11270 1100878 1095978 361737 329138 318118 3738 1459585 1454368 231.0219 C9 H5 N5 O S 7094 7094 8625 6449 12569 12448 8695 7013 9961 11142 10138 9839 24334 25930 3399 3255 6355 5793 27506 29804 35162 36309 2944 2944 9378 9393 7280 5275 2269 2438 7817 7640 8130 7751 7536 6430 7023 6409 2870 2854 19158 18500 10028 7331 8862 9647 41664 38318 6638 7105 4544 4522 7021 7081 1859 2025 14297 12262 20474 19992 231.022 C8 H9 N O7 12763 13481 13348 13059 14014 13373 13302 14128 12910 12996 14430 14251 14669 14643 15466 15350 13995 13279 13377 14065 12473 12777 15447 16173 14654 14339 14650 13786 14519 16205 12944 12371 12043 12618 14168 13438 13687 13401 12688 13495 13523 13682 13207 13062 13159 13591 12881 13533 13950 13690 15337 15088 14075 14232 15652 15100 14297 13801 14568 14479 14444 14624 12120 12002 15579 15567 13488 13515 12593 12318 13621 15262 14897 15546 13898 13601 13915 13408 14400 12744 12771 13905 12922 12883 13437 13251 13386 13438 14710 14500 12629 11760 231.0375 231.0521@3.086 5387 5159 231.0521 231.0581@2.7874615 8198 6955 5770 7024 9507 11414 23000 23116 6091 4593 4329 5528 5490 231.0581 231.0591@2.776 3783 231.0591 231.0916@3.2468572 6749 5773 5674 6256 6935 7247 4598 231.0916 231.1082@1.202 2307 231.1082 231.1145@1.203 2083 231.1145 231.122@1.2026666 2669 3020 3359 231.122 231.1268@1.2014999 7963 5602 231.1268 231.1279@1.5205 2688 2502 231.1279 231.1318@1.201125 4416 5489 2206 5718 3029 3709 2235 3712 231.1318 231.1455@1.17 7086 231.1455 231.1468@6.763 3502 3678 231.1468 C12 H17 N5 338240 349683 193381 194641 266637 265308 371924 375187 210492 210874 149035 146524 218333 219478 67446 71985 165052 162220 109233 110857 195168 200116 99673 98769 203663 205147 270162 268286 145753 145373 192369 195752 123789 123477 160110 160210 225731 219303 162714 161364 164983 170680 250024 257154 172849 175415 166190 169460 217116 218619 130224 126433 213273 218252 147255 147133 190552 190593 279317 279998 115662 118773 188418 191085 288317 291761 148309 148793 415765 415427 224250 226472 227766 225759 106021 108292 268935 272408 89563 88023 148616 155620 149708 313757 319594 288298 284250 150378 146301 257154 254547 231.1486 231.149@0.83875 1478 2864 3360 231.149 231.154@1.1625 5561 7705 231.154 231.1571@1.17 4974 231.1571 231.1623@1.0482501 2730 2537 5591 5254 231.1623 231.1628@4.4455004 16454 16251 231.1628 231.1637@4.3640003 5325 5067 231.1637 231.1712@1.21 9011 231.1712 231.1825@1.7095002 3719 3614 4062 3125 12179 11436 231.1825 231.2754@6.7031436 5041 6280 2363 2166 3057 3790 7726 5554 2741 3145 2990 2493 1662 1764 2495 2838 3087 3728 2283 1526 1955 3330 2646 2196 2229 2417 4048 4502 1897 1777 2301 2346 3356 3643 2412 2560 1476 2418 2651 3884 5019 2552 2602 4426 4699 8010 8392 3298 3510 3006 3858 4350 1713 1702 2069 6173 5367 4483 3855 1472 1610 4255 4004 231.2754 231.9953@0.80125 4249 4039 4033 3254 2875 4109 3086 3287 231.9953 232.0229@0.803 2661 232.0229 232.0704@5.543273 1949 5179 1645 5294 1836 4995 5602 2425 4244 4424 4445 2615 2576 2007 1515 2353 1870 1315 2310 4336 2029 2058 232.0704 C9 H8 N6 O2 2339 1556 7579 6872 1455 2360 7647 7218 6564 7628 8221 4874 2106 5499 7185 8219 7627 1666 7275 7501 4505 6891 1492 8122 5370 6335 6534 6997 6576 6640 1757 8285 7618 7563 5570 3224 1677 2824 5806 7255 4556 5697 7218 3867 6355 4360 4758 6461 6695 6819 5216 5944 6569 2617 7309 7024 6475 6640 6803 6446 7694 6383 6485 7374 6754 7704 7160 5480 7035 6854 6630 6777 4985 6867 4753 6094 3391 6612 6407 6853 2673 7626 7116 6437 5267 4965 7120 7109 4097 232.0717 C17 H12 O 2889 3933 3523 4786 3300 3340 4371 4407 4108 3779 4162 3885 4735 3030 4093 4717 3595 3773 3865 3513 4697 4072 2941 3982 4352 3475 3108 5737 5058 4115 4276 3512 4149 4013 5683 5030 3782 3875 4620 4380 4071 4992 5494 232.0879 232.0888@2.0302498 4239 4462 2886 4454 3659 3768 4563 3022 2735 3633 4081 3411 4126 4080 4413 5592 232.0888 232.1115@1.0835 3141 2979 16536 17368 3210 2435 232.1115 232.1253@4.068 14292 232.1253 C18 H16 5673 5818 5345 4545 8570 9109 3898 4977 3444 3320 4887 5138 3378 3107 4368 3892 3092 3522 3012 3644 3647 3917 5091 5327 3052 2967 3152 3159 4789 4465 3761 3774 3414 3060 4203 3875 2476 2834 5956 5060 3270 4279 3797 3490 3889 3646 3395 3841 2775 3336 3606 3023 4573 4576 5129 3343 3645 5268 5295 4740 4762 7528 21367 4415 6083 232.1271 232.1426@1.8832 16319 14916 3220 7019 6657 232.1426 232.1432@1.918 3675 232.1432 232.1459@3.037 8078 232.1459 232.1471@2.9369998 31479 26373 232.1471 232.1481@1.128 5627 7300 232.1481 232.1487@0.99250007 1935 3181 232.1487 232.1494@1.041 6044 232.1494 232.1525@0.8405 7661 6144 232.1525 232.1529@1.1164999 4476 5114 232.1529 232.161@1.106 3170 232.161 232.1655@1.1288334 3007 5738 5773 4101 3512 6120 232.1655 232.1719@1.0866001 5594 3406 2331 3820 4947 232.1719 232.1762@1.1345 3304 3466 232.1762 232.1947@4.0015 15482 4590 232.1947 232.1954@3.981 10826 232.1954 232.2014@0.842 4836 232.2014 232.2493@0.836 1615 232.2493 233.0368@1.8435 19770 19987 6956 6901 233.0368 233.0681@5.8 7742 233.0681 233.1075@0.812 10452 12854 233.1075 233.1271@1.2135 2527 4406 233.1271 C11 H23 N S2 5263 6840 10815 9107 15672 13518 14710 15802 9228 5142 7248 9109 4306 6280 11574 4545 4140 11250 10305 8068 8420 3300 14643 13635 10568 8923 6457 7693 7648 6549 5082 7479 4801 5211 12533 11703 3564 4144 12317 7646 8621 9989 8130 7005 7780 8833 6419 4033 4328 19524 8349 12544 9034 6646 7445 10005 10916 4907 4678 19465 15452 233.128 233.144@1.078 2894 233.144 233.1475@0.848 2463 233.1475 233.1519@1.102 3059 233.1519 233.1642@1.181 6911 233.1642 233.1969@1.1842941 2884 2701 3995 4232 2219 1769 1693 2478 2677 1744 3502 2895 1851 1906 2000 2727 2073 233.1969 234.0013@1.505 152254 104223 234.0013 234.0714@1.977 4768 234.0714 234.076@1.6685 12583 10989 234.076 234.0891@2.0180001 22506 34306 234.0891 234.0918@1.925 28595 31324 234.0918 234.0919@2.053 22566 234.0919 234.0933@2.113 38728 91900 234.0933 234.0992@3.65 2188 234.0992 234.0996@3.687 2871 234.0996 234.1128@5.8380003 2234 2813 234.1128 234.1133@1.3225715 12473 61943 63170 4079 20083 9272 7192 234.1133 234.1139@4.659 1849 234.1139 234.1269@1.1798333 2376 2702 2028 115971 120029 1916 234.1269 234.1271@4.219 9359 9674 234.1271 234.1275@1.231 28852 234.1275 234.1349@1.222 2530 234.1349 234.1445@1.1485654 2964 3122 2834 3430 3219 4677 5454 4797 5754 2852 2992 4046 1922 7349 7702 3425 3755 4491 6264 4958 4481 2056 5942 234.1445 234.1471@1.1483885 5556 5265 2715 2820 3965 5132 5653 4814 4460 5871 4876 3375 4350 4135 5135 4192 3584 4746 2610 3007 3194 12679 3220 4547 4531 4187 3650 3403 10302 5796 6199 4507 3403 3964 4879 5038 3829 3519 4761 5031 4561 4423 3845 4348 4428 3525 4089 3285 6368 3318 3827 3763 5708 234.1471 234.1519@1.143 2800 234.1519 234.1587@9.452571 3186 3473 3484 3280 3630 3466 3283 2900 3520 3482 6583 3557 3484 3604 234.1587 234.1599@6.615 15048 234.1599 234.1601@1.199 1522 234.1601 234.1676@1.2 4859 234.1676 234.1748@1.2055 1929 14356 3044 2448 234.1748 234.1765@1.209 10610 3013 4177 234.1765 235.05@2.7680001 5080 8413 235.05 235.0596@1.514 4286 235.0596 235.0958@2.087 16535 235.0958 235.1475@1.2002499 4237 3146 3976 5294 235.1475 235.1557@1.1997648 6981 8540 6642 4114 5272 4394 2768 5328 2140 4022 3588 3470 4461 6358 5989 3384 6883 14533 13411 3223 3687 5018 5333 4727 4402 3802 3480 3184 4889 4659 4127 4013 2958 3012 3689 3486 2994 3959 4504 6617 4367 3975 3392 3020 3887 4146 7946 8918 19079 14064 235.1557 235.1577@1.2021999 7718 4011 4657 4654 4224 235.1577 235.1578@4.5245 3821 4521 235.1578 235.1948@1.693 10408 10059 4564 4743 235.1948 235.2149@1.1242001 1348 1584 4054 1994 3994 3370 5644 5774 3502 2858 235.2149 236.0107@1.206 1937 1824 236.0107 236.0975@2.1750002 16213 15805 236.0975 236.1046@1.1965001 5664 6712 236.1046 236.1352@1.1563333 5474 5239 5215 236.1352 236.1416@1.1480502 6282 7179 6713 6847 4438 2940 3830 7260 4913 6403 7374 6137 8445 12985 10522 9569 4725 17976 17515 6501 6667 3533 3266 11227 5838 6609 3397 6171 7155 9045 13339 7520 6853 9726 5596 5151 5769 6986 7757 9726 10408 6768 5148 7271 3976 8697 7285 8098 7298 5906 8879 7359 8127 11957 9244 2803 2876 3946 3927 236.1416 236.1447@1.1600001 8478 7470 6700 4218 5333 6106 4571 5346 2474 4816 2435 3234 4356 4808 4553 6481 5585 7703 236.1447 236.146@1.0801666 3183 5059 3441 1736 6338 4452 3228 4899 3606 4104 4587 3667 2883 4256 4109 3691 5830 5297 3552 3179 2989 3288 2705 2242 236.146 236.1535@7.2970667 4048 4431 2730 7799 7461 2926 2920 5175 4585 3801 3371 3437 3746 8921 3991 236.1535 236.1548@1.075 2134 236.1548 236.1607@1.0895714 3185 4150 4850 12008 1596 2395 2207 236.1607 236.1658@1.056 2973 236.1658 236.1744@1.1355 6264 3355 236.1744 236.1785@1.0645 2584 3470 236.1785 236.2006@1.112 2327 236.2006 236.2022@1.1124166 5026 3352 2334 2929 2408 3584 3669 3234 2395 2641 3916 5315 236.2022 236.2117@1.12475 2007 3186 1716 2722 236.2117 236.9542@0.80649996 7728 2907 236.9542 237.0736@1.405 9273 9341 237.0736 237.0939@3.8405 2342756 2367455 1017069 1001525 237.0939 237.1061@6.6898756 2208 2262 2544 3182 3370 2168 3427 3521 2028 3115 2205 2081 2674 2977 2997 2620 237.1061 237.1524@1.214 5183 5195 2604 3099 2725 237.1524 237.1594@1.196 3833 17358 12548 2942 9051 237.1594 237.1599@1.2087895 15524 2742 3303 3656 3335 3751 2948 2764 4303 1608 4081 7071 3289 3439 3283 2309 3601 2428 5406 237.1599 237.1644@1.2178421 9509 2283 2931 2961 5334 5080 6508 3389 3776 4064 2802 3680 3000 4420 2300 3819 11652 4578 7690 237.1644 237.2239@3.8345 15658 15095 237.2239 237.2727@3.8395 7658 6521 237.2727 238.0619@0.81200004 7615 6476 238.0619 238.0647@1.928 3853 238.0647 238.0744@2.2280002 6455 6402 238.0744 238.075@1.214 1846 238.075 238.0844@1.5666666 4143 4748 234000 238.0844 238.0853@2.0530002 6525 2642 38501 238.0853 3,4,5-Trimethoxycinnamic acid 159753 161287 21794 17080 9078 10216 39048 38755 73176 73586 117591 119605 6388 7646 9685 14220 10921 23314 25946 214519 213263 100181 95896 21539 14065 10226 7125 645039 671383 28652 27409 15745 14844 290986 62219 197949 201783 59559 56186 102274 104750 29286 28935 35895 30081 143932 146817 204419 207978 488410 482267 3032 351553 342563 24933 23079 11853 12809 43973 43255 195571 199325 44936 46802 101356 95392 91018 41350 42535 59238 55111 9789 11902 50700 47708 HMDB02511 238.0855 238.1347@2.0195 4560 3966 238.1347 238.1361@1.522 19534 238.1361 238.1407@1.5486666 14199 7353 13683 238.1407 238.1414@2.897 5304 238.1414 238.1417@11.382 1245 238.1417 238.1419@2.238 54673 238.1419 238.1419@0.931 5927 238.1419 238.142@2.100722 17624 132204 7080 15732 13133 141786 220661 120539 15930 11237 12746 21561 11072 43148 67509 14301 60321 7466 238.142 238.142@3.357 8669 5925 6690 238.142 238.1422@2.83275 16924 24014 8995 17611 238.1422 238.1422@1.109 11784 238.1422 238.1423@0.6618333 60084 25215 40334 47258 41967 35214 238.1423 238.1423@1.6242001 11089 19722 36287 16661 23405 19678 12724 14261 11347 23060 238.1423 238.1423@3.5904999 8101 7679 11098 4035 6337 14348 238.1423 238.1424@0.71279997 20928 14394 18187 14720 31731 21181 33176 11298 15438 24248 238.1424 C11 H18 N4 O2 92680 105270 83352 89830 121635 95457 31689 95320 104117 117577 87956 23486 115025 6406 127931 114199 421220 432999 106557 49521 102369 149158 119532 107028 137815 150306 15173 16448 107939 54113 736009 361609 37625 226385 15113 131707 195960 191035 111888 124198 82079 81051 62324 140354 165401 175759 74339 59472 74557 14858 12928 94507 77429 87828 176325 161129 196404 224877 69217 36758 199139 128736 62776 11930 129860 126547 370550 351850 120423 122441 100453 32676 70486 55345 85626 11035 70023 191390 133589 74292 87285 83602 102014 115577 89352 87480 180022 175531 72411 71673 238.1425 238.1425@5.380333 10813 6798 7782 238.1425 238.1425@0.8295 29787 5544 238.1425 238.1427@2.772 12057 238.1427 238.1428@1.227579 18048 11000 22667 27515 37671 19540 10594 37697 26204 27888 20469 33390 33501 16886 20861 32029 20775 18844 24956 238.1428 238.1429@0.9038 80056 20242 25378 64597 18194 30763 16307 46999 20049 238.1429 238.143@1.05625 3516 14085 8724 6842 238.143 238.143@4.108 7122 16115 238.143 238.1433@1.6570001 26361 11972 238.1433 238.1514@1.152 26795 33976 238.1514 cis-11-Hexadecenal 14803 15412 17288 18094 9609 10055 23833 23954 16048 15981 11495 11411 15352 15075 9781 9743 10693 11107 13884 13874 8388 9034 8425 5787 10673 10674 11668 11450 7674 7138 14607 14274 17518 16726 14237 14107 15726 16131 17330 17394 13492 12715 10495 10754 10508 9608 11314 11215 12088 10997 14019 13767 7614 7881 12889 11320 8697 8655 13377 12445 16352 16522 20932 19319 14587 14970 12358 11002 14620 14145 20650 21852 13870 14548 11071 11187 10109 9006 11619 11947 12195 12085 12015 11610 7964 7246 11821 11484 24968 25256 9005 8243 238.2287 238.2378@3.7169998 5485 3606 4174 238.2378 238.271@1.54 4774 2261 1090 238.271 238.2712@2.154 2735 238.2712 239.0481@1.183 1559 239.0481 C9 H13 N5 O S 5306 4320 4694 4516 5799 5384 7915 7058 6037 6026 5606 5317 4528 5485 3460 4935 5218 4414 4379 4473 4635 4561 4482 5142 4724 5948 5363 5067 5407 6229 6276 5296 4838 5243 5541 4501 4159 6454 6567 5633 5289 4504 4778 3691 3849 4370 4325 5771 2430 5753 5868 5229 4888 4519 4575 4695 4397 5050 3453 5808 5411 5887 6104 4816 4842 5038 4856 5506 5206 4881 4939 4335 4463 6473 7280 5460 5184 5514 5554 3332 239.0845 C15 H13 N O2 20455 21285 17673 14006 17126 14234 19892 19671 28691 28368 25855 5697 28929 29645 27935 28232 39515 38709 17971 19319 7088 8680 15926 16047 17593 15227 22329 20361 28326 27075 27569 28207 20682 20543 20892 20770 36452 36976 24815 24900 27320 29962 42607 43123 20190 21758 20827 20197 19057 22860 21452 21681 12703 11565 23616 24658 9919 10396 43678 42831 26887 26666 38620 41242 26161 25637 10068 11292 23590 23349 22378 23029 16097 13314 20729 23175 20907 12338 10129 5496 6556 5904 7664 8692 30277 28152 11174 10757 23872 26280 239.0967 C12 H17 N O2 S 4968 4481 3572 17937 4101 5353 6021 6042 6499 8103 3031 4475 3439 8052 7882 10302 8769 11516 11799 15211 13663 4299 3483 2513 5515 5608 3962 4281 5096 4572 8668 9084 8034 7042 3175 2538 8920 8636 12429 11695 10756 12761 7103 6873 12659 11278 5071 3955 6438 6875 4721 4954 7109 5815 4984 4446 10826 9820 11129 8392 6848 6549 8974 8414 8664 5302 5650 4667 4373 5400 5015 21064 20767 7128 6699 17905 14430 239.0989 239.1123@3.6733334 34072 34269 11173 239.1123 239.1177@3.672 16418 239.1177 239.135@3.771 2005 239.135 239.1393@2.036 4461 5050 6166 3021 239.1393 239.1405@1.55375 4339 8609 2556 1794 239.1405 239.1417@3.773 2100 239.1417 239.1447@2.811 1826 239.1447 239.1453@2.154 19099 2555 13074 239.1453 239.1468@1.248875 4368 3430 4828 4282 3005 3333 3981 9504 239.1468 239.1507@1.1822855 230915 15715 2271 4499 4483 3506 239.1507 239.1538@1.165 220267 239.1538 239.1719@1.1936 2739 1710 1624 3135 1409 239.1719 239.18@1.1901667 2413 3922 3243 1766 5944 5658 239.18 239.1865@1.1895001 11040 10352 239.1865 239.2166@3.8383334 38874 11276 2327 239.2166 239.2256@5.3100004 11888 12161 239.2256 239.2732@3.8395 3331 3607 239.2732 239.2826@1.166 3620 3210 239.2826 C7 H4 N4 S3 13942 13536 14803 15032 15224 15669 16528 16446 15310 14510 14061 14423 15578 15504 14936 15354 15590 14681 14950 15229 14966 15625 15496 15295 16834 17100 16820 15355 17175 17677 13018 13802 14769 14915 16976 17233 16650 16556 18223 18037 15084 15667 13474 14297 15441 16230 14431 15419 16805 17295 17082 16774 14304 14128 15843 16873 16369 14117 16499 16697 15575 16233 15479 15770 19718 18878 15584 15776 14289 13457 16074 16423 16814 17416 15298 15514 15840 15379 16131 15068 15350 17074 16999 17345 15363 16567 16846 16178 16739 17410 14476 13667 239.9597 240.057@4.684 3290 3589 240.057 240.0878@1.9430001 4165 3163 240.0878 240.0904@1.7425 5478 5232 49879 38207 240.0904 240.0911@1.851 4739 7657 8955 240.0911 240.1017@1.1657144 145983 146336 80359 54273 50110 99389 102318 240.1017 C12 H17 Cl N2 O 65650 66705 8000 9451 36825 31088 2736 2067 2475 3262 2847 42841 44692 13189 14408 17273 16117 21507 75740 59977 60941 14517 15012 36436 38574 4856 4326 5079 12210 52318 43857 43423 15443 14071 10304 7848 29446 29924 2838 21461 7723 19406 8262 13279 17019 13250 19775 31252 27747 8631 15914 15584 240.1032 240.1081@1.2216523 6593 9474 6194 6778 1825 4187 4926 6137 7489 7501 7468 5744 7022 2500 6083 3568 4719 4881 1774 2844 6863 3749 8697 240.1081 240.115@1.152 4917 240.115 240.1228@1.1485 2015 1606 240.1228 240.138@1.147 1824 240.138 240.1489@8.1042 5794 6179 4832 15423 8320 6278 9065 12721 7887 6842 240.1489 6,8,10,12-pentadecatetraenal 31220 33433 26963 26984 29263 28416 78374 81394 29504 28790 24190 24226 32195 29356 20704 13037 21535 22281 21978 22579 19458 19278 22007 21688 19281 19227 23524 22850 18995 16819 41066 40262 14826 7229 18979 19000 16456 12269 33687 31596 29416 29154 13860 13950 22479 23364 19978 18268 20101 19709 30892 14605 20316 19950 17497 8806 20874 21096 52382 52001 19493 19901 20323 16722 14619 13289 17375 21133 19778 10508 15163 29554 13901 15652 26191 25817 45671 47196 17030 19389 19214 26593 27410 32096 31265 37908 36036 20249 20141 31675 19939 240.149 240.1491@1.1533333 3735 5354 2142 240.1491 240.1606@1.1263334 4347 3923 3363 240.1606 240.1693@1.1214584 3290 3589 2724 4034 5046 2407 3142 2416 3245 2511 1879 2201 5297 2816 4089 4132 7090 2885 2402 4870 6383 4162 2857 240.1693 240.1697@1.191 2193 240.1697 (1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid 3465 6143 8907 4851 6519 3793 3439 5173 3435 4838 4875 4578 6953 7771 5298 4456 9147 9206 2697 10975 8346 10226 136378 7543 9138 5499 8389 4262 3085 4143 6290 2931 5063 3704 6067 5199 1792 10962 9043 4086 6716 3557 3937 7321 7661 3839 7301 11566 7900 3089 3833 8420 3528 5180 7253 4869 5695 7120 6439 7318 3558 3995 7294 3305 48368 6756 3169 3284 5571 5991 41930 2669 3020 4769 240.1727 240.175@1.1259999 4567 2748 240.175 240.1974@6.53 2222 240.1974 C6 H11 N O3 S3 40754 41996 38214 39694 40333 41260 29908 29615 36896 38849 33690 34200 33324 33516 40213 40690 37878 36273 33749 35164 50484 50561 31628 30982 34439 32434 32351 31692 30087 30121 41356 41895 33876 33796 45660 45481 34891 34413 39190 38101 30500 31294 36364 37796 32058 31793 31177 31383 37815 38003 40859 40797 27831 29654 28225 28457 32546 33773 38397 38994 39780 40284 31956 31451 36516 38488 40899 39819 37167 33980 28067 28445 34062 32693 34462 33687 36747 39150 35916 44565 46725 39764 40864 39820 49818 45233 31561 31647 29597 27637 30980 29210 240.991 241.0059@0.86525 4450 4270 6240 6552 241.0059 241.0431@2.138 7173 5802 241.0431 241.0983@2.7099998 2380 2199 1785 1594 2367 2297 4047 2585 241.0983 C11 H16 Cl N3 O 2117 1346 7101 7079 2277 3509 5503 6263 6497 8884 4475 5029 6290 4495 5002 4795 6261 2421 3515 4369 4313 5280 4348 4308 3961 6621 4215 5955 5819 4085 5921 6066 5574 6071 6204 1843 4254 4879 5434 8210 2049 3472 6124 4739 8631 6354 2245 7154 8401 6637 241.1002 241.1243@3.7793334 53135 61895 138307 241.1243 241.1246@3.73125 201903 192614 377941 524976 241.1246 241.1253@3.95475 1202757 1196463 2635088 2677138 241.1253 241.1475@4.131 4808 241.1475 241.1478@4.08525 11088 10758 7663 8521 26388 18107 23127 21676 241.1478 241.1663@1.2046666 20282 2092 6468 6250 7201 7407 241.1663 241.1713@1.2066317 11623 11123 2410 2198 2106 10886 2314 2049 3558 2695 6894 13002 10966 7506 8463 1960 6068 1324 1816 241.1713 241.1731@1.2077082 2316 1962 2390 2470 1799 7444 2439 6656 1792 3657 1825 1808 2192 1877 2037 1712 2160 2306 2136 2886 5505 4108 2158 2316 241.1731 241.1851@1.1995001 17590 2045 241.1851 241.1968@1.1815001 5089 3648 1908 2299 241.1968 241.2021@1.1205001 3087 5473 4896 5253 241.2021 241.2022@1.1747878 4900 3831 5014 5769 3881 7639 7312 1452 2393 2561 2702 3317 3399 2586 2311 1833 1910 2063 1850 2259 2100 1825 1662 8021 9490 3460 4722 2390 1625 4637 4798 13836 5170 241.2022 241.2411@1.1345 5139 5478 241.2411 241.264@3.7259998 6673 3275 241.264 241.2714@1.979 1938 241.2714 1-Hexadecylamine + 3.6542141 3793 2486 5307 4058 8072 3494 8279 3533 6417 4300 4421 4948 10093 2493 10177 4167 5828 4991 5340 3831 3917 5854 4488 5586 6447 9276 4599 2932 5661 6452 4549 7463 6675 5686 11471 7380 19362 6617 2789 4599 5525 6466 241.2775 241.2776@3.585 2326 241.2776 241.2777@3.936 7126 241.2777 241.2781@2.5640624 2211 1943 3240 3853 4034 4066 8964 2570 12471 1926 3460 6150 1942 4856 9799 4175 241.2781 241.2781@2.6771667 5033 5889 8571 11704 13922 3713 241.2781 241.2781@4.0069003 21233 3589 11794 2440 8631 12942 16998 12869 23350 8204 4090 16939 15816 1165 7900 6062 9701 26333 19908 20291 241.2781 241.2782@3.757333 15228 2948 3414 3096 3743 2982 3431 5114 2545 2395 3453 13754 241.2782 241.2782@2.526 2548 241.2782 1-Hexadecylamine 14698 15588 18554 15370 9050 3950 9999 15471 8979 9159 13195 12933 8029 14491 13486 10608 17198 7419 16940 12293 11273 14212 13636 10294 7774 7767 15649 9330 9205 4455 13271 17130 6539 8048 12386 8430 7791 16770 11749 11543 4396 13401 5520 11107 12246 7932 15561 14170 14171 13531 15821 15771 8099 12049 16116 8678 18851 11854 12418 7079 6998 15826 10953 9550 12240 12550 10452 16172 8126 14787 18862 9104 19320 8158 7169 17714 241.2784 241.8667@3.942 1742 241.8667 C4 H2 O8 S2 8331 8486 8199 8821 8655 8519 8807 9034 8276 8502 7929 9320 8498 7984 7784 8559 8793 9372 9322 8227 7826 7898 8229 8408 8920 8136 7627 8541 8688 9049 8416 9646 8411 10315 9386 9513 9318 9352 10427 8508 9207 8056 8728 8420 8061 7530 8031 8569 8076 8668 9327 7640 7831 9035 8041 7953 8121 8951 9085 8661 8248 8423 9130 9819 9796 8571 8934 8602 7623 7499 7878 8345 8626 8090 7639 8395 8656 8212 8440 8206 8091 8125 8488 8776 8680 8081 7899 8679 8130 7714 7932 241.9187 241.9189@5.607 3196 2658 4090 3736 241.9189 241.9429@3.955 2754 241.9429 C11 H6 N4 O3 7149 3071 4242 4194 6079 5510 5248 2303 3587 6852 3379 2792 3917 2572 4943 2385 6160 5149 5283 5864 5753 7229 7016 5637 5166 3578 3339 3700 4399 8167 3541 5697 5321 3547 7419 5103 6748 6682 6457 6893 4157 3481 3122 6710 4042 8644 5346 4002 5692 5756 8135 4367 7988 3813 4629 4642 4369 3919 5815 6142 2939 7709 6277 3367 3573 7344 2993 3277 7284 7175 3878 4654 4681 4908 4695 6555 4125 4965 3871 4336 6516 4146 3891 8698 7621 3984 3290 6114 8445 5103 242.0466 242.0503@2.141 4395 242.0503 242.0785@1.897 7295 242.0785 242.0797@1.4769999 1587 1805 6784 242.0797 242.0957@1.468 6503 242.0957 242.0963@1.0560001 2260 4480 3659 242.0963 242.0964@1.5474001 8173 9347 4350 4120 2355 242.0964 242.0969@1.4458333 5321 5917 1534 8588 3778 5472 242.0969 242.106@3.3109999 10378 9801 242.106 242.1121@2.084 4001 242.1121 242.1158@1.1895 2038 4378 3087 2158 242.1158 242.117@2.66875 6240 3916 5739 6521 242.117 242.117@2.962 24426 23245 242.117 242.118@1.629 9338 12423 242.118 242.1234@1.1526667 2191 1699 2025 242.1234 242.1264@2.4185 7241 5832 242.1264 242.1308@5.166929 4752 4029 3014 2887 3600 3704 28384 27117 90068 2897 3556 3375 5301 45121 242.1308 242.1317@5.245333 2619 7597 7134 242.1317 242.1378@1.163 3370 242.1378 242.1434@1.16 2659 242.1434 242.1503@1.158 4729 242.1503 242.152@4.103 4078 242.152 242.1556@1.232 2681 242.1556 242.1605@1.192 7855 3514 3986 2394 242.1605 242.1727@1.105 6621 242.1727 242.1753@2.599 2912 242.1753 242.1765@1.082 3920 6397 3160 2402 7297 3947 5133 242.1765 C15 H27 Cl 1994 2504 1884 2640 2318 2634 3981 2408 2653 3950 3563 4207 4199 3918 4055 2365 4191 2852 2897 3081 2982 2117 2403 1794 3461 3874 2254 1993 1645 1590 6489 4338 2913 3500 1517 1713 5079 8334 5271 3332 3579 3150 6151 3347 12291 12637 1948 1973 1742 2344 1520 1910 2025 5513 7201 7508 3013 2848 8381 8807 9024 5695 9582 6900 7223 2426 4175 8774 8320 242.1772 242.1835@1.1025001 5066 3089 4808 33803 242.1835 14-hydroxy-12-tetradecenoic acid 28142 27821 2231 11015 11087 33028 13462 137848 11434 12000 11442 56624 2187 13094 13054 7125 4806 9892 10326 5052 31363 19126 18639 13299 297261 16211 13959 12137 10880 69629 27760 9428 12066 8109 28682 7070 7234 10080 10669 15388 15262 9968 9412 12406 10867 6712 5942 7538 9190 6373 6251 15470 15779 11134 12354 34410 39996 222588 8667 10051 10411 8843 9174 13553 13971 7526 7625 7518 7461 7863 5577 21895 11643 22844 149491 12484 8446 35411 7451 9158 9656 32397 7329 7522 242.1886 242.1943@1.3385714 3648 3150 2497 2849 2729 3072 3099 242.1943 242.2104@4.083333 5051 3386 2854 3491 3671 3021 242.2104 C12 H26 N4 O 15126 14686 13653 11898 11186 10715 15820 12075 16495 17630 13410 13029 13785 13815 13661 13940 24270 25853 13859 12287 12269 11715 11872 12165 29113 27913 18168 16743 10415 10430 23512 23453 12947 13257 12759 11764 9597 9075 11284 14288 13374 14092 14064 13771 15539 14982 11792 12272 11118 11551 10763 11803 24907 25055 10038 10255 13667 13923 13337 12839 12552 12959 13792 13347 10877 12145 13443 10877 14033 13716 11860 13973 10576 10469 11708 12432 12485 5967 11653 12438 12134 15813 15240 15159 15480 14832 14731 14502 10401 13761 14051 13319 242.2123 242.2669@3.9505 9057 8348 242.2669 242.2771@4.001 3700 242.2771 243.0212@0.83976924 3842 3749 3560 3462 6754 7214 7335 7545 11721 11435 3740 3712 4901 243.0212 243.0473@5.783546 1860 1898 1785 2005 1182 1946 1866 1746 1412 1392 1814 243.0473 243.0582@2.9310002 8392 11717 243.0582 243.0596@2.982 4026 243.0596 243.0728@3.817 5406 243.0728 243.073@3.227375 12104 2521 11481 11233 10240 5652 5452 5793 1518 5426 6187 4304 14637 9223 16746 5777 243.073 243.0731@3.2855 6591 8968 243.0731 243.0732@3.686 12684 243.0732 243.0845@2.717 4131 243.0845 243.09@2.7280002 7078 6417 5179 3630 243.09 C13 H17 N5 8246 8454 8248 8965 15510 15726 27168 27650 11628 11204 6890 6389 8229 8015 6808 6686 6195 5596 9575 9329 6175 6042 8762 9339 9973 9574 10058 10051 5419 5288 12316 12406 9318 9469 6159 6027 5716 5926 8343 8956 5577 5476 8196 8562 16750 11814 15002 14355 7730 7743 5669 5532 7340 7591 5680 4914 11989 10920 15324 14389 5322 5702 4048 3904 8097 8026 8666 8605 5397 5489 8740 8638 4481 3991 8499 8386 25943 25967 6639 6303 7320 6481 6475 14419 14218 18924 18387 4365 3988 17216 16318 243.1482 243.1484@6.643 4520 243.1484 243.1681@7.0550003 3216 3349 243.1681 C13 H25 N O3 + 1.3174618 27387 26848 25762 26082 12191 10824 14177 17842 16471 7163 9329 12490 3700 5963 6712 6446 4816 4864 7289 10371 5089 5098 7355 7448 4466 14313 10197 12395 13084 15095 15120 12548 6689 19749 11730 6283 10035 6529 4582 4559 5945 7648 5212 6744 6076 7762 4588 5273 6625 6378 9383 12144 17285 3471 9553 11459 6988 11484 8047 8962 39023 38180 11613 13151 13189 3286 6759 5709 7205 8403 9028 9212 11500 21182 19765 36197 52511 243.184 243.1851@1.2343751 98676 75632 86856 101969 77813 3391 2358 75474 243.1851 C13 H25 N O3 29410 203191 27259 30272 13673 15089 26947 25811 14141 22658 12711 13062 7954 8450 8932 5732 8922 8832 41254 9116 4092 2564 6442 6210 4961 7674 4300 5171 5908 6983 9291 9826 8161 14435 9125 27891 75459 12833 3277 5989 6046 4811 7345 7687 10211 11322 7729 8944 6380 7844 21846 47102 9238 2132 52402 54093 8890 7907 21852 21061 23332 24185 14856 16228 21198 22959 23755 23656 24164 26679 10120 10685 5179 5749 10533 13969 29585 17652 30017 6845 9314 8561 7555 9350 12154 53242 73838 118810 114953 237529 238210 243.1852 C13 H25 N O3 + 1.1859019 205177 29479 139405 141070 66744 43551 51142 53545 9617 102267 50999 46942 44211 42696 44447 46952 48423 45076 9374 43004 66792 69945 32771 33103 24075 26049 26255 29368 29477 76259 77975 7244 75307 19151 83579 12359 73854 28717 27538 50400 50663 46934 42748 47717 32339 29827 45216 53678 58126 35858 33868 6581 10300 9102 41296 40731 43745 52683 61716 63379 61093 63191 44709 43556 67842 51853 48792 61670 53302 40193 57060 56533 192964 192516 83716 64426 83715 38451 38078 30358 36657 40991 53660 11714 23182 21889 63928 65575 65491 65676 243.1854 243.1906@1.2030001 34203 34587 243.1906 243.2071@1.0647142 1231 1395 2051 1971 1653 1434 1490 243.2071 243.2101@1.063 1708 2368 2694 1752 1537 1840 1773 1486 243.2101 243.221@3.9854999 23753 23688 243.221 243.2537@3.9648335 3965 5080 2694 5884 5863 2782 4959 4653 5903 5337 15803 14962 243.2537 243.2583@3.985 2473 243.2583 244.0686@3.5947144 27947 6573 30097 27027 31785 29376 1244 244.0686 244.0693@4.088 16637 244.0693 Uridine 231701 405491 376673 380023 389366 382762 1091209 1104658 380675 377891 463589 460171 476424 472804 274226 261214 324446 323794 305294 305736 268268 260773 301976 302855 283167 286809 366374 368859 240309 237156 404916 403196 256723 254692 272393 274198 284821 280789 440237 431428 336477 342209 222568 217212 331836 340031 242991 242657 277141 282051 308504 308439 224182 233270 256226 253892 290879 290968 814017 844408 326329 325496 312185 310928 218792 217432 294061 296371 238131 233835 437317 442239 239671 238374 279527 276454 468748 476474 203064 207323 416087 432501 438476 346629 354162 571935 573554 357724 359296 443937 424526 HMDB00296 C00299 244.0701 244.0703@3.6048093 19135 21632 13151 17010 5387 6937 12498 8875 5771 5610 12416 12845 18276 17483 11971 9704 15500 8159 9589 8871 7753 244.0703 244.0712@2.3606665 3092 4369 169757 244.0712 3,3,45-Tetrahydroxystilbene + 3.5932326 2836 4177 3974 3548 3195 4072 5371 4610 3977 3514 3756 9038 8623 4033 4326 5313 6681 5318 6500 4432 4049 1803 8572 8274 6040 3092 3332 2795 4307 3458 8409 7713 3568 3862 6457 5654 3707 4414 6819 7070 7632 5652 5509 HMDB04215 244.0714 244.0717@1.61 22414 244.0717 244.0729@2.136 110362 244.0729 3,3,45-Tetrahydroxystilbene 17756 17804 13154 14116 43765 41751 15527 42566 35512 13388 54981 53705 27890 27202 13274 13147 44343 17256 35069 33875 9253 28698 12867 15618 27486 11920 11616 13739 12854 32866 14485 14938 47955 13707 13686 23731 23360 38744 39996 12277 11437 20924 22282 25201 13704 11436 11066 26280 3264 56781 58450 14411 13675 42097 46194 57653 56116 28609 29084 49063 50559 31794 14894 30652 14706 10414 10655 11241 45287 43426 19421 19768 28769 5530 30848 9087 35350 40875 36821 38030 21321 54681 49393 47396 14605 15817 28058 11314 HMDB04215 244.0732 244.0779@1.6368572 8976 3089 2881 14276 13798 9335 3296 244.0779 244.0801@3.5714288 2413 3770 2034 5063 4739 4767 4686 244.0801 244.0858@3.357 3860 244.0858 244.0861@2.5335002 9836 12973 13810 6292 2916 5529 6496 3593 244.0861 D-Biotin 11577 12533 13222 13925 6215 5902 17393 15396 9465 8052 2584 5671 5450 30907 29571 5098 5198 7115 7221 2800 7090 9945 12764 4645 5027 2504 2569 25619 25743 3249 3724 5586 5774 5648 6812 6111 2373 6201 7595 7534 4955 4853 4585 6306 HMDB00030 C00120 244.0861 244.0868@2.5036666 4765 5821 7182 13497 10963 2812 5432 11876 11032 244.0868 244.0889@3.5467277 9504 9126 4302 5790 5119 4607 2638 7710 7951 5920 6529 2359 2811 3803 3575 4391 2355 2901 2775 4097 6190 2330 3823 2165 2300 13443 12297 4834 2612 1844 3099 3653 2939 244.0889 244.0904@1.9806666 3537 4872 4465 244.0904 244.0912@3.566 4506 244.0912 244.1109@1.10475 4494 4465 4923 4877 244.1109 244.122@1.247 3678 3840 4154 3620 244.122 244.1249@1.336 2433 244.1249 244.1325@1.4881499 11357 12826 4495 13197 18442 5925 53699 49952 12146 12959 9977 11207 5744 4673 8632 22124 23045 19736 6464 244.1325 244.1438@5.134 2197 244.1438 244.156@7.5127497 5036 4859 3668 4984 244.156 244.1622@7.524 2234 244.1622 244.1645@6.622667 3554 3460 3060 244.1645 244.1755@5.7440004 1615 1979 2033 2382 244.1755 244.183@1.14725 2180 2968 2351 2260 2344 2324 3203 3171 244.183 244.2022@2.174 1833 6904 244.2022 244.2025@2.1521816 5762 2881 2721 22640 22581 2912 4006 4812 5212 3023 2985 7492 13683 1873 2172 4943 1636 3757 5461 9246 4217 244.2025 244.204@1.085 3206 244.204 244.2111@1.052 2654 15288 4473 2397 3879 4864 244.2111 244.2558@2.15275 5644 7259 3961 4943 244.2558 245.0311@2.986 4971 245.0311 245.0688@2.831 12591 65362 61242 245.0688 245.0731@1.2471112 37181 34619 2916 2313 2742 6987 6402 20093 19229 7866 7641 3561 4414 4334 4561 12688 12670 3405 3502 8646 9551 32653 29938 28999 5287 4885 245.0731 245.0734@7.775 5069 4889 245.0734 245.0735@2.716 12132 245.0735 245.0742@1.30825 3880 5322 2694 1702 245.0742 245.0752@1.207 1299 245.0752 245.0754@2.2116666 42003 36936 38737 245.0754 245.0829@3.61325 7087 8204 4542 4898 245.0829 245.0842@4.078 3695 245.0842 245.1161@3.626 3961 4252 245.1161 245.1587@1.079091 5144 5264 4462 4093 6748 4993 7959 5974 3894 4589 4156 245.1587 245.1624@1.4226667 2509 3825 4169 3163 6179 7493 245.1624 Pinacidil 22159 20016 8834 8447 5753 6043 6039 5877 6617 6742 7374 7802 7448 9215 6257 7868 10759 7047 6916 5900 2879 4765 6761 4746 3282 8015 8159 3552 6209 14709 15082 3814 10172 4688 11063 11190 9495 10512 11154 5509 2357 6036 5604 6550 11521 9599 2739 245.1632 245.1633@6.5694 1794 13022 7629 4121 145078 245.1633 245.164@1.1033334 5781 3040 3044 3310 1797 10881 3510 3213 4836 2926 3044 4013 245.164 Pinacidil + 6.5333734 157184 158715 107912 107819 133670 130940 232254 237845 127132 127010 65527 66169 103018 101099 55240 54575 89132 90287 64577 64162 194281 191970 125551 126185 138560 135548 161194 156674 158646 159478 109403 107246 117224 121009 99384 96845 97528 97911 102228 104504 67191 67563 97503 98992 108323 119853 76548 74920 128515 132897 81406 81301 127117 127815 85916 83854 191067 190114 136931 136958 73059 73876 129455 129006 198688 211807 78861 79078 102050 98791 94290 94886 108018 105636 88663 88286 160289 162518 75921 76868 141118 140165 136472 227159 227226 4330 149728 53736 54314 153187 149566 245.1645 245.1645@1.0827501 5070 4855 5777 8293 8231 2765 2846 3089 245.1645 245.1714@1.2035 9603 6645 245.1714 245.1761@4.2935 54961 54675 245.1761 245.1766@1.2 9112 245.1766 245.1793@4.4414997 16300 17534 245.1793 245.2973@6.534 1755 3565 1986 1739 2085 2860 2676 1727 245.2973 246.0523@5.83 3021 2791 246.0523 246.0546@2.7528124 3877 5442 6514 3672 4673 5117 4321 3700 1963 3513 5062 6636 7015 4762 5957 6194 246.0546 246.0552@2.7415 1673 4687 246.0552 246.0617@2.721 1466 246.0617 246.0794@2.1623335 6657 5051 6323 246.0794 246.0805@0.79918194 4483 4483 3295 4853 2143 1994 6345 6591 4461 6242 13457 12855 10200 9861 3896 2995 12335 11362 4431 4619 2663 2852 3752 3190 2556 2170 5717 8034 5791 4126 3633 3548 7468 7918 10864 7874 3431 2560 3581 2690 3922 2890 23690 23675 3977 6072 6090 3507 3503 2836 7945 7420 3145 3170 8792 10720 14857 13895 14472 2406 2575 3723 4127 8088 9535 246.0805 246.084@1.256 246.084 246.0871@1.7653571 33581 33688 11330 11209 22587 24113 9911 7814 8591 10842 9538 3107 9369 9746 246.0871 DIHYDRO-OBLIQUIN 9157 9355 8811 8864 7600 9928 7043 7594 7523 2282 13776 7802 6827 6174 5949 6558 7354 5080 5041 6158 6018 4778 5568 7277 6402 3609 7001 7007 4312 5934 5740 4412 5369 5263 9378 7069 4984 7044 4919 6331 6233 3585 3580 5271 7760 7172 4999 3784 5256 3851 5928 5955 2812 6210 5255 4207 4081 5939 6203 4173 4519 10243 10021 4100 4750 5182 6342 9631 10058 3933 10077 8116 6599 7042 12686 7724 3155 246.089 246.0909@1.4584545 2512 3300 3420 2942 4189 5767 6339 5121 3963 5636 2724 246.0909 246.0914@1.2729999 2819 4507 6012 246.0914 246.0939@7.4735003 8050 8102 246.0939 246.0947@7.332 5142 246.0947 246.095@7.738 3539 3394 246.095 246.1005@3.0091665 8499 9379 8937 7746 9207 5622 246.1005 246.102@5.1693335 2083 2488 2543 246.102 246.1058@1.28 5104 5982 7071 5800 246.1058 246.1208@2.118 2649 246.1208 246.1218@2.13725 2992 4850 5774 1865 246.1218 246.1222@1.23 3612 246.1222 246.1297@1.164 5237 2731 246.1297 246.1357@5.4463997 9644 11989 6240 6268 7505 246.1357 C14 H18 N2 O2 12502 13126 204107 216550 63163 63804 269149 259156 30677 30070 4556 2680 467832 464520 673418 658283 36263 38284 223904 225740 66082 65656 31508 32260 287400 287313 74154 74507 36506 38559 94726 98917 788268 782519 172991 176596 1049778 1033707 173886 163098 151360 153053 186649 184920 73615 73896 60207 57864 65902 66061 133815 143945 17097 41496 132561 127646 56966 57370 123221 124370 159525 160556 104916 105097 2561 2714 310369 307741 163429 173993 190217 186408 115844 112471 90183 109467 88115 82274 86294 115734 107547 105578 29424 29883 35310 34241 30082 10789 167517 161870 246.1386 246.1404@1.1656667 3106 2453 3417 246.1404 246.1461@1.1712501 9389 9975 5333 12160 9483 9946 8676 5904 246.1461 246.1485@1.4430001 9592 6948 6952 15643 12593 246.1485 246.1486@1.1603333 3891 3257 3636 9086 4283 9755 6022 9503 10398 10119 5753 5103 5480 10919 5784 246.1486 246.157@1.1325556 10551 2349 4053 4408 5088 6391 5129 2555 5327 246.157 246.1652@1.096909 5228 5349 5003 7051 4029 3491 6929 2599 2827 4151 4606 3173 3805 4320 4035 2038 3362 8175 7274 5221 5862 2567 246.1652 246.2173@1.1054616 3505 3838 2644 4949 5554 3528 9774 3108 44829 14842 17416 3709 2920 246.2173 246.2204@1.103 43089 246.2204 246.2283@1.067 4787 246.2283 246.2702@5.411649 2512 4053 10061 10862 3631 3161 4875 4963 2596 1426 1622 1943 2750 1938 5467 5419 2381 2580 2168 2012 246.2702 C4 H13 N3 O3 S3 27874 28223 22320 27023 28905 29617 27349 28203 27793 27956 28706 28681 29488 30208 33230 32078 22949 23628 28641 29072 21976 22254 31958 31624 27404 28089 25043 25945 21141 21582 31640 31448 26794 26742 29300 24564 30022 29101 28196 28834 27520 26850 24895 25773 24471 20038 24293 23648 21811 21335 24410 23991 25428 26389 28868 27661 26758 24810 23468 27519 31576 31557 27792 26228 27950 32639 28342 28184 26461 26561 25274 25495 29215 29321 24423 23538 25501 22599 24481 23022 24195 25734 22865 22308 22323 26043 23682 19822 20326 19075 17223 17442 247.0116 247.0165@0.7749001 73402 87848 301116 308867 47388 46594 45173 44109 82868 83808 5335 4886 90880 91811 14948 15279 15037 191199 188305 247.0165 247.0532@3.0497 4095 4139 8391 8885 8150 8936 5434 5057 11220 11515 247.0532 247.0537@3.446 4995 48313 50017 6631 247.0537 247.0557@3.963 20201 247.0557 247.0818@0.783 2691 247.0818 247.0866@5.1702733 124072 182673 184924 79081 50076 172438 2771 78574 3681 4161 2615 161284 121109 120415 67361 114332 88570 90851 2355 2355 83379 64684 115537 175885 3051 82697 3360 3297 98631 91685 37465 154396 151416 247.0866 247.0875@2.1304998 9426 9169 247.0875 247.0886@0.75215006 7154 7791 6550 6327 4777 8208 8873 12940 14177 4827 4972 6500 11042 11695 7706 4663 3869 6713 6864 247.0886 247.1361@4.367 3366 247.1361 C12 H17 N5 O 7674 5783 3011 10303 11293 12888 13427 7447 7071 7556 7847 9972 11228 4725 5251 15109 14749 16906 18260 3606 3297 15246 13919 10939 10983 8652 8233 2770 3704 10690 10762 3678 4215 3526 4470 6456 6250 9989 9371 7083 6407 3881 4260 11881 12755 6982 6682 5052 4296 6067 6060 8100 9473 24818 23701 9153 9529 12702 11947 8581 10696 4490 3643 5234 5867 5329 4265 9211 9330 10655 11942 4683 4142 4488 4521 18653 19284 7039 7176 11504 10744 10864 7790 7979 13154 13053 23724 22131 8710 7973 247.1434 247.1507@0.7705 2876 2161 247.1507 247.1728@1.141 3072 247.1728 247.1764@1.1360714 2683 9249 7542 5946 3888 2839 7707 2277 7659 4611 8766 8677 2524 5793 247.1764 247.2715@5.4182005 1839 1895 1788 1497 2867 247.2715 248.0271@5.6035004 3502 3516 248.0271 248.0518@0.76925004 1742 2535 4300 1651 248.0518 C10 H8 N4 O4 16547 16280 19020 11135 11450 13835 13600 14075 13778 14322 11956 11171 15330 14696 16333 17574 15098 16392 15765 15256 15128 14451 16225 16129 16186 20414 10216 9323 11302 248.0538 248.0711@1.31 2347 248.0711 248.0809@0.799 2931 248.0809 248.086@0.797 2178 248.086 248.0917@0.79700005 2248 248.0917 248.0918@1.64275 75154 70374 3475 10207 248.0918 248.0958@7.4745 2806 2750 248.0958 248.096@1.629 11046 248.096 C13 H16 N2 O S 6597 6307 3568 3066 2990 2033 5809 5126 12805 12174 9556 9066 4190 3832 9501 9203 2277 3871 3305 3634 3848 2078 8306 7645 5820 5965 5499 5063 8011 8784 10844 10003 1783 2700 3319 2538 3678 3776 20103 20546 2479 2222 7727 7325 5202 6216 4483 5218 1946 1860 7101 7051 5476 4970 8794 10654 10112 11095 9325 2278 2644 6210 6197 248.099 248.1023@4.198 4169 248.1023 248.1029@0.8 2441 2155 1572 248.1029 248.1074@4.182 3823 1893 248.1074 248.1184@3.763 6296 5478 248.1184 248.1364@1.143 14810 35051 30227 6405 248.1364 248.1438@3.839 3942 248.1438 248.1439@0.7991111 2655 4111 2064 2193 2925 2930 2731 3161 2592 248.1439 248.144@3.9096668 4019 10265 1525 248.144 248.149@0.668 3809 248.149 248.1497@2.743 3737 248.1497 248.1502@2.8165002 1477 6534 5626 7387 248.1502 248.1525@1.309 3780 248.1525 248.1535@1.1228571 10067 7618 2493 3035 2476 1737 1974 248.1535 248.1588@1.1994545 1731 1546 1987 2855 3310 3349 1796 2358 1712 4008 248.1588 248.1604@1.182826 8418 3305 1916 6446 2300 11844 6010 3823 3655 2806 2258 2298 5949 3922 3688 2477 2048 2089 2190 5860 7545 10526 9218 248.1604 248.1713@1.12028 8438 11074 13526 13658 24811 18602 24179 24366 7349 18271 17777 21359 20909 12063 14065 3302 11256 9356 17288 27872 4531 17937 21990 11640 7146 248.1713 248.1724@1.075 3488 248.1724 4,7,10,13-hexadecatetraenoic acid 26330 20177 38547 38236 4309 24205 29910 21255 24141 39285 31410 31052 30777 44489 35032 29471 28570 47919 46926 19913 19007 23549 17619 29899 33773 8640 28807 32571 20114 17591 50142 51333 18888 18966 24358 24961 3035 19106 30977 34001 25991 28799 26320 27891 37601 39051 34508 32442 36036 30287 55127 55197 34860 36068 22380 26789 29658 23555 8316 36768 23297 26767 19519 43920 52519 35952 34110 248.1762 248.2344@4.030143 4522 8744 9544 3732 2603 5710 2653 2989 2650 3514 4673 4182 2258 3581 4053 2472 3079 3626 2921 1863 2362 6236 8714 2015 3512 3049 2164 18571 5197 4132 9208 2475 5889 1794 8637 248.2344 248.2878@4.0224447 2837 2898 2411 3613 2749 7051 2294 3327 3042 248.2878 249.0099@5.5982275 2988 3623 3225 3299 3219 3255 3292 3109 3195 3111 3071 3306 3126 3564 3046 2920 2996 3202 2804 2737 2790 2369 249.0099 249.0648@2.8181667 7425 22336 6009 5051 34938 35088 249.0648 249.0663@2.842 6553 249.0663 249.1129@1.0425 16246 15792 249.1129 249.1456@1.108 1713 249.1456 249.1687@1.2226001 3835 2697 3084 3389 2584 249.1687 N,O-Didesmethylvenlafaxine 34357 63774 49107 47394 25882 24281 19632 20561 33822 34642 15348 13145 19395 19105 26856 25094 16749 17515 14071 35453 34587 12926 13669 18988 12288 10397 13124 12281 70348 75290 22164 20086 21104 21127 16140 14127 24062 23999 14769 15108 10539 10425 21781 22102 12154 11583 24788 24577 23050 21486 25028 26691 11388 13447 31253 28402 20395 17105 11921 11745 18136 20503 8470 9561 11815 11014 27211 25504 42775 40724 39046 91433 37401 29693 29002 18436 15791 15967 25370 23876 26909 24120 120876 121093 123169 120306 249.1716 249.1721@1.2210001 4884 2386 2253 249.1721 249.1738@4.364 15289 16943 249.1738 249.1747@4.4445 249324 257746 249.1747 249.3062@4.444 3257 249.3062 250.0509@2.684 253771 255693 250.0509 250.0834@2.1545 8081 8331 250.0834 250.0887@2.161 4033 250.0887 250.0986@3.5206668 4731 9220 6465 250.0986 250.1024@3.9335 4774 5163 250.1024 250.1143@1.24125 5518 4469 4356 6429 250.1143 250.1185@4.075 3736 250.1185 250.1208@1.29925 3815 3337 2254 5357 2051 2633 7369 250.1208 250.1213@6.1365004 3627 3592 250.1213 Ubiquinone 13358 14418 6873 3522 6045 6755 8792 12010 5800 5005 8513 2565 3810 6892 13391 13478 7981 7920 6071 3723 3169 2472 4870 5706 13696 8119 2230 2112 10142 13730 3212 7431 2913 4818 3080 6580 4219 5132 5773 4194 11981 11423 2405 1662 16361 13332 10099 3108 10535 4855 11338 12511 5262 4651 2038 16211 3912 2670 13165 7214 6565 5893 9157 2644 6748 HMDB02012 C00399 250.1224 Ubiquinone + 1.1367501 32195 32991 11961 71249 72241 18570 18155 37035 38480 36104 40044 15315 33302 32904 16676 19077 18191 14235 56393 55114 26641 28566 21112 32493 34526 22979 22961 22693 10587 22416 21019 22647 36623 36568 23094 27472 24568 25806 27859 31395 30282 28998 26511 27992 30200 55392 56853 14575 13996 42548 42476 HMDB02012 C00399 250.1226 250.123@1.1348975 12773 12588 10098 17925 19167 15045 15489 15606 9941 9241 5732 9751 11966 16779 22819 22864 2223 5959 14531 21824 9495 21554 17695 16930 10721 24007 27129 26758 22961 22440 14492 13996 12914 13404 12975 12578 10824 13123 27091 250.123 250.1249@1.5517857 3366 7234 11492 5469 6005 3706 5686 8544 3857 3127 5172 12517 30041 250.1249 250.1433@5.8925 4566 4632 250.1433 250.1579@2.9155002 17226 49542 250.1579 250.158@2.999 66011 9987 250.158 250.1583@1.263 2008 250.1583 250.1687@4.418 43970 45594 250.1687 250.1731@1.231 7678 250.1731 C12 H26 O5 25395 27847 25933 26568 20307 17232 20146 22518 18301 26430 23112 20943 17376 33901 32394 21966 20472 20719 24398 27375 24965 21122 27873 16433 20261 18289 17108 29198 23858 17136 20006 20834 29015 15815 14495 19036 16051 25439 23428 19610 25146 19219 13427 20518 25926 22626 22470 22481 29448 20028 23241 31104 30348 28782 29813 19766 19893 24641 20982 15793 19485 17864 18761 16742 16021 16534 15712 30395 25106 22502 28863 29797 22132 27141 24452 23931 20220 26047 25736 25585 31756 29933 20022 23344 250.178 6,9,12-hexadecatrienoic acid 141429 135777 15346 146991 92976 102985 74525 26557 62618 58737 35838 79949 40601 115276 35655 36083 229559 305134 42349 41301 79157 70946 20015 62650 333597 68510 292620 7842 67197 68044 85899 272479 41546 42674 20883 56134 37495 39772 19472 21844 73443 35397 14885 152534 256326 83565 225725 215658 48368 7986 143866 135009 45347 24261 63659 26105 85507 235306 34469 34988 26638 63855 35103 201782 78069 291115 34740 35900 53604 136480 99764 47131 174465 32498 29318 28841 34673 14304 76577 36054 35228 24418 85592 22273 40895 230752 34969 69781 38287 17920 36182 12217 250.1943 250.1947@1.089 9321 41998 40177 26212 30433 73772 250.1947 251.0279@1.5044614 151840 59842 58483 66121 77895 77707 62876 63625 68460 81976 101340 2798 251.0279 251.0284@0.752 2685 251.0284 251.1191@1.776 4110 5841 6166 5364 6223 7165 251.1191 251.1272@1.251 10746 3403 4570 251.1272 C11 H17 N5 O2 16693 17060 18319 17414 16739 18470 16037 16272 17571 18227 16235 15235 14173 15685 14740 13413 16202 14932 15518 17230 15533 15613 16774 15050 13947 15028 13839 14427 13318 13015 18228 16654 19492 17493 19023 17271 17685 16207 17458 17672 14351 15850 14477 14537 16502 16156 15875 16924 15586 16877 14809 14810 14714 15378 13955 15157 13978 13614 11798 14005 16193 15800 18178 16982 17061 17512 16324 16217 16941 16442 14273 17101 17056 13453 14172 15961 14684 21771 15157 14037 13675 13006 14368 12944 12184 12348 12270 12468 13791 11483 12000 251.1384 251.1391@1.1810001 6167 1970 1943 251.1391 251.1427@4.6605 35398 35211 59843 57815 251.1427 C9 H21 N3 O5 11969 7590 5927 4772 9875 5891 6028 7206 7377 16747 18689 5243 5443 8230 8372 5074 3625 12061 4925 5533 4820 3295 3343 3226 2754 5421 6563 3700 4423 4380 3865 4259 4453 6195 4897 4598 3255 4172 3453 6191 8084 2883 3916 2689 4563 4878 3595 19334 11986 251.1496 251.1507@1.2913752 3523 6733 3338 5397 3460 4199 13421 5521 10657 3068 5178 1858 14545 2287 5035 5239 251.1507 251.1602@2.938 10016 251.1602 251.1613@1.217 3363 251.1613 251.1688@1.2097143 5594 8745 3726 3763 5000 5124 1685 3597 3644 3010 3536 3609 2662 1570 4941 3473 2799 3892 2415 6910 4615 251.1688 251.194@1.118 3424 251.194 251.2225@1.256 1542 251.2225 251.2251@1.2021667 37846 40287 14720 16949 32509 33205 251.2251 252.0417@1.146 4008 5120 252.0417 252.0598@5.8187404 1155 1371 1399 1188 7259 6824 1774 1751 2023 2510 1321 1821 1766 1280 1386 1287 1609 1569 1334 1122 1288 2706 2582 1536 1143 1738 1648 252.0598 252.078@0.71449995 2249 1865 252.078 252.082@1.1063333 8410 3325 3353 252.082 252.0932@1.1455 2467 2711 252.0932 252.1009@2.7085 2025 5515 252.1009 252.1116@6.298 2992 2764 252.1116 252.1181@4.1914997 823839 830215 252.1181 252.122@2.1565716 17787 7926 13658 12202 6843 4421 10346 252.122 252.1224@5.892 3693 252.1224 Pro His 10589 11503 10093 11282 10635 5703 8787 9192 11434 12555 9710 10589 8807 8828 10422 9393 9664 5276 11625 12952 10379 9319 12481 6259 9655 11088 6852 9694 13081 5680 437110 427833 23393 21843 81107 84697 5166 5944 9698 11049 9255 7902 22427 24101 10821 11179 10789 10823 9827 9627 9230 9551 11819 10503 12344 12817 6218 9729 10475 11051 9201 5161 9914 19572 19741 11899 12777 8496 11588 10263 9921 10518 12657 9131 51664 52959 9702 9638 11146 5443 11061 12874 12296 11367 9737 252.1225 252.123@2.346 12581 252.123 252.1256@1.095 2267 5617 5782 3071 2649 252.1256 252.1357@1.14 5022 7246 5910 252.1357 252.1361@1.39 3419 252.1361 252.1366@1.3321251 4889 16335 6341 14196 16325 4047 3494 6354 3412 2292 8201 5046 4560 8089 6302 252.1366 252.1414@1.1473479 5910 3752 8625 10027 3552 4202 5947 8023 3939 2793 5760 4794 8018 7402 12855 5630 5415 4049 2637 3431 2511 3307 252.1414 252.1505@1.2 2264 3653 252.1505 252.1896@0.9125 3398 2656 6031 5626 3530 2684 4030 4739 252.1896 252.1986@1.1258571 6804 3097 5741 2461 2865 3515 252.1986 252.2049@1.1053792 9597 4869 3852 5676 10917 26233 12867 6439 3944 4477 3893 2648 3326 3036 5200 6035 3373 5274 5679 4639 4472 4961 7497 2813 4496 1442 5010 26721 4394 252.2049 252.2155@1.1122501 3214 3725 6874 14263 252.2155 252.2167@1.06 21102 252.2167 252.2172@1.072554 10312 6516 10431 5444 14201 21046 14449 5793 32337 32815 9429 6757 15777 4677 7287 19198 40139 5283 5683 24381 14556 20056 14561 7947 31991 8786 10871 11503 18648 5394 5823 14979 7620 10073 20903 22533 5672 5674 12193 10398 5676 11703 28721 9601 17535 12738 9030 24063 3770 6488 13260 4310 14936 11807 5176 13011 7329 5111 9198 11937 15896 13212 11781 7876 252.2172 252.2198@1.0559715 24649 14671 17466 17698 25681 29075 16816 33594 5906 6646 6232 25511 28579 23878 5378 6938 10833 27454 32238 23415 25138 4865 25710 36611 24822 10823 7936 31290 22684 11772 19878 30484 12734 8267 5121 252.2198 252.2268@1.0616666 26661 9011 43259 252.2268 253.0031@0.855 27047 41695 12763 26003 6755 20569 253.0031 253.088@3.6880002 83466 82939 19684 18453 253.088 253.0888@1.0957501 38032 36757 12033 11376 253.0888 253.0922@1.2665 3338 2571 253.0922 253.1092@3.8485 11466 11216 697210 711158 253.1092 253.1331@1.246 838887 841067 11261 3811 7687 253.1331 253.1332@5.317591 8496 8867 10293 10420 6961 6935 22143 21358 5413 4658 9957 10417 7658 7756 3315 2992 6385 6355 6698 5319 16855 16855 253.1332 253.1377@1.3195 5333 5617 253.1377 253.1553@6.0639496 2515 2729 4638 4563 5114 5975 13802 13335 3078 3394 2487 2399 12909 12669 8300 6426 7350 8127 5935 6681 253.1553 253.1571@1.168 4792 253.1571 253.1659@1.638 6727 253.1659 253.1663@1.028 7057 253.1663 253.169@4.489 6985 6453 253.169 253.1724@1.1015 10879 5751 253.1724 253.1763@1.1415 17333 5640 253.1763 253.1791@1.198 14823 253.1791 253.1944@1.1931667 2940 11922 3799 3606 5920 1692 253.1944 253.1979@1.198 1663 2972 253.1979 253.2026@1.1807499 5408 5721 4196 1705 12277 10634 3407 4359 6011 9175 10039 10355 253.2026 253.2063@1.0973572 4611 4997 4066 3345 3875 3888 4090 6236 6522 4320 4262 5128 4462 2599 5803 4317 5589 5573 3702 4371 4301 3645 4819 4038 8721 8405 8487 8308 253.2063 253.2118@1.0884001 3586 5844 7314 4047 6551 253.2118 253.2199@1.0830001 4168 2072 3702 253.2199 253.2411@3.843 15152 15101 253.2411 253.2415@1.1263334 35272 33368 12099 13486 17752 17417 253.2415 253.2961@3.8435001 5950 4634 253.2961 254.0589@0.729 11212 10791 254.0589 254.1245@1.238 4463 254.1245 254.1307@1.1620001 19980 11949 3728 254.1307 254.1417@3.994 1807 254.1417 254.1442@1.15 6749 254.1442 254.1525@6.0008 3373 3737 2445 2287 2554 2562 2522 2489 2868 2648 254.1525 254.1527@1.232 30793 23130 10765 20319 5745 254.1527 C15 H18 N4 2741 3260 3533 3244 2346 27738 45451 34387 2504 2721 2663 4374 3198 2927 76536 74175 3982 5830 7169 3757 2286 2938 6166 5507 5648 5342 26621 4429 2866 72042 3244 2892 3407 2186 2870 4788 4033 171810 161371 2795 2867 3076 2898 81138 84426 12798 2327 5821 6186 25552 4242 3901 3760 2170 27957 4166 3282 106325 4681 4471 4808 162409 5858 170938 168846 162619 162182 4654 2711 1822 86680 3199 3209 8608 7708 2699 3289 4244 254.1533 C15 H18 N4 + 1.1269575 127299 131025 34474 34308 27894 51340 35024 34041 33590 32453 35093 52724 52990 49498 50000 50477 54009 28456 27514 21186 25340 30524 30936 28199 34218 37471 69884 79991 74019 34772 37615 108349 102402 30347 30907 26206 18993 9315 41145 41298 24600 33608 31552 30317 30394 32041 52202 58253 96321 112430 120247 163305 35854 33042 87665 36830 32251 38455 40645 111406 110910 107659 29383 34079 27964 18259 47141 43116 25561 25101 254.1535 254.1602@1.074 3496 254.1602 254.1871@1.1936667 4652 6702 3583 254.1871 254.1954@1.1923333 2994 4724 4327 254.1954 254.1972@1.19 2190 254.1972 254.203@1.172 3805 254.203 254.2044@0.9310689 2352 9988 7377 6480 4116 3732 2888 2301 4390 5848 5236 2455 2927 16478 15034 7425 6884 3309 2860 4644 2191 9859 9178 2134 8964 9156 4007 4313 2903 254.2044 C19 H26 3463 6779 7933 3825 4083 10387 2881 2459 2460 2363 1957 20344 20992 5333 9807 3961 3150 8098 8079 4702 4423 4098 2492 4759 5571 2562 2489 4642 3692 8008 8671 2348 2163 4218 1464 5167 3417 4527 3040 10350 2695 3637 3339 2534 2755 2290 9289 4059 6458 6228 6228 8774 7336 3070 3257 1745 3210 254.2051 254.2121@1.0875 2340 3807 3343 2425 254.2121 254.2173@1.0929999 2470 2193 254.2173 254.219@1.0554999 3817 3367 3415 4183 5420 2939 254.219 254.2223@1.0455834 3938 7869 11004 5629 6126 6475 4872 4674 5400 2220 1713 4777 4793 7063 7174 10574 5129 6538 12827 11536 9458 2490 4467 254.2223 254.2282@1.07525 14385 9557 44506 10848 254.2282 254.2366@1.0864999 27587 29370 254.2366 255.05@5.798 2983 255.05 255.0867@1.097 3662 3034 255.0867 255.1025@1.255 1927 255.1025 255.1056@3.8405 9802425 9893861 4469854 4551621 255.1056 255.1059@1.2260001 4768 5226 5113 2808 255.1059 255.1133@6.713911 9250 8865 9433 9714 7457 8299 1713 3141 2801 2649 3207 2694 3676 3278 5428 5626 1990 6239 7627 4974 3912 2509 2221 2727 5138 4905 9312 9002 2268 1682 8945 9165 2788 2201 255.1133 255.1587@6.661 8348 255.1587 255.1626@2.035 7386 255.1626 255.1646@4.0695715 60415 90854 115453 258834 251207 390838 391338 255.1646 255.1656@4.0846667 71482 13665 19876 5016 5700 12852 255.1656 255.1663@1.1693333 15881 2878 3954 255.1663 255.1684@2.1783333 44825 41291 23200 255.1684 255.1686@2.0912728 19614 8536 21951 43871 18971 27267 52001 86765 26178 10203 8592 56628 9387 13217 8764 40925 28133 16579 31827 53766 4895 11378 255.1686 255.1687@1.6893334 9844 18066 3343 255.1687 255.1689@0.7625714 16078 6347 12473 3969 5982 5001 25348 255.1689 255.169@3.539 4258 255.169 255.1693@0.8748 18804 5435 8119 11045 30203 255.1693 255.1694@2.807 10591 255.1694 255.1697@1.2212499 3930 10032 10540 16172 14606 19671 16407 3357 255.1697 255.1701@0.9345 8028 10848 255.1701 255.2028@1.164 8606 255.2028 255.2057@1.1649 21350 13143 16873 10123 13809 9044 16005 13452 17315 14318 255.2057 255.2133@1.1651304 13466 11651 8529 7655 7526 13412 8705 6373 6235 4947 6948 9438 8065 10259 9132 7154 7532 6452 7052 26774 22618 41890 29744 255.2133 255.2368@1.091 2368 255.2368 255.2568@1.1233333 26797 27262 5391 6384 12069 12535 255.2568 255.2882@4.058 12575 255.2882 C17 H37 N 2918 2732 3978 5814 2743 10266 5495 7649 2916 2357 6404 9520 4603 3277 2988 9085 2406 2538 2838 1673 7387 3376 10673 2939 4178 12193 3725 2410 5092 3057 1919 6200 7838 13874 1926 2175 5743 2603 7713 3752 3844 3885 3374 6928 7526 7470 6345 3700 4749 3476 3926 7512 12768 6279 255.2933 255.2936@4.111666 6373 2356 2406 255.2936 255.2937@4.177583 5210 1939 2608 3897 6179 6824 8381 10622 4698 3480 2545 10836 3089 1867 9295 9961 6116 8724 5965 11472 2601 2232 6350 6529 255.2937 255.8607@3.821 1925 255.8607 255.9321@3.831 7711 255.9321 255.9511@3.865 5003 255.9511 256.0442@2.4682221 10988 7161 7534 17365 6549 5620 4476 8141 6035 5549 5029 6583 4774 6508 6594 5109 5143 5779 256.0442 N1,N4-Diacetylsulfanilamide 8354 8136 6309 5930 16877 14794 8825 8684 4957 4488 4476 4255 26237 25966 3757 4137 4582 4335 5689 5053 9230 4924 16887 18118 7729 7498 24304 24303 3651 18587 18727 17997 21098 4732 5574 6734 6665 20680 20413 20666 20336 8307 8150 14367 15728 20875 19459 17260 17224 7143 6974 5014 5097 2682 6048 6018 5653 16772 17613 15561 15221 21930 22841 23595 22394 256.0524 256.0695@3.476 12333 256.0695 256.0703@2.973 1792 256.0703 256.0721@2.9549997 4539 3601 3491 4020 3521 2567 3182 5995 3865 2881 3280 3847 3061 4088 3509 2673 5737 3692 4162 4391 3184 2604 2203 3275 2260 4266 4124 4383 3194 256.0721 256.0842@2.873 9694 256.0842 256.086@1.452 16698 28986 256.086 256.0936@1.337 8811 256.0936 C6 H12 N10 S 4187 10592 6073 5716 4212 4564 8369 8562 13773 12314 10489 7386 8669 3502 9606 8810 30887 30481 3458 6401 7278 10366 8981 5497 3963 3690 4600 7244 7285 5058 4901 2615 10583 5255 3940 256.0946 256.0971@1.556 20246 23019 256.0971 256.1059@2.832375 10231 4791 3988 11339 2533 3569 8716 3129 256.1059 256.106@3.135 3970 256.106 256.1071@8.5695 7127 7127 256.1071 5-Ethyl-5-(1-methyl-3-carboxypropyl)barbituric acid 52365 54184 39582 42795 35438 22750 126653 136762 40405 40351 39996 43517 41812 44202 33150 33017 33431 31749 26156 31570 27394 28010 31649 31336 44746 45158 36730 38090 23412 23251 37989 42743 25094 27299 33448 32667 32367 35031 44777 44354 35163 33618 21097 22104 31398 34683 25283 25878 39464 38801 32132 30125 25112 25194 24938 25502 33086 33350 68489 70396 31978 33382 34695 33880 14450 27391 29285 31971 26879 26233 46715 50201 26415 24178 30182 28873 66216 5185 63562 26342 27582 54588 53900 53969 31159 31960 60077 54608 44113 41731 43649 41096 256.1072 256.1074@2.7396 5356 4727 6470 7660 5915 8732 8403 6150 11921 7008 256.1074 256.1212@1.642 8698 4385 44907 49187 256.1212 256.1264@4.96625 27512 26034 11635 11606 256.1264 256.127@5.0845003 14218 12820 9425 7707 256.127 256.1299@1.625 3716 256.1299 256.1419@6.652 3549 256.1419 256.1464@5.0477147 10658 11322 2743 2846 2770 2380 2556 256.1464 256.1477@5.989857 3599 3777 3412 3405 5373 4667 5012 256.1477 256.1494@1.23 5228 3872 256.1494 256.1516@5.989333 3019 4761 3172 2892 3173 3724 4952 2634 2868 256.1516 256.1596@4.5625 35446 34622 256.1596 256.1598@1.232 3183 8776 3586 6385 256.1598 256.1624@5.9810004 5272 2742 4753 4601 5516 3867 5136 5280 256.1624 256.1634@1.2217858 6196 4339 12906 6425 6325 8972 2005 6258 11067 8611 7720 7303 11147 256.1634 256.1662@1.3706666 3359 3436 7406 256.1662 256.1673@3.0881598 2488 4142 2747 4044 1920 4170 3604 2785 2978 4626 3688 2807 2151 2018 4521 2266 4623 3726 5812 2668 2563 2689 3028 2252 5697 256.1673 256.1678@1.1445 7227 3055 256.1678 256.1684@5.9727497 4272 4039 4992 6944 6630 3062 2255 2582 4263 2305 2349 3900 256.1684 256.1702@1.1545715 2350 3343 5262 9661 3693 6167 6580 9032 8096 2679 3721 5649 3369 2280 4669 4353 5896 7187 5793 6168 7776 6030 3765 7010 2789 5196 3162 5607 256.1702 256.171@3.4073334 7934 1726 5100 1703 1520 2752 7746 1830 2617 5441 2255 5812 256.171 256.1712@3.648 3134 2061 1528 256.1712 256.1714@1.382 2043 256.1714 256.1718@2.8396666 2052 8037 3788 256.1718 256.1742@1.1470001 4566 4790 256.1742 256.1754@2.136 7420 256.1754 256.1957@1.334 2511 256.1957 256.2035@1.3271667 3310 4109 4418 4127 4485 1773 256.2035 256.213@1.3231499 14812 14586 6244 3470 2475 2502 11020 12090 7646 8054 10200 10258 7730 8496 9089 9434 5690 7890 7762 7975 256.213 256.2186@5.219 2689 3921 256.2186 256.2353@1.0799999 2256 2078 256.2353 14-methyl-1-hexadecanol 3995 4441 5473 5388 4446 3747 12436 12532 2669 1656 5621 6089 5349 4586 6729 6074 9631 8560 12311 11724 4592 4886 5032 6958 11039 8736 6539 5200 3352 5607 4774 7510 7835 8328 8263 4007 3015 6627 5486 8267 6865 6335 5501 6082 6533 4352 4212 3216 5821 4762 8220 7721 7610 7508 5609 4643 4358 4123 3963 4141 7422 5936 11177 9932 4088 5371 6011 7076 7005 8760 7247 3946 9303 9404 LMFA05000009 256.2769 256.297@3.8355 9107 7004 256.297 256.821@3.872 1818 256.821 256.8453@3.825 2486 256.8453 256.9752@0.899 6837 256.9752 257.0318@2.7996 4670 3648 3996 4603 2666 257.0318 257.1011@3.453 26655 1648 257.1011 Benserazide 23830 23088 24249 24100 17392 16334 23499 23738 29916 27682 18153 20689 32172 32560 24800 25424 26513 26916 8704 13149 22021 22513 21243 21126 21218 20860 25362 23950 24442 24703 17676 25569 23014 23740 19093 30830 20590 19699 19315 16867 23362 23810 19586 20871 30210 30608 29127 29844 18553 19936 37155 37751 17697 17950 19905 18520 16983 14765 27832 29375 15655 16234 21135 20507 13216 14912 20239 22705 16382 21868 28747 28863 22576 21250 18749 24979 23255 17887 22026 23234 32884 29805 3846 30045 30932 30381 29043 13212 12315 40166 36468 257.1026 257.1045@8.723 3041 3402 2973 2186 3238 3218 3293 4017 257.1045 257.1146@1.562 3577 257.1146 257.1184@4.067 40938 39399 31758 32762 257.1184 257.1222@2.715 3033 257.1222 257.1224@1.5735 8159 2620 257.1224 257.1225@1.11175 5249 5697 5430 5254 257.1225 257.1312@1.08 2179 257.1312 257.1565@1.218 3256 257.1565 257.1639@6.4482503 4608 6790 6678 5367 6807 3136 6255 5472 2892 4373 4045 8934 8442 2166 10506 3597 4650 8293 3805 3430 4846 5761 3156 3234 257.1639 C14 H19 N5 27519 28740 4222 9010 8524 15258 8121 6213 5528 6323 6388 11796 12015 9318 3142 10598 11452 2765 4614 41242 48505 3409 5683 22515 22043 5870 6055 3427 3147 14187 14102 4124 4023 31862 29395 2035 4750 26631 29242 4494 3064 18061 7312 6662 5648 12063 11580 2036 3473 34918 36675 2682 7444 10450 2676 8174 3014 4629 4439 10878 12785 3925 3821 4929 4766 5032 9770 9037 9050 9106 9555 9289 2879 3039 257.1641 257.1669@6.5045996 1592 41238 40544 56249 4060 257.1669 257.1791@4.4135 11978 11051 257.1791 257.18@1.198 2361 257.18 257.1934@1.1928236 4208 3383 4612 5268 6437 1873 1994 2041 4470 22623 12881 13221 3682 4539 4855 4850 5427 6136 4332 3982 3757 2488 4652 4430 2759 4344 4324 3679 4389 5051 4402 6311 4260 6681 257.1934 257.1995@1.1935998 6780 7645 9296 3243 2691 4041 5062 2645 5039 4021 10353 10968 5601 10831 10234 257.1995 257.2071@1.179 4786 2805 257.2071 257.221@1.191 1967 2281 257.221 257.2278@1.174 4364 3955 257.2278 257.2732@3.9465551 40553 42026 7146 7169 4549 4004 13946 14158 4150 257.2732 C5 H4 Cl2 N2 S3 6759 6797 7426 6219 6485 7300 6450 7505 7308 8959 2490 3386 6798 7013 7915 2635 6870 2531 6746 2985 2991 2855 3356 6677 3513 2962 3376 2757 2854 6718 6485 7138 6096 7048 3297 3024 3231 10765 7204 7046 2704 7037 7368 2489 3299 3215 2704 2385 2148 3548 7187 3209 3462 7153 6695 6389 7361 8048 3299 3252 3145 2896 3555 9279 9772 5807 2776 3340 2526 6873 2618 3003 2360 2617 2483 257.8921 C3 H3 Cl N4 S4 2071 2526 3050 2547 3637 2335 1982 7531 6028 2259 7389 6971 3437 7233 6817 6569 7313 3062 6459 6886 9890 6144 6906 7683 3228 3344 2972 3411 7684 6958 7132 3002 2927 6925 6790 6413 6046 6400 7200 6937 6898 2666 6361 6451 9420 6784 9348 6452 6608 3351 3904 3515 2931 8552 6508 7493 6607 5708 6370 6732 3217 5751 9791 10769 5842 7255 2015 7344 7624 9812 6579 7029 7263 6658 7211 6204 6189 257.8925 258.0323@0.73749995 24482 23489 258.0323 258.0732@3.5105 20194 19166 43782 43686 258.0732 258.0802@1.987 10263 11349 3638 258.0802 258.0871@1.587 7839 2796 9988 258.0871 258.088@1.1528 2642 233112 228667 4076 4080 258.088 258.0882@1.544923 10027 10773 5638 11242 13212 8820 11478 12793 7163 6455 7228 7360 14147 9536 7725 4716 11624 12159 9576 10971 6106 5738 5102 6504 8791 9737 258.0882 258.0908@1.6796 4649 4666 4439 8625 3621 258.0908 258.0919@1.62 7418 258.0919 258.0982@1.266 2488 258.0982 258.11@6.238333 28752 9329 8909 258.11 258.1421@1.21 2685 3510 4516 2656 258.1421 258.1433@1.207 3566 258.1433 258.1484@1.2842 9683 9329 3197 3357 6026 258.1484 258.1596@3.1995 8465 7595 258.1596 258.1735@1.1015 4255 5932 258.1735 258.1795@1.2030001 6302 12400 258.1795 C15 H22 N4 10612 17499 7297 23039 5745 4718 5922 5934 7402 4827 6476 6373 5390 7883 6662 5979 10196 12407 6625 8732 6037 6956 8249 3979 3154 3332 6945 3480 2629 5943 3351 3942 5177 3977 6708 7120 5914 2900 6384 6632 7157 4671 5130 15436 4850 6711 5321 5975 3647 3915 3864 5981 5093 5881 3149 3659 2597 258.1859 258.187@1.1114999 5946 4460 6791 3885 258.187 258.1927@1.153 4170 3785 258.1927 258.2404@3.83 5078 258.2404 258.2416@3.862 4580 258.2416 258.2557@0.7995 11357 14831 258.2557 258.2942@3.84 3677 258.2942 259.0174@0.867 8635 9949 5353 15317 15563 259.0174 259.0524@0.9083125 17896 18684 2723 3342 3172 2950 95232 93830 2871 2757 5618 5793 5350 4889 2505 2346 259.0524 259.0538@1.885 18153 20337 21357 21394 259.0538 C7 H17 N O7 S 3179 3058 5142 4928 2920 2905 3170 3162 3399 3904 3531 3631 6328 6083 3841 4556 2886 3136 3282 5308 4784 3835 3557 2766 2502 5175 4729 2461 2840 2868 4421 4714 7152 7801 3041 2818 2353 2587 2539 6003 6140 3427 3134 2761 2976 3058 5715 5033 3456 3381 259.0729 259.1439@7.16762 7961 8196 2410 4975 4369 5220 4742 7365 8219 5592 5113 4453 4993 2945 3448 5132 5075 7016 6870 6038 5644 4175 3745 2514 2439 2267 3320 3535 8424 9184 2893 3263 3953 4201 2856 3327 63697 61527 4067 3472 6263 6530 4324 4144 2006 2763 2725 3623 3616 3045 3419 2937 3304 3109 2562 3120 3157 3048 3068 3241 9689 9541 2686 2633 2559 2359 259.1439 259.1625@1.4723749 4100 3769 4850 2639 3760 3803 3404 2733 259.1625 L-Glutamic acid dibutyl ester 192694 199709 69291 69507 114559 116325 173635 180898 123640 122963 106345 108567 100226 100596 38305 39031 76122 73951 316578 322335 69242 68129 68733 112005 103822 102926 72107 71720 44745 43867 167301 168890 83600 84512 62414 63827 49522 47569 140067 148077 48848 49442 66562 66332 90870 94849 56452 57671 43696 43933 82387 79968 94753 94425 114100 112647 65419 66322 124232 125559 88702 90382 75043 76976 72595 72742 49339 51263 97310 95639 115968 116957 52815 54754 59150 58367 161085 162216 66554 67374 125602 125923 125358 216004 215229 115874 111171 98136 99347 51804 53229 259.18 259.18@6.4223332 6887 44041 10782 259.18 259.1813@1.1340002 4935 4523 2764 2902 2738 2202 4449 14462 9404 3914 9294 2843 8884 8881 259.1813 259.1876@1.1439999 3093 2727 5696 259.1876 259.1921@4.294 100473 101102 259.1921 259.1932@1.139 2850 3059 259.1932 259.2525@4.266077 7330 6574 14219 14066 19879 19666 8676 9130 17158 17105 14016 11850 14099 259.2525 259.3161@6.36425 5237 3628 1984 2183 259.3161 260.0502@1.1240001 2306 2213 260.0502 260.0938@2.8547146 11785 14912 10522 12376 13730 62816 61653 5252 5303 9897 8989 6605 7047 4075 260.0938 260.0952@2.36225 12391 22573 41388 38068 260.0952 260.0977@2.3631876 8607 10385 11056 12758 15928 2209 26376 21371 17809 12118 9373 8465 6811 9845 10406 5685 260.0977 260.0986@3.036 11172 260.0986 260.1008@3.02175 8418 7059 9436 10424 8646 6690 7177 7248 260.1008 260.1081@3.0186 8436 8265 6721 5217 8367 260.1081 260.1085@2.36 8244 6253 260.1085 260.1126@1.7739999 4399 5043 260.1126 260.1139@1.301 7534 260.1139 260.1152@2.418 1783 260.1152 C11 H20 N2 O3 S 15126 14478 14409 15357 15804 14719 18904 16391 13723 13532 11716 13690 15306 13543 11229 10728 13938 13540 11407 13203 8502 8959 11360 11372 12561 11696 11315 10677 11251 11471 16929 16479 12251 10616 8744 9756 11013 10692 13379 12797 12603 11217 15076 15011 13417 11630 12155 11857 10261 9549 9513 9324 9471 10470 9330 10202 9176 11147 11743 10610 13818 13388 9749 9583 8632 8536 13017 12747 12453 12040 12184 12656 9501 8916 9712 10528 13297 47472 11537 11180 11653 11012 10291 9085 9451 9275 12824 12466 6005 6607 6991 12477 260.1208 260.1224@1.627 2939 3396 5604 260.1224 260.1226@1.534 3962 260.1226 260.1231@2.517 8791 260.1231 260.1233@3.7519999 6878 6199 260.1233 C16 H20 O S 3134 5534 11276 2361 10803 7358 3945 9086 10320 5274 7661 5984 6185 3940 3698 10303 4396 2565 3719 9091 8055 8110 3219 1554 8369 5594 10551 3265 6448 5688 7634 6830 7240 5537 4846 4587 5445 4475 13148 4997 9805 6541 9806 5189 18177 7545 3823 8764 3529 3740 4425 5980 8830 4507 8009 3706 6491 7601 6138 6362 4480 6776 5522 8621 5907 10184 6372 5075 16156 4828 2519 7899 12711 5174 12492 9673 18588 7382 4083 6311 1966 8211 260.1234 260.1236@4.89 4609 260.1236 260.1241@0.902 4178 260.1241 260.1243@2.095059 5895 2348 7666 3719 6367 4048 4197 28773 4236 6257 6820 13975 6042 7963 12476 6764 4208 260.1243 260.1243@2.0625 2940 13445 260.1243 260.1244@0.696 2789 260.1244 260.1249@5.6913996 5187 1581 3039 4295 5271 4976 4451 5926 5487 4467 260.1249 C12 H20 O6 7685 5962 7679 7506 5477 7098 1864 6008 5855 8484 6811 7103 2026 9740 6607 7714 6484 7170 9844 3841 6498 3856 7167 4953 4160 3681 10470 8653 4721 9851 8511 4906 7812 7728 2309 1800 5120 5851 6431 5169 5707 260.125 C16 H20 O S + 5.5284123 5900 6139 4079 6095 4710 6571 6018 4700 2695 3541 5977 5996 5120 5115 3251 4168 3263 4317 2857 2724 6427 3218 4403 6060 4200 6464 2078 4092 5090 5134 5353 4988 4433 3107 3409 4889 4766 4519 2363 4657 2656 4669 7289 6852 4543 5380 260.125 260.1251@5.207667 6351 7481 5429 260.1251 260.1261@2.9605 27727 34614 260.1261 260.1262@1.1330742 4646 15399 4270 6338 6737 30371 27772 13876 14381 5616 6905 6056 3854 6133 5601 5139 4930 6567 8283 8204 9378 8169 5182 9349 9113 6671 6618 260.1262 260.1263@6.408 5531 4761 260.1263 260.1287@1.1751176 4545 4713 6714 7956 8682 7467 6255 7249 4895 5971 6558 6600 1638 13957 6054 2659 3306 260.1287 C12 H21 Cl N2 O2 6157 3987 4327 3756 3977 6009 7005 14305 6286 5340 6701 6892 7308 7147 5570 4692 4558 5631 6359 5515 3073 4766 3920 4419 9516 5313 4431 6785 5939 4250 5228 8346 5939 7703 3981 4453 5363 5252 10715 5860 6185 8290 4536 9433 10310 3640 6340 4263 6325 3642 5173 5034 4468 4225 4811 6816 5305 260.1297 C17 H21 Cl 4440 2260 5359 3720 4218 3554 3943 5068 3486 2760 4284 5256 2368 3478 2537 5201 5094 4075 3467 3681 3711 4375 8157 5430 4644 3827 4865 5465 4354 4928 6050 3988 260.1321 260.1712@9.483201 2720 3690 4506 3707 2332 260.1712 260.1735@9.389584 10243 18423 8026 14003 9029 9147 23804 14563 7232 14693 18010 18994 260.1735 carisoprodol 24761 25385 12462 22928 25854 24870 25313 22849 23189 25093 23833 24476 23307 22756 25051 24268 24088 24331 24040 23370 32444 32514 34438 15271 31329 32637 32302 30119 31995 30388 25200 24083 11107 24144 25586 24420 26034 7346 26150 25062 23279 25366 24075 25891 28412 31651 31399 19720 19665 33898 31195 31333 31946 28414 36443 8088 30671 31044 32187 32859 25201 24412 23772 24012 24935 10991 24104 24650 21125 22703 31471 31848 32002 23479 32055 31485 32642 29324 28007 26722 32011 33468 32075 31907 31701 30997 12502 31989 31728 9126 31931 260.1742 260.1843@4.3824997 3823 3773 260.1843 260.1996@1.0756924 8151 8585 2951 3500 1604 8729 5168 3973 4030 3246 4323 3408 2798 260.1996 C15 H24 N4 2012 5474 4483 6792 6202 4872 5301 4644 5146 7122 8046 3650 3775 5789 6093 5851 6169 6445 4971 5563 4179 4230 3357 2427 4389 5442 6806 7621 4821 3719 4865 5026 3119 3303 4185 6812 8252 6220 5901 5605 6081 5681 6010 6617 4833 4044 11489 12060 4794 5303 3410 3826 3932 260.2013 260.2104@1.1314 3155 3139 5470 2665 4695 260.2104 260.215@1.18 31281 260.215 261.0322@0.87825 80112 79506 344769 351814 62094 60119 48966 50103 74547 79571 4735 6718 55741 53969 14937 15308 11345 185332 181100 261.0322 261.0392@3.5435 11731 11668 261.0392 261.0394@4.182 3931 3814 261.0394 261.0795@5.816625 3014 3111 4633 6162 4826 3006 5253 2701 261.0795 261.1008@4.132 7996 6634 261.1008 261.1134@1.221 4545 3734 261.1134 261.1518@4.33 46271 43994 261.1518 261.1564@1.479 2244 261.1564 261.1585@7.1634 3663 4025 3268 3188 3011 261.1585 Pinacidil-N-Oxide 6552 6472 4958 5205 6233 5767 16603 16871 5768 6010 5705 5435 5105 5021 4551 5407 3585 3843 8210 7992 5424 4930 10066 9303 7146 7439 7423 7637 4288 3802 8533 8060 4209 4682 3959 4409 6056 6149 4494 4018 5379 5467 7871 7920 7719 7397 5340 4864 6566 6977 4111 4809 3918 3565 4601 4432 10483 11136 3781 4333 3244 3723 4935 5098 5291 5367 4051 3697 4673 4905 3030 2889 4271 4045 12637 13090 5471 5358 3431 3541 3592 10708 10053 9910 10306 2900 2844 7315 7173 261.1592 261.1686@1.193 3260 261.1686 261.1736@4.1228 8391 8518 3663 3783 3057 261.1736 262.0697@2.0925 4047 3291 6194 5435 262.0697 262.0732@0.80875003 4265 3605 4131 4056 5782 6061 3909 4019 262.0732 C14 H14 O5 23244 21531 3267 6541 4123 5983 5960 14715 15376 3258 20395 20287 4658 4715 5399 4418 64711 61641 36895 36617 37576 11612 11763 23727 23605 3118 10842 14941 15601 14171 56904 58918 16007 16906 3645 2952 8625 19618 2546 7276 7471 9438 6834 8133 12141 11518 10518 5953 5089 5748 262.0831 262.0837@1.3771666 4189 4892 3161 10311 6739 9622 262.0837 262.0872@1.148 20550 22273 4316 4228 262.0872 262.0883@3.971 6905 6756 262.0883 262.0939@1.2061666 3760 2230 3242 8211 1950 5526 262.0939 262.1038@3.3448997 19366 19791 10495 11151 4315 4407 37792 38085 25824 24912 8414 8774 3803 26454 26124 6257 5967 6120 12305 12686 262.1038 262.1038@1.5525999 7382 6594 7310 5761 5361 262.1038 262.1123@1.072 3828 4180 4148 4039 262.1123 262.1222@1.2305 107819 117904 262.1222 262.1222@4.219 50809 50787 262.1222 262.1228@1.142 4738 3863 640335 656000 262.1228 262.1239@1.056 19202 23283 262.1239 262.1343@2.112 6938 262.1343 262.1349@6.4049997 2766 2721 262.1349 262.1373@1.1426667 4461 22486 23462 262.1373 262.1405@6.929 1866 262.1405 262.1414@2.747 4505 262.1414 262.1505@1.1429285 3109 4428 4223 3521 1444 4054 1896 1846 3805 2677 2990 4392 2048 6126 262.1505 262.1553@1.1356562 2231 2908 3817 5635 7531 3941 3740 4055 3710 5807 6065 5856 2466 10648 2731 2234 4223 3099 4394 2915 2833 3280 6975 6654 5372 4801 3217 2652 1624 5263 5507 262.1553 262.1553@4.364 1254 262.1553 262.1569@1.094 1953 262.1569 262.2093@1.1475 4807 4457 262.2093 262.2105@1.151 262.2105 262.2256@1.1754999 5049 2030 262.2256 6-[3]-ladderane-1-hexanol 8458 92663 5361 62415 20168 17459 9039 7900 15627 14789 3528 17031 15571 15407 4109 18041 18444 11287 11136 10710 9133 33182 6455 15819 12700 14945 7300 4469 21399 20618 20756 7803 9739 15184 11179 8459 10313 7882 8777 13601 10972 6262 5889 2639 20940 13591 15279 15833 14342 6628 6110 9639 10957 7236 7014 23973 24713 15425 17825 9700 9115 8490 12166 13782 11936 9332 9020 26546 23461 12389 13656 7876 8349 10048 8261 5426 21928 7853 12869 18693 9034 11505 9295 9516 10324 7601 8605 11418 9400 6483 6813 LMFA05000065 262.2303 262.2309@1.0783 1677 7464 14405 9548 15059 19324 4558 33911 31626 5325 262.2309 263.0478@0.80625004 15704 15558 4078 4183 263.0478 263.0653@2.0865 3732 3819 4013 3488 11483 11977 3319 7834 8866 7118 7248 3765 4664 5112 4866 24129 23206 9385 10157 263.0653 263.0785@0.806 2124 263.0785 263.0838@0.795 3914 263.0838 C7 H13 N5 O6 8037 8602 3338 5056 5547 13412 13933 13234 9593 3588 3699 11283 9621 3228 3393 9840 12565 3321 3852 9439 8951 3493 5865 5932 14837 12288 8861 8660 4225 4189 13089 12922 4089 3895 9432 9230 3554 3587 8293 7858 13986 8438 14335 6836 6381 8135 9487 8902 7734 7883 26804 27121 263.0839 263.1072@1.4416666 3331 5496 6283 263.1072 263.1204@7.333 4969 263.1204 263.1205@6.7755713 2274 2563 2207 2401 2515 1935 2170 263.1205 263.1209@7.4285 96476 97885 263.1209 263.1267@1.211 2284 263.1267 263.1337@1.1112221 3328 3402 2800 2565 2461 2868 2565 2652 1885 263.1337 263.1681@4.0620003 561291 560449 263.1681 263.1743@1.1668501 2424 2066 3863 5418 2464 3069 3188 3306 3923 7421 6129 8176 4388 3524 3526 3140 6664 3288 4066 5504 263.1743 263.1879@4.2935 969412 978193 263.1879 263.1901@4.489 22214 263.1901 263.1911@4.442 680534 717067 263.1911 263.2263@3.8756151 6407 4606 4913 3086 5296 4863 4770 2423 3371 4803 4688 5996 4033 263.2263 263.2391@1.098 2153 1799 263.2391 263.2443@1.103 2831 263.2443 263.3031@4.0625 10029 8990 263.3031 (3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate 3560 5455 5757 2754 3399 3548 4033 2646 2902 3765 5594 5609 3724 3678 4732 4387 4556 4442 2556 4204 4908 3185 4664 5199 5461 5761 5161 3993 4180 4973 4431 4411 4449 3585 3373 3989 3683 3495 3924 4122 5709 5000 3975 4033 4974 4951 4569 3645 4068 4103 2563 3924 264.0283 264.0475@0.766 18367 13679 12931 10521 11665 17938 21643 1896 1648 1780 264.0475 264.0623@0.801 6202 264.0623 264.0738@0.80333334 5303 1871 3249 3463 9216 5915 264.0738 264.078@1.2638334 19377 28787 40959 28915 40701 27791 264.078 264.0802@1.3520001 13757 10076 9988 264.0802 C16 H12 N2 O2 7443 4067 4436 8857 8970 17678 17215 13002 13159 5803 5693 16085 16265 3977 3883 6793 6157 3860 4258 4458 3516 2470 12121 9705 8205 8004 7783 16095 16227 5004 5532 5740 5667 5973 33927 33077 3192 7670 6730 7405 5954 6194 2771 3286 12810 12263 2599 9036 2947 9538 15594 17534 17691 18993 18590 10874 11000 264.0915 264.1008@1.6173333 5088 6046 3523 264.1008 264.1034@1.3863333 4640 2237 5369 264.1034 264.1063@7.2543645 3699 4157 3913 3900 11584 11238 2353 4712 4407 2008 2494 264.1063 N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine 108374 110574 63268 58044 150904 92907 59763 217246 79074 80195 108192 108206 111037 10445 32530 34504 36848 36690 313352 313865 204466 42569 44111 79259 69556 69038 3794 137798 38420 39965 61394 61828 180223 184877 17479 18507 47602 47512 104729 79680 111702 109566 141752 79770 80196 46609 49412 220638 101639 65312 63824 234780 239606 34990 33525 70789 72803 125102 13892 13997 110557 110045 47388 133846 135778 53431 264.1129 264.1131@5.214 4818 264.1131 264.1413@1.0632727 9993 21166 4662 14871 15754 5113 8126 2932 4476 14417 13268 264.1413 264.1426@1.0747095 11074 8140 13291 1995 3993 8242 5219 8051 13432 3617 2984 4321 5103 14328 13398 7212 7863 7792 7015 11105 11705 3514 4178 3249 2812 11632 13660 13053 14025 4649 264.1426 264.1461@1.0766667 3583 8585 2472 264.1461 264.1488@1.0853461 3329 6850 3929 9100 7970 6811 2423 6027 6695 9643 7055 3280 2505 6079 4671 6022 5611 5013 3739 7903 6747 7183 5147 4487 2161 2964 264.1488 264.158@3.512 4300 264.158 264.1589@1.09575 1898 7118 3726 7731 4406 7075 4912 2863 264.1589 264.1598@1.162 3921 264.1598 264.1666@1.1228261 9119 4202 4120 8494 10062 6707 8846 9517 9621 6952 4883 5528 7781 13105 3553 11864 3368 4468 9590 3839 4984 2290 2960 264.1666 264.1701@1.0927777 10059 1908 1955 7128 5787 14414 5265 7114 2568 264.1701 264.1762@1.0813333 2955 5681 2072 264.1762 264.1877@1.0534999 2276 1588 264.1877 264.1975@1.051 2197 264.1975 264.2061@1.0514 1478 2765 21745 12124 17223 10814 7051 1281 3294 22843 20538 1916 24717 3996 2262 12673 12168 16540 27907 2440 264.2061 264.2097@1.0495 1683 3934 264.2097 264.2312@1.031 1510 264.2312 264.2395@1.1178889 3261 3089 2986 2777 3277 3349 2540 2915 3590 264.2395 264.2493@5.1686664 2052 3964 3203 2182 1229 1771 264.2493 265.0269@0.921 1359 10961 10766 265.0269 265.0277@0.84150004 1998 1884 265.0277 265.0502@0.75450003 2079 2274 265.0502 265.0611@0.74399996 2939 2964 265.0611 265.0747@0.831 6903 265.0747 265.0817@0.786 1737 265.0817 265.1215@1.604 3536 4644 265.1215 265.1226@1.3365 21049 19243 37189 29753 265.1226 ANISOMYCIN 8331 8282 9851 9202 13308 12626 49895 51718 3406 3918 14228 14042 12012 12256 6980 7014 2807 3972 4447 5900 6327 22427 22960 14946 15529 3305 3715 13813 14169 7908 8058 3805 4763 6317 6424 10119 9890 5175 5490 3187 3601 8165 8433 5897 6080 8023 8422 7078 7280 5662 5253 6078 6258 8098 8287 8745 8166 2608 2181 7786 7403 4198 3776 3576 3450 11679 11810 2773 2921 2629 3570 3097 15167 15568 14711 5067 5540 49831 49933 4733 4690 17474 16480 265.1334 265.1404@1.11 3454 2401 265.1404 265.147@4.365 7693 7709 265.147 265.1588@4.3405 236013 239699 430028 425483 265.1588 265.163@1.2822499 5246 8803 5521 2914 265.163 265.1679@1.2243333 10787 17612 13939 12786 7401 9167 9125 9659 8950 9734 8775 3862 25050 13312 14387 4552 6856 14528 14516 12418 14290 27045 15609 11164 9508 15175 14101 11321 10967 19029 265.1679 265.1711@1.192 3599 265.1711 265.1797@1.1591667 3376 3759 3580 9607 9153 10920 265.1797 265.1855@1.1104 3946 4183 22702 4701 25617 265.1855 265.2094@1.184 1760 1720 265.2094 265.2335@1.198 4088 5403 1543 1984 5010 265.2335 265.2974@4.3412504 3505 2494 6184 6882 265.2974 266.028@2.349 10336 266.028 266.0519@2.165 5256 266.0519 266.0527@2.143 15926 12092 14837 6475 4288 7667 5310 27450 4148 5571 16429 266.0527 266.0532@2.505 4243 266.0532 C11 H10 N2 O6 17694 17857 18949 20807 27708 26849 30326 28997 25304 10944 10967 17364 16669 5320 5413 22819 22177 17484 33550 19988 19847 18151 17330 46704 46399 12744 20814 21893 16277 16619 15500 15073 20067 15946 2898 4018 16165 17105 24872 24880 14523 35711 24914 28679 15005 266.0534 266.0729@3.542625 4687 5087 2920 19462 3928 4154 3799 3416 266.0729 266.0824@2.501 13129 12173 17992 19753 266.0824 266.1066@1.6085 5436 2830 266.1066 266.107@1.63675 3222 2925 2401 5484 266.107 266.1104@1.198 3279 3422 266.1104 266.1105@1.987 15871 266.1105 266.115@1.5062222 32323 4049 15476 4600 2255 11806 10672 7200 3814 266.115 Nevirapine 7893 9807 10483 12840 2037 31829 6897 6342 2914 10474 11686 13623 9010 9163 7307 19198 5520 2135 3829 10698 12027 6724 5824 6877 14334 10548 7340 7517 10488 9113 15758 15447 13869 13830 10805 10049 3662 3261 8508 2817 5523 13479 3200 4290 6971 6993 6657 5895 6931 23816 12074 9428 8370 5210 5865 4404 5029 25521 22476 2469 6811 10636 266.1171 266.1184@1.417879 6432 6908 3949 4307 13254 15275 4745 4337 6300 8611 4985 4604 4748 4795 6463 7244 5258 19061 9709 6450 2765 4992 10217 5549 7305 13450 5153 4411 5340 4007 7092 8358 15821 266.1184 266.1218@1.4189999 3915 4679 266.1218 266.1227@1.686 9858 3010 266.1227 266.1334@3.9365 20552 21026 266.1334 266.1511@1.158 3331 266.1511 266.1532@1.2235 2592 2641 266.1532 266.1553@5.162 3700 266.1553 266.1605@1.211 2046 3785 266.1605 266.1634@5.0407777 64151 69302 317238 20911 75481 73701 81042 27603 26588 266.1634 266.1652@4.911364 2485 2434 176931 195072 577589 637467 191060 202590 191844 69364 63872 266.1652 266.1654@5.039 283869 266.1654 266.1671@1.0856667 2036 14968 14412 10322 37149 25308 266.1671 C12 H26 O6 27077 27497 9953 10454 3762 4169 22266 20208 13492 10467 23799 21657 25490 28965 24301 15455 28047 27826 38977 12746 8644 9313 9178 8428 4895 14980 27957 27961 7937 8636 23567 22403 17561 18688 10914 12107 27084 21711 17317 27881 16030 16953 7584 7156 34115 33974 28958 20969 37961 38467 24143 12707 26146 15027 14071 15297 12647 19351 25255 29035 22707 10412 18606 17778 16714 18891 19059 13784 13778 38066 20010 19905 25472 266.1733 266.1763@1.166 3909 266.1763 266.1812@1.0949374 7173 6163 9781 6009 11982 16292 16667 4923 5187 11186 6399 6216 10254 11948 22777 21007 266.1812 266.1872@1.123207 12400 12799 6591 12921 11380 13705 15970 15131 10304 10873 18392 7023 12958 12194 9377 11400 20397 18596 13271 14460 8122 13932 20810 18496 14407 10142 2657 16745 16865 266.1872 266.188@1.13 15272 266.188 266.207@1.0425 1635 2062 266.207 266.2269@1.036 1493 266.2269 3E,13Z-octadecadien-1-ol 15674 14830 19614 20410 16183 15076 27305 28288 16566 18404 19746 19988 17311 19685 14549 13653 17402 18175 27880 25659 8774 8407 8946 8476 15178 14204 10898 11435 8095 9502 15533 15090 21289 21776 20061 19448 16229 15659 30643 29960 12827 14238 17741 17804 16735 15558 18756 18187 12965 13280 25884 19887 11655 11323 13861 14053 8305 11884 22727 22881 32006 34747 28618 28528 22685 21098 19771 19488 25696 26285 27317 28130 19143 18029 12153 12316 18821 15930 22529 21922 19616 20811 20221 20946 10880 10861 19880 21636 48051 48751 12019 13385 LMFA05000048 266.2591 266.2998@4.99375 2320 4667 2703 2691 266.2998 267.0932@2.054625 6650 1837 5947 5221 6808 4756 6039 6062 267.0932 267.0982@2.8656666 5605 5121 4121 7503 7765 6103 6302 29379 33802 267.0982 267.1143@2.4931667 5840 6817 5933 5778 3034 3595 267.1143 267.12@1.183 1661 267.12 267.1455@6.5335 2232 2055 267.1455 267.1473@5.585782 14838 15418 6361 7746 3510 4626 4551 9063 10124 8328 7812 3978 4179 10384 13069 17328 6814 26809 27958 10754 10961 17583 18201 267.1473 267.1475@5.582333 4003 6596 19441 267.1475 267.1479@5.4975185 92175 89452 39901 40375 20437 19209 32067 30935 55801 56330 40544 39623 25272 24865 2918 3333 74714 75637 134160 131863 143473 141714 66233 65410 1934 110599 109905 267.1479 267.1482@1.6442001 2921 5966 2457 2211 3752 267.1482 267.1491@1.095 106370 105522 267.1491 267.1493@5.734 2102 267.1493 267.1636@4.278 6943 7099 267.1636 267.1769@1.081 4745 2833 4705 267.1769 267.1853@4.1905913 171287 174715 18300 18716 40960 41088 92260 91760 50055 48814 678744 678717 142731 143601 1286949 1286186 1242291 1253039 476542 471872 295001 290674 267.1853 267.1867@1.205 3127 267.1867 267.1939@1.195 3403 14014 267.1939 267.2016@1.193 2856 267.2016 267.2087@1.1939375 4286 4414 2894 2091 2661 3401 3323 2862 3418 2500 2405 4245 4766 4387 2199 2858 267.2087 267.2161@1.1937858 3108 2980 3112 6034 3886 2199 3648 3033 3399 2502 6509 6057 10502 8281 267.2161 267.2214@1.1892381 39285 34062 17723 14844 33074 32446 7241 11548 8475 10623 9092 10336 4162 5577 9477 6162 9601 1683 53748 51680 267.2214 267.2567@1.1544001 25160 27220 5717 5676 2346 267.2567 267.2576@5.2 2781 2509 267.2576 267.2827@5.5125 1332 1614 267.2827 267.3057@4.976 1175 267.3057 267.3196@4.176 14044 15184 8348 7584 5311 3605 267.3196 268.0421@2.026 8059 268.0421 268.0444@2.0494616 7035 8621 5237 137696 11778 4419 9234 10430 4460 8459 7921 6999 7059 268.0444 268.0664@1.982 12699 268.0664 268.0766@1.7474 3750 3572 2305 3429 3719 268.0766 268.0842@2.9075 5655 7480 7124 3960 5342 4315 268.0842 268.1117@3.1595001 25420 25416 268.1117 268.1124@3.9335 51299 51476 268.1124 268.1124@4.723 41947 44860 268.1124 268.1197@5.462375 13805 10331 5695 6023 1560 30231 2975 2879 268.1197 C16 H16 N2 O2 11348 11360 139475 140621 51156 51944 183068 185770 28645 26310 2580 264244 265562 306632 315433 34900 35347 213190 219156 85945 87914 259100 251819 103866 104478 32695 31006 73624 76305 340753 340085 126972 121121 364039 390076 132048 135465 112133 113526 167696 174424 92394 93212 79248 79003 94320 88945 164057 159722 27314 154216 155974 82888 84339 85944 87198 107785 114924 83438 83657 2139 2404 186053 184970 180664 182728 187243 192785 133898 134727 118564 97983 120690 108859 107217 137890 138590 136953 53765 53113 17535 194286 191552 268.1207 C14 H20 O5 6167 6261 4988 8501 7627 8462 3578 10047 10385 7957 4888 4927 6203 6563 11671 10504 6273 9768 8090 6046 4722 4966 4731 7151 4194 18109 19235 3250 8768 9477 5707 4941 6641 4700 4405 11446 5297 6426 3070 4704 268.13 268.142@1.14064 51744 36413 12482 22368 20512 14445 7827 3461 24347 37448 2720 9793 12367 8165 14112 14487 11574 10447 15191 14736 4285 21277 17046 20866 22592 268.142 268.1436@1.14835 5860 8718 8811 4143 5272 5900 3741 9467 9351 6545 7534 8970 8482 11301 7954 9352 9516 13244 12193 7173 268.1436 268.1505@1.1597272 6597 11682 6862 8979 8230 8577 7672 10372 12892 10590 1733 268.1505 268.1591@6.388 67970 71979 268.1591 268.1655@1.206724 15984 6979 12937 12156 32864 1604 9977 4893 4008 4103 5744 21648 13707 8316 4524 14319 8059 28003 21148 9428 11056 1757 15475 4981 12146 5587 24851 26709 268.1655 268.1659@1.2691666 12414 9194 5947 14599 11895 7058 10987 15864 22850 24352 5515 6026 268.1659 268.1687@1.15325 48098 50572 22922 2061 31815 41935 20877 21753 24277 46973 43836 40548 44886 26571 23120 18906 72114 34324 40291 38858 39668 40130 11302 17026 268.1687 268.1807@1.127 3750 4789 1902 268.1807 268.1837@1.194 1714 268.1837 268.1987@1.11225 5228 1901 3551 2546 3764 11461 2406 6254 268.1987 268.1999@1.119 2441 268.1999 268.2048@1.1206 4900 2491 4397 13182 32320 268.2048 268.2075@1.0636002 8317 23597 9024 7725 5313 7427 7240 3644 98395 4506 268.2075 268.2184@1.0544375 2902 11092 10379 10943 5682 14465 14468 12524 10282 9232 15993 11096 6376 6496 6767 9674 2915 3030 8220 11360 11764 6296 13081 13920 15516 21621 6845 2907 2662 10514 14694 15654 268.2184 268.2582@5.4264 1735 3386 2997 1773 4974 6129 5394 1360 1529 2239 2391 2256 1981 1595 1110 268.2582 268.3088@5.444 2110 268.3088 268.3255@4.21 2901 268.3255 269.0694@3.6425 6075 5050 269.0694 269.0729@2.1520002 5520 6730 4767 269.0729 269.0832@1.2655001 174657 173232 38059 39084 269.0832 269.0844@1.5159999 15429 14258 6133 269.0844 269.0846@4.2615004 4635 4482 269.0846 269.0864@5.373 6934 7035 269.0864 269.0875@6.7 2509 2667 269.0875 269.1011@2.0415 59775 62851 269.1011 269.1048@4.019 11403 11105 269.1048 269.1464@4.1015 29628 29428 32449 33123 269.1464 269.1475@1.1390002 16347 7976 4948 5585 5263 269.1475 269.1491@2.2203333 7916 9541 9282 269.1491 269.1499@5.826143 2718 3060 2843 2894 2539 3253 3758 269.1499 269.1549@1.148 5767 269.1549 269.16@1.1445 3207 4605 4335 4567 2001 2977 3983 3665 269.16 269.1628@1.1481001 4605 3188 6867 5260 3414 5172 5493 1446 13775 16610 2805 2107 3708 2667 2605 2990 3721 6513 3640 3593 269.1628 269.1642@4.9068995 4388 5176 3462 3064 18016 18318 3534 3171 4808 4618 269.1642 269.1713@1.1485 2422 2659 269.1713 269.1989@1.1945 4736 4001 269.1989 269.2034@2.0130002 5134 6180 4309 269.2034 269.2079@2.028423 9774 11902 5221 4567 4453 2988 6424 2566 4832 4676 19427 7932 6613 6939 12602 8018 5944 6211 4073 6302 5412 7539 5391 4130 5745 21197 269.2079 269.2087@2.004 7425 269.2087 269.2097@2.0454998 4123 6040 2998 10976 269.2097 269.2365@1.1735 18568 20275 17873 9247 21748 22163 269.2365 269.2716@1.1205001 20190 18619 269.2716 269.2865@5.837 1308 269.2865 C14 H3 Cl O4 2073 2046 2319 2237 1786 1582 2102 2062 2488 2269 1968 2098 1519 1604 1786 1684 1912 2196 1625 3211 2019 2215 1936 1362 2385 1797 1979 2114 1203 1874 2146 1930 1962 2229 2190 1887 1976 2276 1787 2615 3003 1687 2257 2722 2637 2905 3167 2834 2564 269.972 270.0199@0.7105 5870 4782 270.0199 270.0535@0.7255 9393 9626 270.0535 C19 H10 O2 6551 7937 5027 7807 6481 7367 15869 18356 7058 8486 5614 5793 7596 4822 4667 1998 5755 5210 5519 4896 4139 5638 5563 4661 4112 4579 5487 3890 7453 9098 4906 4458 6247 6546 6551 6705 7900 7258 6237 6313 6208 5836 3786 6799 6791 5560 5847 3631 3780 3703 3885 5177 4345 9457 6985 4922 5033 5578 4966 6062 6910 5889 3571 4701 4557 4586 3976 5093 6028 8013 7162 4060 4926 9862 9849 10047 7518 7667 11566 10886 7743 7641 6829 7233 270.0668 270.0669@2.187 4072 270.0669 270.0729@1.6335 32641 33479 270.0729 270.0741@2.1393335 2121 7709 8485 270.0741 270.0792@1.6315 3980 4768 270.0792 270.0836@3.963 6165 270.0836 Chloramphenicol alcohol 35223 37097 56959 56766 34955 35125 120710 127051 55141 56320 85531 83120 47217 46506 32766 31910 50246 48146 25790 26058 17487 16208 68150 72038 30858 30310 47498 48294 19201 22854 50649 50026 39432 39323 40423 41401 55629 55576 61007 59611 30379 32015 26897 27527 51010 51070 23382 26155 26535 27739 32705 35344 24459 24131 35300 34187 42535 40926 74344 73643 77417 77149 46326 47087 41025 36168 31241 30666 28967 27590 162418 175283 57386 58948 26571 27001 126196 127016 15295 15107 83108 77912 79664 72437 76980 48991 45542 66200 62542 27100 25422 270.0866 Chloramphenicol alcohol + 3.2187703 14900 15793 10872 10720 12461 11742 37302 37477 10059 9825 11126 12133 9778 10089 7046 6697 13035 14964 5348 5240 7629 7749 12933 11392 8194 7721 4214 10170 10763 6586 5322 7012 6804 9933 10116 8584 7836 5479 6180 3592 3673 6487 6879 5682 6201 8000 9105 8204 7862 5046 4751 5851 6850 8097 6941 16544 15991 4632 4493 7257 8322 5053 5168 6540 7051 4554 17114 18091 4661 4356 4088 4056 20938 21765 4902 4881 12296 11934 11091 7438 6843 13075 12811 10710 9462 9104 8723 270.0866 270.1279@6.616 2908 2756 270.1279 270.1459@4.697 5873 5380 4013 4456 270.1459 270.1483@1.3740001 8163 22830 40781 67132 7087 11042 270.1483 270.1491@2.5236666 6423 6368 6348 7406 8722 270.1491 270.1502@1.1600001 28513 61884 270.1502 270.1551@1.1403333 5795 3726 3802 270.1551 270.1603@4.929067 5980 7400 3849 3961 2495 4463 5535 4356 5063 5622 5355 4633 5296 5138 4595 270.1603 270.1634@1.2025 3668 3542 2393 3537 270.1634 270.1714@4.64 4469 270.1714 270.175@1.1603333 4482 5386 4168 270.175 270.1757@4.5555 269735 268184 270.1757 270.1807@1.1612142 6147 4147 4486 2764 4774 5214 3801 4050 4863 3868 4965 3537 2307 2362 270.1807 270.1855@1.161 4392 3566 270.1855 270.1956@1.1559999 5112 5340 270.1956 C19 H26 O 6446 6573 5237 4856 36884 38467 15165 16383 7816 7488 3427 3651 3542 3820 10941 11081 7578 7826 6660 6607 4629 4286 9540 9909 18638 17269 5360 5100 3623 2973 38371 49026 8454 8650 29260 27211 17919 17736 11061 10869 7896 8339 7754 8447 28816 24873 22478 22470 5965 6408 10190 8543 54450 6582 50647 9420 9903 6591 6417 6358 29140 30459 17086 17039 8346 7657 270.1999 270.2108@1.065 3978 4054 270.2108 270.2161@1.0614687 6275 5028 5003 5972 12767 9873 5078 5524 5541 5431 15996 13622 6439 43349 13525 14576 2546 6896 5137 4972 3806 10080 8483 4347 5467 5231 3555 4773 5187 7924 4028 4315 270.2161 270.2178@1.069 5727 270.2178 270.222@1.1326666 3755 9370 7831 270.222 270.236@3.491 10762 270.236 270.2361@3.4540002 5856 4866 7114 56831 56162 16821 27916 270.2361 270.3132@4.556 2688 270.3132 271.0859@1.323 2988 271.0859 271.0913@2.883 5158 271.0913 271.0992@3.68875 465051 469290 123225 119688 271.0992 271.0995@1.096 250387 254394 104786 105871 271.0995 271.11@1.636 3083 5311 4074 3866 271.11 271.1234@1.1914 12550 12610 8108 7751 19385 28463 21292 24249 1791 2915 23879 22591 3664 5300 5213 271.1234 271.1251@1.1915 5466 5825 2172 3137 2911 12233 11749 1408 7104 23045 18479 3812 2138 3868 19855 17347 3232 3305 3297 3370 4242 271.1251 271.1287@2.8125 6140 6237 3581 4396 271.1287 271.1366@1.2049999 1949 3433 271.1366 271.1576@4.28825 92235 95919 112650 115491 109296 106451 146603 140751 271.1576 271.1578@4.361 2721 271.1578 271.1588@4.1825004 5528 5932 6431 6337 15400 14260 271.1588 271.1738@1.1350001 3225 10514 8648 271.1738 271.1778@1.128 18337 19115 271.1778 271.1794@6.4715004 10769 11768 271.1794 C15 H21 N5 6591 8321 3191 3023 5878 6251 3756 2971 3478 3918 9466 9113 5484 5838 6413 7523 7194 6176 6040 3024 10986 5278 5473 4939 4237 6300 5754 12478 10267 5608 5110 4807 15758 15259 14107 7952 8678 16127 16377 7549 7059 271.1797 C15 H21 N5 + 6.400023 3424 3774 3022 2974 3790 3291 13695 14440 4358 4429 2653 2168 8279 8811 5672 5681 7015 6303 8273 8876 1388 5306 10322 12085 2555 2421 3070 3204 3219 3126 6322 6514 3177 2838 4517 3698 7714 7917 3611 3747 2908 3555 2222 11874 6376 7050 5777 5431 6056 6034 3081 18870 18181 7847 7449 4525 4769 4974 4176 5271 5694 4631 5138 2349 3768 3997 9221 9547 2728 2034 4105 8056 7632 3485 4695 5189 5376 5421 3310 2503 3414 3885 8698 7803 3892 3972 271.1798 271.1943@1.199 1789 1770 271.1943 271.1947@4.281 6049 6515 271.1947 271.2039@1.209 3310 2910 3149 271.2039 271.2094@1.1713077 1938 1408 2658 2481 3374 2084 2746 2740 3676 1941 1716 1659 2392 271.2094 271.2153@1.2042501 21920 16239 7031 7619 2372 4095 3235 7437 5544 2950 2476 2805 1949 2959 3632 5742 3681 3925 1957 2253 2339 1814 3849 3891 11050 12907 3172 2602 3332 6025 12983 12287 271.2153 271.2263@1.199 1666 3765 3634 2109 271.2263 271.2313@1.198 1762 271.2313 271.2375@3.684 6185 271.2375 271.2393@1.196 2508 2334 271.2393 271.245@1.1673636 2862 7761 7521 4637 5090 1517 5747 5729 3500 2895 2270 271.245 271.2525@3.8775 95359 92872 271.2525 272.0791@2.6443 3600 3586 4483 20119 8392 8190 4944 9564 4724 5623 272.0791 272.0796@2.716 2678 272.0796 272.1026@3.732 1856 272.1026 272.104@1.101 3851 272.104 272.1066@1.6487501 8576 9291 14898 3627 272.1066 272.1211@5.099 4359 4672 272.1211 272.1214@5.183 9649 9838 2286 272.1214 272.1216@6.4865 4986 5569 272.1216 272.1223@6.9505 4234 4239 272.1223 272.1278@1.1695001 1682 1918 272.1278 272.1405@2.91 8467 272.1405 272.1407@3.002 6649 272.1407 272.1441@1.206 7590 7278 272.1441 272.1532@1.21325 4214 7166 7263 3925 5110 4581 5228 8999 272.1532 272.1645@1.2251112 6006 34931 3547 5879 6072 589955 594608 155768 154112 6690 6480 2747 2014 17962 3149 5648 3523 4749 2916 4858 5371 3982 3330 3697 6879 3447 4540 272.1645 C12 H24 N4 O S 4638 4984 4486 174908 174843 50961 50877 24468 23032 35479 33887 1614 5953 23512 23792 37145 39664 8177 103855 103469 27375 27860 5112 5048 3523 6442 5344 4217 5166 13252 12761 3153 7074 272.1648 272.172@1.0865 7226 4102 272.172 272.1736@1.0818 7112 3426 3064 12717 3173 272.1736 272.2022@1.0569999 3640 4850 272.2022 C16 H32 O S 4798 4828 7334 30969 12111 26663 25742 10758 24830 170305 172080 40771 41485 7248 9415 24665 9015 8936 8513 9566 7151 46167 43055 8261 7595 14813 15624 41107 39250 7956 23063 10605 4808 16439 7041 9360 28771 32207 12336 3515 3630 16443 6548 26534 28677 4681 14920 69645 21061 12021 32708 3759 3762 272.2155 272.2394@1.187 3901 3971 1391 4075 2464 4041 3362 1757 272.2394 272.3021@1.128 1666 272.3021 272.3085@1.308 4686 272.3085 273.0305@2.0445 5991 5123 5137 4361 10724 10295 273.0305 C8 H11 N5 O6 9837 6528 6345 14516 5246 4822 6318 6065 5057 4719 3773 4124 5834 5893 4121 4119 3583 7541 3267 3132 5405 4684 7614 7559 5932 5952 3319 3770 4236 4893 4336 4553 6084 4027 3853 3771 5625 3591 6140 4626 4171 5831 6250 4514 4614 3878 3921 8117 7866 4913 5468 273.0708 273.0823@1.0866667 5388 2665 273.0823 273.0827@2.682 2114 273.0827 273.1367@0.73733336 2850 3158 2898 3326 4131 3866 4602 4438 4517 4813 3977 273.1367 273.138@5.023 8813 9647 273.138 273.1385@5.0715 9784 9010 273.1385 273.1452@1.20225 2584 3785 3008 2555 273.1452 273.1598@7.0113997 2746 2951 2106 2582 2373 273.1598 273.1651@1.448 4418 273.1651 273.1654@4.6526666 27287 27499 7128 273.1654 273.1905@1.135 2349 3744 2651 4077 2861 5331 2873 3143 3343 2862 2654 2684 3404 2990 273.1905 C15 H23 N5 5031 3729 7694 7759 13440 11583 18433 19350 8723 8319 6981 6188 15699 14378 14858 14803 11302 9972 8961 9048 5893 2248 4805 5824 8523 8082 8245 8264 7320 8251 6917 6549 5107 4592 5750 6253 5337 8027 3044 6107 6497 2991 3217 7428 5313 6300 6610 5807 6026 6354 13973 13201 2327 4896 5297 5336 7578 3527 11543 5726 5709 5934 4066 4768 6294 5591 11009 8094 2668 7458 3892 3584 12952 13951 10109 9227 5989 6018 4434 8688 273.1955 273.1955@6.2489166 3969 5190 3428 3498 2961 4668 4153 3847 2928 4257 4322 3978 273.1955 273.2323@4.146 3084 3234 273.2323 C5 H3 Cl O3 S4 19354 19775 16536 17635 22456 22981 17137 18478 20980 16184 17310 22495 22572 23434 19777 24448 17273 20090 23401 23816 24474 24639 25660 20677 23401 18966 16940 20146 21347 17061 24000 24031 22112 17196 19445 24053 19254 18058 18347 22296 16755 16791 21160 16324 21199 22049 16165 16787 21534 17137 23395 19124 16604 16987 18192 17969 17380 22554 24924 24944 18604 22909 21179 22599 20856 20557 22443 18424 16541 16794 16721 17015 23140 22715 21132 16942 22238 23043 17956 18018 19476 24627 23766 23819 24480 23095 23667 17726 19174 22782 22416 22913 273.8664 274.0425@2.6146 6052 4927 6007 5883 5563 274.0425 274.0446@2.7615 4305 3153 274.0446 274.0637@1.2720001 11423 11216 274.0637 274.0811@2.6926668 2738 5227 7971 274.0811 274.1045@3.967 1495 1795 274.1045 274.1054@5.8295627 5858 5833 6215 6116 5505 6740 3011 6416 6492 5525 4892 5500 5858 4661 5888 5396 274.1054 274.1618@1.0556667 4021 5317 5414 274.1618 274.1697@1.15 5453 274.1697 274.1881@1.1396 15526 8433 3521 25332 7951 274.1881 274.1907@6.7345 4961 4131 274.1907 274.1914@1.1295 89893 28942 42378 46224 274.1914 274.2052@1.0905 11380 4038 274.2052 274.2182@1.082 3033 57677 274.2182 274.2284@1.0702667 2561 3200 22875 3477 3479 2882 5119 4184 4406 3977 23483 3453 3736 3006 3254 274.2284 274.2354@1.0771999 4459 3571 2976 3511 3401 274.2354 274.2434@1.0852001 4625 5971 7444 2809 4409 274.2434 274.2447@5.835 3045 274.2447 274.2524@0.833 154642 161618 274.2524 274.9838@0.881 4244 4621 5863 5446 274.9838 275.0476@0.804 18280 18891 275.0476 275.0689@2.6516669 3241 5385 4158 275.0689 Ketamine metabolite (Cyclohexanone, 2-(2-chlorophenyl)-5-hydroxy-2-(methylamino)-) 9038 9598 10571 12189 18386 19240 20836 5435 3401 5785 16551 3528 5168 7935 5012 5306 6142 8184 5671 3582 6562 9103 5599 5672 8294 3657 14045 5836 14793 3450 3296 6010 11588 5162 16849 16457 4079 10336 4585 5722 19855 8697 9110 4234 4660 6145 8317 2382 6160 7705 7224 275.0692 C8 H13 N5 O4 S 5845 12237 7459 12570 5868 3880 4183 13608 12152 9942 11396 7441 11793 13962 3470 7138 4398 10386 9524 16727 14138 7688 11646 6825 10091 9493 15048 14728 7463 5729 13492 13920 11419 6673 14876 14860 11940 6936 16781 16278 2667 4659 10264 13349 3781 5880 12537 17277 11648 11656 11764 9283 13275 5368 12981 3743 11826 6764 10690 6867 12184 3283 18181 14279 6716 275.0696 275.1304@4.48925 35135 35186 29345 30346 275.1304 275.1316@4.7054996 944070 945413 919852 941680 275.1316 275.1409@7.3956666 3215 3201 2166 275.1409 275.1729@7.031 1644 275.1729 C14 H21 N5 O 8359 9222 5912 5936 10337 10223 32462 33048 9510 8519 7965 8236 13016 13235 4104 3736 15090 14545 14616 14236 5060 5022 14665 14610 6136 6748 4825 4535 3508 3565 12314 11555 8872 9209 4268 4534 5253 5432 10296 10814 5113 4159 3549 2885 13329 13236 6317 7445 6130 6157 5185 5737 6767 6167 18844 17903 6732 7328 25019 25648 7299 7437 4440 4482 4890 4798 6269 6424 9881 10233 11162 10745 3611 4337 6204 5227 18896 19263 16084 16273 15570 14068 15879 14494 15458 12160 12199 14645 14830 9900 9822 275.1756 275.1788@1.20025 6785 12746 12776 13492 275.1788 275.1891@0.9033333 3988 4880 4800 3934 5712 3448 4152 5634 5497 3370 4502 3895 4888 5446 4963 275.1891 275.1892@2.117 4665 275.1892 275.1893@3.576 11422 10914 275.1893 275.1985@1.114 13993 18388 10883 275.1985 275.2048@1.1197001 1968 3963 35914 3141 3228 24081 2586 2436 14751 2957 275.2048 275.2119@1.121 2755 275.2119 275.2205@1.191 4818 275.2205 275.2253@1.1954 12398 12965 5110 7971 8743 275.2253 275.2698@0.827 10695 275.2698 C6 H3 Cl3 O2 S2 4139 4675 3547 4118 4271 4139 3832 4147 4526 3831 4015 3929 3892 3911 3749 4352 4142 4328 3441 4063 3989 3354 3816 3525 3635 4514 3551 4136 4077 3846 3990 3840 4541 4386 4226 4015 3972 3737 4079 4149 4311 3937 3662 4266 275.8648 276.0459@0.865 3101 276.0459 276.0481@1.6505 4543 4942 276.0481 276.0838@2.8161669 6161 6795 3768 4920 67986 68506 5091 4653 50884 50456 3334 3383 276.0838 276.0973@5.5936 12855 8059 2665 14283 2767 276.0973 Glu Glu 12123 15896 10748 4691 5888 13001 16905 4710 17230 15957 19684 4306 7869 4592 6508 9435 15376 12764 16862 5677 5735 17317 6106 7520 4304 13742 7290 5508 18041 15390 17933 6521 6488 5379 5245 5719 4940 7307 5532 4319 5943 14130 276.0981 URSINIC ACID 19773 6881 21241 2270 8477 20727 3932 8072 6030 4560 16210 9525 19275 4553 4041 5271 18543 19462 3592 3404 18194 21322 15571 18569 12994 19631 12587 10318 18732 9325 5124 20393 7946 4779 15924 20938 12651 5857 21451 15543 3785 22106 14248 16286 19886 19366 19772 19620 19673 19566 11024 20012 15802 20775 19095 19339 3877 13070 13780 4753 19393 5439 3477 15751 12895 21046 21739 20094 20509 13149 12964 17347 21190 19593 20056 18578 19059 15668 14494 18860 13406 20769 19637 15752 14914 14997 11074 6154 19109 19042 276.0983 276.1111@6.6645 2624 2742 276.1111 276.1123@1.265 3032 276.1123 276.1215@3.9869998 1531 1344 1518 1552 1307 1204 1378 2230 1956 1359 1846 276.1215 276.1257@1.063 2035 276.1257 276.1305@1.0796088 2498 2606 1374 2891 3041 2960 2123 3217 2481 4523 1949 2615 2322 2176 2697 2253 1930 1952 2233 1988 2039 2388 2309 276.1305 276.1319@1.1600001 1779 1957 276.1319 276.1368@1.0987272 10315 11155 3970 3423 3658 4409 4108 4646 11545 12321 1984 2083 1889 2197 2832 4064 4928 8978 3546 1698 2246 2530 5504 2181 4326 5831 2543 5858 4720 2151 1537 3580 3557 276.1368 276.1369@1.1054001 10666 10747 20845 7626 9319 276.1369 276.1387@0.99300003 10939 10138 1980 1840 276.1387 276.1513@1.68 8337 276.1513 276.154@1.428 5281 276.154 276.1694@10.922833 3115 3552 3008 11292 11136 3359 276.1694 cyclandelate 11459 10906 10153 12133 11893 13165 13600 12412 10090 12443 12598 12328 12683 11864 11290 10892 11644 12561 11085 12477 12351 16362 13376 15832 16195 14936 15723 15230 15406 15609 11862 12213 12335 12297 11844 13124 11871 11922 12036 11907 13189 11832 10536 12725 15152 15536 16464 16686 15094 16100 15929 14889 15989 17091 14668 14738 15905 15455 4451 4542 11925 9794 12281 12648 11387 8498 12949 11581 11269 12568 15006 15679 14447 14967 16664 15262 15786 24343 15786 16617 15759 15815 15964 13706 16483 17114 15224 16256 16808 16640 15791 276.1699 276.1732@1.168 3339 276.1732 276.1812@1.018 3065 2756 2345 2114 276.1812 276.1916@1.199 2861 276.1916 276.1969@1.13 6387 276.1969 276.2064@6.737 2158 276.2064 276.2072@1.0981212 22455 23442 13238 35446 20900 21294 15783 7130 20127 5510 50610 43565 14050 15647 19010 17129 16457 24594 10194 18007 3147 23660 26943 4569 27271 24492 26119 6403 21243 20598 15832 16796 276.2072 3,6-octadecadiynoic acid 34122 35461 342517 346908 26755 25799 28655 24728 35051 34021 14139 27236 32769 72301 34130 38092 45639 16008 3478 15412 35504 21726 25544 77730 33235 19789 21145 22211 30736 29865 18216 32206 36173 30535 74309 36731 26692 17248 18751 17279 27217 58021 58557 35092 26263 24688 58355 30563 31999 26973 27072 26913 48535 44263 36646 37402 29100 29600 28796 27998 51167 12441 45300 34151 36320 25089 18044 31231 27634 276.2094 276.2102@1.149 16091 276.2102 277.0076@0.839 4554 277.0076 277.0092@0.8024375 13694 14551 24718 25883 46044 47995 3388 3268 18317 18111 12650 10564 11180 28141 30413 277.0092 277.0531@5.819 2392 277.0531 277.0623@0.8941667 4055 3941 9736 11147 14634 12909 277.0623 277.1236@1.2160001 5646 7181 13930 10785 277.1236 277.1264@1.196 1548 277.1264 277.1302@4.794 3209 277.1302 277.1448@1.1029999 7146 5589 277.1448 277.1546@2.67325 12757 7299 11813 11518 277.1546 277.1552@2.7223332 4806 4551 6440 277.1552 277.1828@1.1605 1642 3795 277.1828 277.1932@1.1596 1900 2766 2857 6601 11089 8825 6173 4209 3054 4157 277.1932 277.198@1.1586001 3408 3010 1705 3816 5141 277.198 277.2041@4.294 4667728 4763156 277.2041 277.2094@1.0964545 14233 1984 53956 31903 32572 19596 1453 3333 7570 11954 277.2094 277.2416@1.1827999 70844 55908 30307 59544 57833 277.2416 277.8648@4.293 10648 277.8648 277.9992@4.292 6632 277.9992 278.0591@0.878 4117 3363 278.0591 278.0655@2.8166077 3417 3609 3978 3279 3370 3563 3762 2762 3516 3798 3193 3485 4785 4461 2537 3435 3470 5748 6386 3302 3326 3017 3071 3917 3762 5186 5011 5347 278.0655 278.0718@0.8635 4533 4430 278.0718 278.0752@4.293 7019 278.0752 278.0776@2.078 77581 278.0776 278.0781@1.5695 3696 20631 278.0781 C15 H18 O S2 86389 83070 16027 16173 8865 8718 29755 21672 5511 6802 70784 57872 55190 53257 7168 6457 8626 13125 3584 4054 15047 10027 10140 15825 21184 21038 3659 4026 111887 112299 83032 74621 22353 28085 12550 12790 304856 320159 22581 31845 4128 15979 171069 168107 134721 140645 46083 46856 60208 64356 29002 30656 27288 36475 12711 12986 83186 80327 130664 135657 242305 241807 4922 10107 4567 4514 158716 159020 19355 19432 23837 23668 37612 39326 101468 100754 30443 33323 63808 54052 51235 30373 30874 39557 40513 7965 7392 23828 30423 278.0782 278.0845@5.175 111152 112303 278.0845 278.0888@1.2018182 63842 64968 4877 38093 42064 4199 12312 13086 13235 27878 34302 278.0888 278.0898@3.1190002 5619 5945 7959 278.0898 278.0984@1.2006667 2918 3797 3748 278.0984 278.1067@0.813 2662 278.1067 278.1178@1.237 13011 10157 278.1178 C13 H26 S3 1423 3318 3345 1613 1572 4485 4940 3778 3174 2568 2458 1723 1902 3757 2709 1426 5012 5370 3298 3299 1631 3761 4141 3194 2995 2707 3266 3215 1964 2442 2485 2507 3133 2065 1636 2054 1598 1610 2291 2299 3580 3582 1740 2114 1682 4149 3789 2184 2735 278.1188 278.1233@1.2248571 59304 5694 7530 3705 11064 4709 5006 278.1233 278.1265@2.027 3115 3673 278.1265 Pro Tyr 23510 16485 14520 17274 42737 44872 22318 26924 26399 27351 5551 5949 24064 25232 10666 10617 12390 12236 7759 7648 261918 231648 52272 5016 45667 29828 15774 20391 7299 6792 31013 20865 19880 17068 4984 9157 9732 10493 40322 28915 5971 3146 8027 7990 20776 21277 8901 8185 25985 28834 24278 22653 6092 7425 11114 15354 34103 34433 26510 24918 11812 11723 65829 64813 2990 8880 8667 27487 23670 26191 13842 5609 14182 14773 16547 8570 5662 24458 20871 278.1289 278.133@1.3695625 4238 5986 4072 27616 30909 8460 13066 4763 3517 7063 5775 9297 6939 7413 2639 2670 278.133 278.1382@1.423 5489 278.1382 278.1522@1.13 2716 2499 2387 278.1522 Phthalic acid Mono-2-ethylhexyl Ester 36895 38929 32126 32036 22984 22565 21539 21450 20727 22164 35832 36871 31433 32479 36407 35164 25944 25852 42315 40241 21932 22366 33982 32854 33537 35211 15964 15848 23584 23844 22787 24008 27266 25816 23354 21023 29578 27013 25065 24771 16053 16838 27900 27896 21020 22684 24510 23823 27754 27077 27077 26831 28339 27358 27198 27125 22145 22035 30099 30510 32676 33606 26415 25468 25771 23970 17913 17076 14735 14005 29141 25764 32331 33172 25650 26928 25209 29289 23225 23423 24572 27161 27899 27388 24615 25730 38467 37426 25780 25317 33054 33406 278.1534 278.1546@1.135 4343 6462 3293 2087 278.1546 278.1613@1.3139999 17307 16033 278.1613 278.1835@1.317 2763 278.1835 278.1938@1.203 3435 2844 278.1938 278.2055@1.164 4878 278.2055 278.2082@1.161 1800 2181 278.2082 278.2193@1.1816667 10957 3085 3395 278.2193 278.2238@0.889 2785 278.2238 278.2245@0.85749996 2123 4824 278.2245 278.2245@1.1576 262062 19838 16150 16454 8777 278.2245 10,12,15-octadecatrienoic acid 287927 257466 75150 146012 387526 570989 320480 326149 177702 176986 144739 192076 628734 643889 57188 59622 577139 653296 423140 414220 392004 453588 69286 64847 317811 225325 347531 335846 226294 261678 235951 233940 280599 285327 117055 112344 169577 107637 190538 185575 217004 343989 122132 85341 536850 453077 353342 255277 183420 215873 89663 91310 92910 93039 363249 282707 293476 293807 411416 218323 257388 277903 385098 385651 127148 129751 232414 235853 773017 764887 583988 607209 293021 287129 283643 276847 866510 186761 546778 308618 528551 151406 113844 137010 130621 129224 380775 459620 301199 299519 78135 76204 278.2258 278.2328@1.174 22409 278.2328 278.9698@4.285 1824 278.9698 279.0426@0.8081667 12016 11976 8040 7431 11289 11168 7463 6894 9128 7973 8011 6470 279.0426 279.0429@1.1305001 20754 19760 279.0429 279.053@0.935 1713 279.053 C13 H13 N O6 25602 25726 18249 19468 10359 11250 54130 57096 19409 18098 12239 12160 19300 20319 14319 14244 16094 15661 11096 12858 12267 13237 15305 15509 12060 12405 11215 10358 11393 11562 23987 22834 11141 11224 6901 7124 11021 10462 18173 18757 15483 16326 11549 11416 13750 13319 15276 15746 12292 12224 13185 13479 11924 12091 9501 8155 10396 10906 22061 21245 13942 14939 12585 13529 7762 7782 14569 15010 12215 11622 17624 17376 9048 9211 14369 14286 23204 24038 19691 19651 16630 20487 21050 22021 22564 24119 25129 28232 27281 33699 32260 279.0736 279.0736@2.724 12210 279.0736 279.0852@3.584 8133 279.0852 279.1138@2.0495882 4492 2337 5068 5549 3283 1833 5777 2528 1923 5758 4004 4849 4871 5470 3762 7795 3397 279.1138 279.116@2.0767744 4988 7239 3088 4938 1963 4294 2482 2299 3034 6610 7259 6321 5736 6992 2411 3653 3683 4326 3622 3741 3602 4481 6277 6034 3247 4697 2661 3420 5674 4826 4718 279.116 279.1374@1.2454 2629 90147 85886 193713 183604 279.1374 279.1378@1.448 15592 11282 279.1378 279.1384@1.357 3597 279.1384 279.1448@1.2284 2681 3521 4194 2031 7685 279.1448 279.1487@2.795375 18944 15379 79773 80795 8238 13892 65254 61506 279.1487 279.1488@2.832 7421 279.1488 C16 H17 N5 31311 32725 24245 23703 85541 85735 21465 21895 47092 47944 11471 11246 62093 58295 19400 20130 49969 49096 50873 52692 25870 25326 15212 14642 73068 73074 97566 94820 20986 20820 54889 55505 40847 42090 39190 38446 55150 53710 13768 14206 40932 39015 54600 5719 5822 24026 24060 22000 22030 50350 50672 34991 34505 57100 56998 68524 70634 22784 23448 19710 19828 168273 171410 27143 27287 30991 30314 37027 36767 20472 20332 16831 16026 30898 31243 7002 6520 24097 23758 24015 67693 65546 14405 14537 7490 7620 54443 53015 279.1492 279.159@1.1225 3790 4064 279.159 279.1615@4.1545 6244 5722 279.1615 279.1629@1.2074286 1566 6189 1781 2766 1512 3984 2464 279.1629 279.163@4.33 406756 398688 279.163 279.1711@1.208 3559 279.1711 279.1771@1.2026666 2031 2019 1792 279.1771 279.1841@4.6745 2607 2200 279.1841 279.1848@4.9605 16649 12164 279.1848 279.1849@5.012 5319 279.1849 279.1853@4.559 32566 31573 279.1853 279.1856@5.1724997 10762 10929 279.1856 279.2313@1.1448 3066 6695 2224 2867 2637 2742 1930 2884 3049 3364 279.2313 279.2355@1.1500001 2629 2609 279.2355 279.2528@1.186 3874 4090 6806 279.2528 279.258@1.191 298808 305416 109630 106583 2359 2470 177759 179280 6908 279.258 279.2911@6.52 1614 279.2911 279.3025@4.331 6646 4602 279.3025 C8 H12 N2 O3 S3 6091 5401 9301 8966 5392 4033 4035 3606 5994 5165 5529 5568 3343 3249 4094 3065 4291 4449 3148 3694 9150 11729 7198 6262 4551 4192 5912 5652 7032 7758 7125 6031 4151 4916 6725 6437 4239 3899 5586 5112 6246 5933 6450 7004 4591 5963 7956 8117 9316 9338 9159 9277 8060 7579 7688 7146 8607 8839 7037 8306 5140 4708 4930 7383 5045 3844 6589 6466 5302 5211 5834 6946 8240 8191 9341 9539 6547 5123 7720 9010 8453 8234 5454 5543 8096 8682 7614 6150 4526 5210 9251 9124 280.0016 280.0036@5.561 1792 280.0036 280.0641@1.966 3188 280.0641 280.0716@1.5367143 2271 7676 8125 2025 11593 3863 3915 2646 10138 9031 6483 2362 2061 8780 280.0716 280.0772@1.548 2036 4003 4365 280.0772 280.0932@3.7680001 2448 2588 280.0932 280.1002@5.281 5032 5313 280.1002 280.1249@6.315 10612 280.1249 280.1333@4.2696667 2681 43937 47421 280.1333 280.1333@2.04475 19266 20029 24043 15762 280.1333 N-HISTIDYL-2-AMINONAPHTHALENE (betaNA) 34172 34972 44429 45135 20969 13966 62131 62199 42764 42801 17099 16439 5499 23084 19693 19112 11457 11556 12242 23712 26352 24848 25080 1667430 1739553 16314 20864 11885 13749 29681 26229 36083 36644 27131 28431 47001 44608 23120 25859 41011 34272 14143 14989 13508 16264 21076 20438 19656 12346 18719 19989 20334 20541 36729 33788 12798 15888 30156 28949 9894 14744 45338 45873 19057 19682 20451 19625 18184 15574 34459 28279 25239 33242 29059 29744 19098 12434 18314 10730 9687 13933 17247 17804 17567 22481 20246 13818 31130 29777 19543 14777 280.1351 280.1383@4.369 2777 280.1383 280.139@1.1325384 18863 11780 5508 10066 5257 8087 7976 11526 6864 5945 8033 7223 4646 280.139 280.1433@1.1489999 4753 2764 3123 3908 3859 3550 5400 5154 3560 4991 5055 280.1433 280.1516@2.7673333 2704 6421 13374 280.1516 280.1516@2.839 6177 280.1516 280.1534@1.166 5483 280.1534 280.1549@6.3996663 22997 26547 7235 280.1549 280.2211@0.94799995 4187 4410 2056 1445 4670 4099 2645 1873 3439 3309 280.2211 280.241@0.8565 25358 24153 280.241 280.2412@1.178 2566 280.2412 280.2414@1.1281 9032 4174 63971 25337 9334 31056 20611 5669 8713 16120 280.2414 12Z,15Z-octadecadienoic acid 216224 214662 121867 119103 499267 490885 226064 249475 418130 421708 476911 481161 486272 483603 105372 109477 557658 551608 247545 250193 294590 292155 150340 153528 352923 348591 426452 413999 522908 531241 531398 528262 220005 213997 379504 374077 260286 267050 240564 241736 390282 399525 79451 145363 657877 649310 429187 430307 455692 453678 143939 149275 196767 221610 211461 210053 698998 690551 497130 499708 262221 263734 337882 332610 334085 342351 291916 288789 715966 672369 368261 371428 250637 253084 281453 279993 1181835 649002 1200896 540146 530864 264121 260210 250493 292417 295409 200002 206029 286419 317925 237545 233351 280.2419 280.7987@1.141 3031 280.7987 281.0462@0.911 4540 4080 281.0462 281.0582@0.91 3967 3669 3579 281.0582 281.0673@1.20575 2300 2152 21726 22834 281.0673 281.0693@0.774 4185 3990 281.0693 C11 H23 N O S3 5281 4792 5288 5182 5921 6138 8310 8407 4325 4613 5869 5730 6593 6436 4747 3863 7589 7188 2926 2876 2646 2765 3603 4143 3525 4104 3073 3450 6378 5939 3693 3970 3746 3621 3542 3709 5731 5091 4181 3894 3548 2778 5448 5485 4159 3985 3955 3457 3886 3888 4617 4817 4586 5842 3046 2922 6499 5901 4812 4519 4028 3513 3721 4083 3676 3063 4190 4692 5641 5206 3065 3650 2990 3220 7075 8060 5792 5977 4027 2951 3345 4359 4026 4286 3750 5089 4920 281.0954 1-Methyladenosine 49564 52077 58832 60371 49828 49573 60578 62435 50766 51553 45883 47904 49620 50148 55408 57972 41756 40647 46440 44932 36878 38715 40589 40122 40414 41660 44810 45820 41822 37373 56863 55286 31591 30152 40746 38553 42761 42675 47152 48725 43905 44609 31945 32545 41743 43147 40787 41696 31995 30549 50382 49096 36936 35529 33472 32269 37740 37273 58565 57808 37498 39218 37225 37368 36272 37578 39913 41162 38085 39417 46444 48765 32464 32888 40075 39110 47788 50248 31829 30073 50646 47145 50830 39212 40865 47800 48037 32715 30805 53485 56438 HMDB03331 C02494 281.1143 281.1146@6.139 3577 281.1146 281.1177@1.42675 10987 9440 17505 16610 281.1177 281.1202@1.634 4079 281.1202 281.1295@2.04 5453 5165 281.1295 281.1346@1.174 2350 281.1346 281.138@1.1076666 1823 2828 2823 281.138 281.1536@5.5015 6107 5792 18734 17646 281.1536 281.1537@4.4625 6383 6143 11347 8956 281.1537 281.1537@5.713 1933 1962 281.1537 281.1621@1.3065 4148 4915 281.1621 281.1641@1.244 4656 281.1641 281.1665@6.329 15054 281.1665 281.1699@1.2114999 3862 4186 281.1699 281.1981@1.1692858 2848 3773 6547 1686 3735 3555 1618 281.1981 281.2056@1.1491333 1921 3680 2792 2953 4522 3475 3198 4156 3484 2567 2136 1822 7365 3401 3087 281.2056 281.2093@1.148 3087 3759 1219 10867 281.2093 281.2511@1.107 2816 281.2511 281.2687@1.181 17019 281.2687 281.2738@1.1131667 572800 588128 203889 202550 212938 211323 281.2738 282.0799@2.679 5287 282.0799 282.0983@2.446 5234 282.0983 1-Methylinosine 39867 41116 31753 31123 30942 29723 71775 72432 19985 21294 28084 27822 41707 40361 19802 20409 22017 21156 20228 20124 15314 17851 26925 26917 20825 20774 24338 23312 14520 14814 23641 28646 16428 18256 23967 22422 26087 26283 32082 27336 22874 21687 15856 14059 27557 27747 15991 16038 8941 13315 23646 23717 13056 14312 15765 15787 20384 21137 57634 60642 15988 15332 17954 18273 14757 15569 17740 17062 15472 17387 32349 32839 13533 12813 16493 17603 31679 4698 34837 16020 16828 32830 33422 34461 22039 18659 37759 38673 28300 27897 30374 30137 HMDB02721 282.0985 282.0995@2.73 12803 282.0995 C12 H23 Cl O3 S 11622 27926 66806 22080 8620 35146 14604 8612 8218 24900 7325 6038 54946 21108 5062 4850 9201 10626 7842 6487 5995 4949 13012 10075 5651 4812 19316 21257 6858 45332 49249 8369 8926 19021 4738 4202 3309 35466 36048 23160 22637 6046 5833 47561 48683 7940 7427 10870 8583 40432 37087 6771 5792 33171 9708 8115 8106 52592 32310 6211 31928 66797 69131 4577 12499 12316 46184 12780 13705 8817 9252 5681 6279 5707 17268 9225 18807 10537 38565 35944 37861 82878 11252 50396 77204 20955 20908 3505 3476 8638 9787 282.1042 282.1044@3.009 2755 282.1044 C10 H22 N2 O3 S2 29831 24174 106138 22126 24052 30160 19738 21152 55531 17160 17400 19399 18629 32900 22012 19430 20600 23805 20172 18667 18296 26161 26535 4889 14878 17567 17678 9787 10544 8093 7891 30397 16774 10677 21615 18393 25878 30671 11191 14341 16967 19407 8911 30240 28712 25125 9249 21049 13406 13466 12815 45484 11663 38623 38775 17458 17704 20876 19635 18140 29948 28625 11296 12139 53506 9097 10674 93345 71919 20854 20805 59554 56610 282.1046 282.1088@2.9732103 9041 7281 2639 5866 5763 57610 58964 2970 5935 6889 5051 4221 3277 6289 2312 2216 3351 6957 7145 282.1088 282.11@3.1343334 25161 21667 3931 282.11 282.1518@1.082 3453 282.1518 282.1614@5.1615 15330 14803 40877 41235 35983 35580 36073 3615 282.1614 282.1619@1.072143 11878 6261 1720 5327 4642 3835 2944 282.1619 282.1633@6.7270494 4392 4225 4932 7378 5841 5593 7471 7117 4484 6029 4777 4184 4174 5061 5211 4324 6068 5052 6724 6396 282.1633 282.1684@2.178125 17140 7579 3075 5919 4830 10980 1750 2587 282.1684 282.1687@2.167 4405 282.1687 282.1688@3.6676667 3898 2649 4415 282.1688 282.169@1.742 3765 282.169 282.169@0.9128 10750 2107 4030 1777 3865 282.169 282.1692@0.7106666 35440 2191 3265 5298 1924 3504 282.1692 282.1692@4.133 3063 4086 282.1692 282.1692@3.771 3546 282.1692 282.1693@1.1983999 4282 7967 19940 16175 3497 282.1693 282.1698@2.6963105 3985 5661 6833 6005 4739 50656 95704 9622 13270 37473 8499 603856 73992 52908 10515 6173 4949 60383 4356 5683 8831 5337 440865 443297 7854 4380 2235 93122 41705 282.1698 282.1699@3.279 2302 37683 282.1699 C13 H22 N4 O3 46439 18330 45963 47325 65921 64010 67208 71321 44110 51242 5944 51115 58631 92372 39407 340890 52589 33533 28471 98009 93503 63391 62354 97046 94006 5858 50655 53321 2083086 2078849 87112 82998 224477 230383 127194 121497 75165 85427 12682 34844 117050 107423 94653 100652 45551 42466 28630 26372 32857 33080 38689 35297 76217 75981 134427 143296 14781 40659 154233 169896 45261 41815 84373 80977 696580 728973 37493 42425 56131 54564 21085 25886 308806 317446 33259 41347 31621 43424 45837 43384 38019 155265 151953 6485 282.17 282.1702@2.66625 36360 94639 2905 61356 282.1702 282.1739@6.259 18754 282.1739 282.2353@0.854 9801 282.2353 C21 H30 5152 4719 5709 6834 22726 23695 15857 15476 5108 4781 4233 5048 4263 6957 6786 11273 11431 3571 2916 11308 11462 8679 9659 7872 7638 6376 6490 20207 18725 3018 3864 4372 4363 27342 12378 6849 8370 6933 7039 3612 4160 9694 10085 7672 7931 14318 14313 9997 9230 15259 15288 9843 9818 4201 4562 11438 10494 10799 19410 21119 12766 11379 2982 7729 6625 282.2356 282.2458@1.1 1939 2093 282.2458 282.2528@1.058 15509 22456 19259 12700 12799 282.2528 282.3113@2.596 3259 2863 282.3113 283.0125@0.90024996 3723 3600 5796 5562 283.0125 283.1018@2.435 4084 283.1018 283.109@1.1346666 30434 12222 26185 283.109 283.1101@2.0319998 16271 5172 3613 283.1101 C11 H25 N O S3 11389 18519 17437 4681 11395 13385 7648 2305 46672 33877 8894 8954 6990 6985 10687 10548 9149 16702 17719 6859 14000 8114 11266 15201 6636 15400 10226 16413 14614 12768 9974 11100 12763 14275 28309 29724 11917 11234 16223 31579 18686 13310 16536 16458 10603 16975 16315 20343 27251 7267 10958 11454 16079 3639 17702 16061 14209 15021 39338 25398 28016 24914 11516 30499 14437 11236 36797 29996 283.1114 C8 H21 N5 O2 S2 17575 16271 13314 9044 7204 8798 8733 9137 8380 12790 10707 11356 8524 8891 7342 9455 10983 9402 10951 19575 17925 8207 7202 8188 13598 12200 13240 15665 9819 13408 18861 8702 5735 14074 13549 12339 13506 10630 15595 12622 19462 18989 9069 8214 11358 16513 17125 16924 11060 10132 11962 12116 13611 7313 9972 8841 9639 11285 8193 29930 30430 28988 39717 29996 31435 25328 24360 11266 1952 4745 37323 283.1117 283.1142@1.044 2017 283.1142 283.1191@1.1304001 3345 2613 2610 16299 11958 283.1191 283.1274@1.2 13054 283.1274 283.1348@4.5290003 7146 8297 2291 10399 10266 283.1348 283.1349@1.203 2181 283.1349 283.1418@1.216 1822 283.1418 283.1729@2.618 12680 3567 283.1729 283.1785@6.3253813 2765 2022 8240 4828 12446 4053 4445 5900 6824 3754 4843 30467 30077 17025 15761 30137 27769 10730 10887 20846 20567 283.1785 283.1788@1.0828333 2791 7767 5538 1942 5362 3233 283.1788 alpha-Hydroxymetoprolol 17271 17195 5838 5686 7309 6169 20743 21862 11598 12167 6640 7172 15338 14255 9255 8523 14791 14852 11862 12774 12196 13605 9026 7970 19907 17172 19556 19060 8593 13962 8544 11248 10773 4465 4025 11578 11882 14730 14081 13608 4427 5444 20604 20329 9166 8632 9986 10250 9318 9253 8999 9999 30020 28402 10928 10701 9632 10597 10256 10410 10947 10749 5470 4933 14882 13701 14328 16632 13163 12437 9955 9019 26912 27383 10612 10667 29956 283.18 283.1805@4.5244546 100175 105184 36710 37353 76191 76248 33221 33840 64004 62529 68055 66847 73843 77905 46664 46494 139193 140519 67975 68509 128203 129178 283.1805 283.1821@0.8125 6538 7381 283.1821 283.1996@1.203 1586 283.1996 283.2381@0.87 6228 283.2381 283.2499@1.161 2478 283.2499 283.2568@1.163 3952 5227 2419 283.2568 283.2801@1.0905 3355 3507 283.2801 283.2853@1.0895 5074 5413 283.2853 283.3248@3.9165 5372 3367 283.3248 284.0375@0.72790915 4516 4661 2954 3062 2979 3063 3804 3590 4766 4935 1845 284.0375 284.0726@1.231 3265 284.0726 Mazindol 47234 36108 45106 45153 42488 44607 30247 30503 56297 54314 46247 51201 9865 9687 2801 6932 65260 67426 56932 52077 62942 63772 59130 61382 33093 33923 41641 40054 63370 64843 42731 41459 60332 60041 78649 78429 49901 51240 49167 49524 71900 72126 20203 21276 32457 34600 57014 59303 58679 58738 44964 46101 24026 23090 61174 61738 58232 58887 45851 47066 50404 48289 49495 50484 64156 65645 44412 43966 51830 52618 35509 35290 62927 66827 56452 56901 54264 58145 50995 52248 50922 53876 54898 36408 36830 35749 38758 51752 50975 40200 37319 284.0729 284.0737@2.1088333 3680 4461 5363 2698 3658 3401 284.0737 284.0753@2.414 3510 284.0753 284.0802@2.1195 9870 2160 3103 1866 284.0802 284.0856@1.629 4035 4102 284.0856 284.0921@5.542667 2714 5806 6579 284.0921 284.0938@5.523 2951 4879 4098 3416 2918 4975 4538 5924 2891 1609 284.0938 6-Formylindolo [3,2-B] carbazole 1559 1437 23212 23109 8353 7846 25342 25512 4737 3505 35272 35050 44520 44393 5961 6344 27558 29048 12925 13354 1997 31990 32681 14090 14385 4985 4380 13343 13563 42232 42439 20788 20255 48073 47636 20562 20959 22320 22335 25657 25999 13715 13067 10707 10850 13024 13838 23972 24944 3652 2804 21638 22883 11478 12052 15796 16665 19445 19120 14913 14750 30534 30335 23418 23839 27176 26295 19730 19003 15261 14917 15334 14116 15213 20063 21010 21477 2503 8814 7389 2362 2171 27719 27732 284.0949 284.1008@1.4649999 3373 5961 12809 11291 284.1008 284.103@1.426 6823 5219 284.103 284.1094@1.36875 5163 2998 2556 5953 284.1094 284.118@1.147 29539 284.118 C8 H21 Cl N6 O S 30771 32808 42880 41997 21032 20601 13347 12686 12044 19808 19235 18694 50360 50173 19053 18779 11063 10892 11927 12143 19449 18593 9297 8563 30331 30869 17826 17003 19142 17985 37031 34994 25961 21822 14531 15865 18136 16600 42520 40242 19534 19982 12063 11100 30145 29846 22783 20820 27106 26860 39491 40950 16461 16799 28910 29771 24942 24033 32107 3700 26295 26069 50700 51215 12158 13166 28794 25659 31377 31881 15909 17087 16156 16924 16089 16415 27675 10044 25691 29954 30238 34129 64029 65634 7264 42053 24040 1938 60345 284.1185 C21 H16 O 18216 2102 2025 5499 5141 10278 11141 6109 35938 3689 3942 4346 5907 6481 3480 2616 1928 3838 3109 1981 10252 9397 3593 3649 1905 2203 2529 10509 12516 1986 3671 3435 2750 11641 4553 15822 2761 2620 3324 8320 2663 2466 4297 5296 3181 3731 2028 1696 14164 3105 50240 23372 284.1187 C9 H16 N8 O S 15314 14675 20310 2437 11150 4053 3210 38488 5342 10205 16544 16041 17855 5111 8868 11291 17460 16402 10045 11098 16680 13764 16995 11786 12053 15651 17091 14128 15041 9513 3733 4476 10873 2131 2117 12870 22648 19851 13188 12428 19095 14123 3277 16898 13429 4073 12339 18749 14879 16366 16819 9763 8701 12013 11235 10140 10471 2813 13350 21817 20845 23452 39517 34441 28427 60398 94607 52169 2192 17156 36583 63177 284.1189 284.1208@1.4285 6764 5271 5301 7342 3190 284.1208 284.123@6.936 1240 1485 284.123 284.1274@1.049 2305 284.1274 284.1283@2.7565 8890 8736 284.1283 284.1286@1.407 16881 284.1286 284.1407@1.2133335 3141 2263 3345 284.1407 284.154@1.2125 2607 2099 284.154 284.1577@1.211 2257 284.1577 284.1585@1.2118336 2019 1727 5304 5934 2482 5388 2259 2377 2368 2087 4018 4090 1465 2541 2170 1880 2718 3065 1715 2483 3279 2653 4230 2584 284.1585 284.1724@5.716 3715 284.1724 284.1726@5.7624545 1907 1455 1676 1379 1667 2710 1706 2577 3224 1553 3135 1984 1797 1897 2145 2615 1522 1784 2386 1247 1568 1519 284.1726 284.1731@1.2133334 2199 2404 7447 7083 4757 2950 5073 3172 284.1731 284.1936@1.121 2770 2112 2909 3790 5030 284.1936 284.201@1.268 2442 284.201 284.2024@1.0405 4945 6021 284.2024 284.2082@1.4405 9144 6578 284.2082 284.2229@2.491 5027 284.2229 284.2229@1.247 4069 284.2229 284.2481@1.1753334 7036 2019 2066 284.2481 284.263@1.06925 1741 3226 2516 1554 2559 2493 2599 4254 284.263 284.2659@1.0718334 2284 2708 2470 3130 3310 4576 284.2659 284.2846@4.5045 19404 19523 284.2846 285.0691@1.2135 29408 28099 285.0691 7-Aminoclonazepam 187264 192093 206097 202600 198261 201308 126989 131661 258289 248458 233137 234527 42726 43803 15944 26369 296467 326611 267990 278154 286189 295578 273381 280257 152805 153145 189693 187837 303392 302339 178987 189386 264060 278783 371573 366775 100755 236157 224818 215656 332883 337453 91260 94794 159315 154471 243496 271393 274176 274793 207364 204728 107674 105348 288010 289084 270105 277140 212446 210655 234205 239479 225030 228866 304005 304669 208997 209671 138681 245745 159824 152456 293246 309938 259752 263885 240268 259250 237679 232431 236417 248359 249973 161563 163763 163315 164463 241174 243585 177605 171505 285.0693 285.0702@2.0823333 10903 35151 105502 285.0702 285.074@2.411 10423 285.074 285.0815@2.1155 27831 40014 285.0815 285.0925@2.1414707 19140 9489 18815 25517 21456 14964 17787 19159 29849 15352 8592 12527 11915 12759 13699 29245 25303 285.0925 285.0929@2.147 23349 20338 12845 22680 21087 13294 8579 15317 285.0929 285.0936@2.2708333 8447 8658 3710 19754 2343 3412 285.0936 C15 H15 N3 O S 41600 43705 22637 32226 40121 43215 114095 114696 8889 23201 37945 40749 64969 62027 35073 34870 42699 37905 19815 18147 9211 5687 25667 23327 34416 26786 37233 31921 36556 44783 7458 9146 5993 14117 29168 32682 28535 6551 9413 33718 9449 20573 20784 6910 16485 24248 24210 11519 26290 17015 14042 15301 4558 26979 74356 89353 33115 40148 32467 37455 16827 11860 18621 8857 13893 18386 52533 56765 35955 40278 5882 21695 8780 16836 15372 56106 57363 33427 27922 31515 65206 63134 42058 40248 31663 32100 285.095 285.0993@2.242 2530 285.0993 285.117@4.6772504 15583 16639 7094 7040 285.117 C13 H20 Cl N3 O2 7190 7183 7555 8451 16217 16040 336100 340583 3702 2714 10238 9329 4366 4617 3017 3304 7236 7609 4806 4684 9840 9033 3814 4371 5181 4844 3287 2801 3589 3373 6217 6004 4758 5054 2581 2597 6024 6418 3720 3576 6251 6229 4753 4296 15130 15316 12115 12495 3622 3424 3578 3867 2284 2260 5592 6219 140117 138420 7294 6963 285.1232 285.1376@1.1575 511098 85508 71786 73718 4702 3485 12438 26782 914983 891359 1715956 223190 220376 1621738 285.1376 Norcodeine 785798 1264552 86741 728753 733997 396844 412568 584523 514786 140121 138785 298288 292602 833225 827399 161218 155359 314269 313282 1550555 1630891 108669 110675 561102 490022 359581 353127 630620 631867 94915 94261 1009270 974822 1754839 1678945 449059 435465 255042 249228 564421 569250 140481 139159 327063 326570 194793 198063 1971477 1858436 685629 689267 305000 306044 398037 391136 1216741 1168611 337911 325215 302305 309007 956835 986044 3056745 3090202 57522 54405 417356 408587 295262 296797 581599 581188 275179 272953 957709 655497 950820 3870971 3872699 2461959 2476810 2438847 1708489 1599976 285.1386 285.1389@6.367 4843 285.1389 285.139@1.67025 5395 3964 7116 5233 285.139 285.1417@4.87375 13359 13179 17202 17754 285.1417 285.1417@4.93075 10156 9921 19904 18978 285.1417 285.1478@1.207 4544 285.1478 285.1882@1.194846 8347 2106 2780 29486 39023 29879 26390 9805 5003 44895 34998 41384 285.1882 285.189@1.2119999 6416 36867 285.189 285.1912@1.2306666 13049 8576 3695 12398 9357 8741 36124 11221 3913 285.1912 285.1957@6.3435 6662 3098 285.1957 C16 H23 N5 627849 646853 170850 171199 305655 301936 998807 1010011 452570 453459 241648 246612 572750 572270 275946 281225 593272 590906 552931 562411 486644 488259 279398 281324 535810 524455 688921 667624 335562 337611 425481 427063 465159 461897 189650 191556 644152 641548 505756 510058 588539 594485 209868 211252 828596 836831 337137 349558 440603 437395 388235 387536 467589 471888 1149550 1124997 418975 413893 416816 416421 184125 187994 481760 481749 548298 556254 233198 235456 574623 560407 621200 635761 698183 705246 347041 345248 1191915 1209039 364704 365068 1017074 997185 982091 761985 760848 1146422 1138176 425877 423262 759932 731480 285.1966 285.2053@1.231 2035 285.2053 285.2125@1.2054999 2934 3216 285.2125 285.2171@2.0475 8839 9219 9300 9059 9323 6826 8334 8146 9192 8470 10796 5972 285.2171 285.2194@2.046591 11168 11012 7531 9492 12374 14004 7150 8240 10134 10351 8227 9882 11599 11026 5481 10158 10515 3804 3485 2980 6560 285.2194 C15 H31 N3 S 5710 4762 7407 8807 13265 7981 8569 6100 8562 11211 3500 12087 11516 14222 13539 6192 8257 8985 7488 5041 10693 3578 6225 9208 2568 13224 11977 10882 6463 4585 12100 2867 4650 10620 12546 7404 21892 12023 13235 9391 11325 3464 10279 9983 14061 8955 4328 3011 3171 2806 13934 9394 11032 4341 11100 6079 4641 6724 7122 10850 9799 4412 10793 285.2228 285.2249@1.04625 2259 2342 2151 2177 1864 2010 98376 102698 285.2249 285.2264@2.0829287 5121 5806 5497 3239 4285 7101 4912 6453 9142 8981 11772 5445 3704 4066 285.2264 285.2278@1.20425 2561 5228 3842 3683 3953 3923 3964 1771 12662 10904 4247 5803 285.2278 285.2413@1.175 8201 285.2413 285.2662@7.087 3927 6812 285.2662 285.2789@1.1192353 11876 13253 4929 9165 9093 7597 8254 11743 7702 6236 10275 10000 2804 3165 7463 2647 12343 285.2789 285.3365@6.2507706 10029 11829 2968 2798 6051 3677 1780 10143 9095 3462 2445 9477 10377 8629 6466 8172 7498 8577 9602 13160 12561 4679 6134 5777 5690 5277 11901 10949 7489 6033 10548 11131 1598 3740 4006 7029 6164 4614 5361 7389 6228 5520 4552 4017 5397 6294 7995 7623 9416 8538 8974 9557 10570 14226 3287 4746 5500 6055 4598 15823 14130 285.3365 285.3377@6.215 1501 285.3377 285.3388@1.1208125 5481 5599 2671 3241 5675 3944 4349 4493 4520 4135 3235 4160 4768 2806 3047 3575 285.3388 285.794@6.245 2309 285.794 285.8008@1.126 4261 285.8008 285.806@1.124 7046 285.806 285.8165@1.118 3665 285.8165 285.8214@1.128 2591 285.8214 285.8386@1.109 1224 285.8386 285.855@1.1195 1832 4079 285.855 285.8661@1.109 2047 285.8661 285.8727@1.124 285.8727 285.8953@1.123 2408 285.8953 285.9149@1.1225 3584 3850 285.9149 285.9247@1.124 1268 285.9247 285.9324@1.129 2509 285.9324 285.9483@1.11 2086 285.9483 285.9544@1.098 1116 285.9544 285.9682@1.1265 1834 1798 285.9682 285.975@1.05 1861 285.975 285.9947@1.117 1020 285.9947 286.0148@1.125 4073 3683 286.0148 286.0514@1.1535001 122553 120430 286.0514 286.0602@1.16425 3022 4282 5279 5756 286.0602 286.09@2.125 2568 286.09 286.0952@5.168785 36275 62064 62108 19641 11947 60839 27626 57594 34258 33292 17963 33719 24694 25491 26419 18468 7662 7571 38719 57453 22899 24474 30440 28519 11609 10644 48492 51387 286.0952 286.0976@2.161 6040 286.0976 286.1255@4.1415 54906 51504 8263 8183 286.1255 286.1321@1.186 1803 286.1321 286.1425@1.164 14998 286.1425 286.154@1.184 2799 286.154 286.1656@1.204 2599 286.1656 286.1704@4.8050003 6659 6383 286.1704 286.1718@1.184 3483 286.1718 286.179@1.1949999 2279 5018 3052 286.179 286.1863@1.1904546 6296 10270 2701 3879 4411 3970 6302 1949 6763 6082 5066 286.1863 286.1897@1.1658332 7460 7159 1394 7808 11671 3285 286.1897 286.1919@6.7415004 2301 97084 99663 1883 286.1919 286.1948@0.9217333 6616 6124 5994 21648 21541 10908 11922 11985 12607 6029 4716 3277 4497 5609 17330 17874 6191 16893 17693 8244 7923 20971 21962 21911 15792 14736 9413 4318 4769 286.1948 286.2172@1.0489999 1995 13180 2169 286.2172 286.2222@1.0365 2950 3014 2133 286.2222 286.2259@1.6424999 10954 10454 286.2259 286.2268@3.362 34660 35130 7806 7690 286.2268 286.2293@1.0358 8303 8410 2937 2786 1743 286.2293 286.3271@1.133 1222 286.3271 286.3365@1.129 2147 286.3365 286.3397@1.1227273 1928 2703 2845 3647 8227 7099 9278 12641 3538 4562 286.3397 286.3423@6.239 1778 286.3423 286.3481@1.122 2392 286.3481 286.8248@1.122 2535 286.8248 286.8935@1.121 1680 286.8935 286.9438@1.109 2288 286.9438 287.0642@1.126 2776 2588 287.0642 287.0713@2.0835712 5936 4057 4900 1908 3443 2717 2187 287.0713 287.0825@2.171 5753 287.0825 287.088@2.2795 8178 6574 5092 5161 287.088 287.0893@2.198 7486 287.0893 287.1021@3.45925 5773 6106 4278 4594 287.1021 287.1046@3.2585 4495 4034 287.1046 287.1127@3.8587499 13882 9162 32807 24469 287.1127 287.1127@3.893 8643 287.1127 287.1156@4.8255 20596 27451 287.1156 287.1163@4.856 6141 287.1163 287.1183@6.6087494 2392 2683 2952 3702 2732 3071 4022 4420 2674 2472 6157 5959 287.1183 287.1509@1.127125 4108 6433 13349 11344 81381 80464 148111 153687 287.1509 287.1521@0.8199167 5015 4714 2606 2080 5282 5760 6314 3107 3239 4444 3326 287.1521 287.1551@4.79175 478576 475800 1011817 1010597 287.1551 287.1736@1.261 5380 287.1736 287.1749@7.017 3249 287.1749 287.1756@2.5256667 4401 5623 5388 287.1756 287.2057@6.271 3036 287.2057 C16 H25 N5 392810 406096 279866 277390 260611 256033 292771 298028 317602 316624 319863 319330 384977 385593 76154 76674 256668 249872 1370944 1398210 150994 150110 165594 164481 502675 504106 145328 143592 127918 129127 314390 314024 205990 211159 209334 213969 131823 129262 885600 875227 139359 144910 182692 183415 328167 328230 211013 208602 89959 90003 320947 318202 339495 340717 240188 233565 230017 231146 335819 339444 247931 253736 189021 190194 249909 252335 268612 268837 402789 394257 322551 324287 159826 160791 295754 295317 431278 432843 195352 194453 389607 381769 369767 728596 728368 406228 403389 313469 306172 564785 227281 287.2123 287.2144@6.129667 2685 2040 2303 287.2144 287.2146@1.0725 39019 39461 287.2146 287.224@1.07 19970 26641 13978 287.224 287.2363@0.88866675 71284 69531 83751 81001 86749 6588 90826 70698 82735 287.2363 287.2383@0.8844 46025 98709 95063 84496 64498 287.2383 287.2401@1.1098182 11766 14777 8724 3879 6227 12001 7248 4634 5280 4309 11322 287.2401 287.2425@2.0103502 10158 11110 12103 8026 8337 17813 13322 9583 7428 9827 8590 11453 11183 14312 10190 29350 12581 10336 9006 287.2425 287.2443@2.0170002 9057 18122 9200 17488 12412 13895 14343 18659 13226 9236 12723 15682 287.2443 C16 H33 N O3 + 2.0412674 11584 9776 23085 14818 12057 16187 11667 25789 18901 12488 14415 26402 16661 12883 25183 19739 13679 20945 23075 25566 21240 24204 17007 26856 24135 12190 16363 15505 16673 33987 20662 10228 12127 24764 26410 15094 10262 9152 11729 20410 13354 29454 6044 26190 11115 7844 9792 19436 25231 12470 21580 13703 24396 11133 15655 11235 14215 16399 28757 29100 26126 13022 23619 17419 22822 26385 15770 21330 24677 14385 15641 287.2454 C16 H33 N O3 + 1.0403272 7388 7198 11452 9790 6951 22221 13033 8130 9235 14916 12043 5443 7321 16938 22034 2943 6177 24831 8464 12206 6951 8229 10989 3740 5601 7688 8617 5081 12386 13668 11989 12162 12103 12334 12081 17531 17022 12039 12819 6559 5946 7760 7284 9927 10732 16237 8683 5796 2703 11511 3957 14262 13674 16055 11125 287.2466 C16 H33 N O3 + 0.89398843 27715 50159 54250 12025 26960 57057 23758 51638 49806 22214 37318 43970 57437 57307 43028 57288 50780 62526 46152 7717 11445 29331 52839 50554 52408 38094 25526 60471 15128 58994 39209 26806 38928 46684 16654 33502 46971 53548 58925 48147 67109 14304 46572 46714 33731 34341 37237 29417 3954 3916 40785 50596 50281 30500 66814 63262 13710 62107 53648 62912 57212 53852 61072 49157 65224 64102 82553 38465 52281 38567 55388 6959 3270 31556 25009 53996 49115 56135 7235 11445 85253 60996 26298 39119 56831 57559 287.2467 287.2467@3.29075 3356 6965 3078 5883 287.2467 287.2468@0.82814294 19391 16127 20537 6143 11660 11994 5039 10342 20298 13066 23527 19957 8864 18137 17299 9078 10864 19462 11942 15749 15946 9451 22931 12879 2575 10750 10209 287.2468 287.2469@1.438 15877 287.2469 287.247@1.4119524 18505 17206 15768 18632 7913 11167 23293 12675 9545 23163 16004 17108 7058 9871 21388 27322 7844 18459 4509 18436 17250 287.247 C16 H33 N O3 19925 25815 14278 18380 26997 24172 21420 33400 23904 31052 24704 16895 19615 29651 18816 25675 19044 18206 12307 14009 14934 16213 9850 11646 27355 30241 29390 20926 13693 10180 23381 27377 19593 28352 15763 20964 18585 24493 25586 15765 20481 16791 12533 18574 29632 12878 18390 25556 23376 15240 14628 19831 19919 13388 12395 21937 16518 15043 21130 17095 26525 18408 18817 22342 17550 21876 14133 23869 16403 18705 15616 12104 9910 17055 15463 22119 3516 30103 27796 21308 27570 16020 26818 24421 25411 29291 31127 10251 10834 17005 29949 287.2471 287.2471@2.9215 5733 10634 287.2471 287.2472@2.837739 7452 15214 31912 21870 50099 22129 25460 33984 10378 11539 12248 30553 13638 26915 23507 34266 38154 35984 22330 34461 17779 30464 19842 287.2472 287.2472@3.491 8376 287.2472 287.2473@1.6261 9721 8796 3875 9341 10804 18048 8145 11737 8453 11865 287.2473 C16 H33 N O3 + 1.2060118 45666 45237 50084 54436 24642 24712 36699 39046 35367 35344 27125 40049 17383 14972 27266 27527 32023 32602 21348 21349 22028 21277 13547 14220 14985 15063 15063 16225 19328 17681 16532 20304 26695 26769 20698 20474 30138 23661 22465 25459 18443 18769 21296 19887 23486 21803 25132 25215 23228 25926 31315 31372 18928 18667 31718 32423 33015 31748 22327 21758 23126 21777 25135 24629 21682 19800 23680 23443 23468 27157 19347 19945 34190 33533 19022 18149 26609 17447 27860 49288 48677 20811 19189 19818 22155 20443 19924 19938 23609 25493 14331 14524 287.2474 287.2475@2.409 14201 287.2475 287.2476@1.745 11932 287.2476 287.2479@2.7535713 8383 14649 4579 11817 7984 8433 4665 20845 7639 8586 6916 5140 18569 24447 287.2479 C16 H33 N O3 + 4.1623087 5194 13206 13704 10718 7672 10726 5289 13088 14338 4448 13787 17335 14130 6791 3241 5881 15519 8090 15230 9559 14974 5971 9045 13284 12624 4769 13806 3407 10049 9699 9263 9902 12360 4274 3317 8807 2448 15672 12072 13970 12238 11294 287.2481 287.2485@3.9399166 7589 11225 11584 8785 7311 5545 8185 5955 16338 3561 12437 8717 287.2485 287.2489@3.9466667 4639 13903 7355 287.2489 287.2494@2.0328 25069 16534 21996 15452 16872 287.2494 287.2495@4.10125 7601 6705 2037 9269 3434 6436 5422 3044 287.2495 287.2642@3.966 3290 287.2642 287.2707@4.104 10275 6798 7293 7915 287.2707 287.2718@3.439 3833 287.2718 287.2778@3.539 3905 287.2778 287.2799@4.036909 5392 9828 13419 12356 6665 1571 4168 18432 4710 3459 6132 287.2799 287.2824@3.9724998 11130 11847 287.2824 C17 Sphinganine 9485 8624 10389 5317 5906 26365 25653 2653 29903 26837 10853 23280 24187 13643 8024 32996 32829 11873 13743 21071 25352 7767 5220 6832 5905 3755 4210 28846 18249 2686 9845 7041 70689 70584 4868 9814 63757 64680 9993 5360 4105 4277 18924 25958 25576 19814 97978 97477 37300 28945 38398 LMSP01040003 287.2832 287.8865@6.148 1104 287.8865 287.9119@6.133 1667 287.9119 288.0324@0.7356 3348 3761 5391 8855 9143 288.0324 288.0412@4.051333 63310 24838 30941 288.0412 C5 H13 Cl N6 O4 S 110009 113104 96715 94270 76661 78416 98994 95112 77182 16341 52850 24442 67206 65099 42549 44095 64285 64460 58741 56255 35135 34459 37540 38277 34985 34743 36171 36532 30495 30949 108524 104987 68351 75527 70150 66287 60583 61077 91178 89470 56005 53929 49516 50351 61068 57343 49616 49947 44574 41792 40038 39580 6039 35539 25553 25313 30576 28276 78436 76559 81381 82289 63660 67478 56965 54058 86274 79445 73187 72765 44849 43100 33205 34973 45629 44375 58432 38837 58918 46658 45473 50030 34198 34397 22703 22644 24402 24378 18558 18252 24121 24087 288.0414 288.0615@2.1185 19726 21174 288.0615 288.0726@2.13825 3049 2256 2404 4468 288.0726 288.0728@6.136 1268 288.0728 288.0772@2.1585 5358 5670 288.0772 288.0989@4.27875 19102 17776 9506 8812 288.0989 288.1026@1.724 3975 288.1026 288.1034@1.696 5953 2293 6564 288.1034 288.1136@1.2065 7083 10386 288.1136 288.117@6.477 2019 288.117 288.1285@2.02 6229 288.1285 288.1387@1.1185 2453 2444 288.1387 288.1449@1.1187142 3874 3351 3462 1929 3050 2795 2763 288.1449 288.147@4.9743333 13719 41407 4884 288.147 288.1738@2.186 5085 288.1738 288.1763@1.0885 2264 2356 288.1763 288.1886@1.1263334 4874 5810 2823 288.1886 288.1944@1.135 4091 288.1944 288.2027@1.15625 4121 2686 1913 1761 288.2027 288.2052@1.137 11337 15233 17327 288.2052 288.2136@1.1404667 1618 1840 6265 7969 3089 2042 1762 4659 3763 6901 4018 27296 6155 4980 22008 288.2136 288.2167@1.153 2702 288.2167 288.2228@1.0955 2773 3826 4198 2679 288.2228 288.229@1.043 2136 288.229 288.2311@1.1140001 3425 4996 1978 8857 6801 2085 1983 288.2311 288.2453@1.0845 4876 4824 9029 2140 8990 2740 4098 5263 288.2453 288.247@0.863 5509 288.247 288.2484@3.4536667 12012 15049 6446 288.2484 288.2505@2.8625002 5629 3627 288.2505 288.251@0.9360589 7645 8770 2900 3257 5872 1747 6335 2544 9679 2528 3227 1960 4050 9709 1741 8161 3938 5175 2213 9252 5210 3614 6519 4208 4527 6048 2131 4321 6673 5690 5728 5207 4986 5610 288.251 288.2555@1.082 3721 7413 288.2555 288.2644@1.0834999 8977 8833 288.2644 289.0308@2.0286002 4511 3589 3972 3133 3835 289.0308 289.0636@0.9565 6335 5734 289.0636 289.0963@1.5143332 3928 13309 12013 289.0963 289.0967@1.4636666 3809 5032 4787 289.0967 289.1301@5.4755 3137 3173 6152 5278 289.1301 289.1544@6.772616 2151 2315 3350 3237 5686 5690 2640 2348 2168 8830 8788 2370 1959 289.1544 289.1544@7.199549 5944 7350 3495 4430 4873 2705 2533 5321 4940 7358 7236 9280 9129 5898 5405 2798 5400 5787 3377 2918 289.1544 289.1557@6.5854173 23113 24287 4538 5266 43414 42912 5299 5256 33627 35429 13177 12901 289.1557 289.1694@4.781636 4008 4617 7219 6111 6595 6101 7518 7962 3456 3148 3839 289.1694 289.1699@1.1566666 19104 5078 5675 289.1699 289.19@1.1755 2576 3434 289.19 289.244@0.9 5168 4024 289.244 289.2569@1.08825 6967 1441 4360 6823 289.2569 C5 H3 Cl O2 S5 27787 27209 20742 15809 24008 23053 14856 15201 19860 14644 22942 23344 22968 23004 25648 25677 20753 20064 24970 23548 28303 29310 29416 30091 25065 24801 14805 19487 18745 15341 29965 30281 21404 21971 17645 17583 22450 16678 21349 16593 15508 15532 15122 14369 20504 15847 20104 20310 19732 15512 18555 24206 16151 21120 21735 23189 16196 21855 27805 27406 21683 21907 21026 21540 19076 25883 17504 22258 22597 22243 15329 14814 23598 24141 14233 20041 22563 16596 22401 24336 24180 24571 23798 24937 27709 25503 17378 17083 24468 18212 24353 24852 289.8404 290.0194@2.011 3693 290.0194 C18 H10 S2 18546 18986 10265 9711 9736 7333 7837 13290 13381 9597 5126 4243 3873 4877 4085 13325 11921 11414 5731 10439 6226 9683 9037 6780 6540 7584 7116 8802 5725 15214 7545 12097 11959 14964 11557 10371 10029 11901 11216 8896 13918 5052 5028 6360 6593 4639 9307 9417 7611 2023 2619 4422 8732 9123 8839 8225 6397 6944 11548 6967 11506 12189 7808 12308 9283 9368 4114 10428 3991 7871 9919 7014 9349 5685 6650 5021 7247 8481 5709 8609 6328 7104 6672 9239 9069 290.0222 290.025@2.399 2830 290.025 290.0252@2.055846 3895 8490 3805 3962 2773 7342 6678 4800 3046 3071 2977 9530 3864 290.0252 290.0406@4.014 5432 290.0406 290.0789@5.8276668 30450 30655 6393 5839 3778 3883 290.0789 290.1155@1.3602223 6217 8152 8522 7265 2110 3631 3013 4799 3295 3332 7737 6332 4829 3448 4628 7120 6365 3499 290.1155 290.1157@1.5646667 6992 5425 3937 290.1157 290.1183@1.253 5061 3524 290.1183 290.1208@1.3413751 1654 2535 3289 11535 2284 3912 6196 5646 290.1208 290.1224@1.1389999 5531 1822 6897 6592 290.1224 290.1305@1.3364999 10380 290.1305 290.1365@1.428 290.1365 290.1415@2.0075 8139 16238 290.1415 290.1416@1.1919999 10660 4808 5835 290.1416 290.1416@2.031 11992 290.1416 290.1436@1.925 17932 10355 290.1436 290.1449@1.2338889 12251 11202 8723 10612 11339 4261 5852 6488 290.1449 290.1456@2.111 43016 43950 290.1456 290.1483@1.1893636 5794 1883 6069 6317 6599 8221 3010 3276 6778 1988 3582 290.1483 290.157@1.17 5198 4149 3738 5713 290.157 290.1652@1.1385 13958 2090 4199 6166 290.1652 290.1705@1.1682 12826 12401 14099 15643 5699 13055 10534 14911 14093 5783 290.1705 290.175@1.256 2041 87836 290.175 Azatadine 58844 54919 14636 5464470 5422823 2389 177546 178147 1670376 1660383 4842756 4816210 961354 955710 11051 20898 692362 687891 1123914 888072 27538 9610 3415515 3359060 4217 822981 817213 49521 20313 7460 15411 15335 320795 340106 5042 48708 293219 290482 31993 C07774 290.176 290.1833@1.129 2934 2195 290.1833 290.1929@1.117 2457 290.1929 290.2005@1.07125 4809 1521 14428 2790 290.2005 290.209@1.06 7757 290.209 290.2148@1.0647826 13122 18304 18850 14993 11244 3297 24451 2791 3767 4577 3919 2869 22458 7916 14491 3986 3967 3837 12488 4483 24099 18951 14745 290.2148 290.2204@1.058 17506 290.2204 290.2416@0.9014999 6138 10779 9733 3233 2192 2669 3063 2156 2271 10531 290.2416 290.3161@1.1236666 4088 1516 2322 290.3161 290.8024@1.124 2043 290.8024 290.8136@1.125 1907 290.8136 290.8428@1.136 1482 290.8428 290.9162@1.125 5840 290.9162 291.0793@0.8095 4677 4577 291.0793 291.1156@4.6175003 7203 7027 291.1156 291.1194@1.641 6738 291.1194 291.1256@4.856 3258 3256 291.1256 291.1388@1.139 2319 291.1388 291.1443@1.135 2270 291.1443 291.1513@7.469 8203 8885 291.1513 291.1524@6.5044446 3396 2689 3486 3179 2991 3083 3606 3773 2856 3994 3509 8942 9057 9991 7560 6575 4299 4535 291.1524 291.1526@7.333 334142 338226 291.1526 291.1727@1.205 6448 291.1727 291.1857@1.1136667 7260 6224 12600 291.1857 291.1902@1.142 8629 5506 3016 291.1902 291.2202@1.1932001 18493 20499 7577 15305 15925 291.2202 291.2777@1.0910001 2624 3795 1872 2739 2589 6885 6637 3007 1651 3985 4304 2274 291.2777 291.2954@7.333 3075 2631 291.2954 291.8388@5.543822 4687 4127 4656 4505 4025 4212 4915 5649 4767 4565 4518 4718 4246 3870 4843 3955 5390 4619 4786 5814 4888 4488 4654 4270 4451 5152 4650 5226 291.8388 292.0693@3.449 32223 292.0693 292.0694@3.095 10952 292.0694 292.0992@3.879 63488 58733 292.0992 292.1005@3.927 5742 292.1005 292.1189@1.651 4252 292.1189 292.1306@1.4133848 5899 9317 11523 10163 8051 5293 4492 5723 8847 8232 3633 4541 7663 292.1306 292.1309@1.4866 17302 5431 3965 3902 292.1309 292.1333@2.0365 5296 5166 292.1333 292.1343@3.953 12457 292.1343 292.1371@1.191 3751 292.1371 292.1424@1.2063333 3708 1752 4060 292.1424 292.1635@1.214 1901 292.1635 292.172@1.008 1997 292.172 292.173@1.11 2930 1700 292.173 292.1825@0.87 3259 2647 2432 3445 292.1825 292.1833@1.20375 3669 3792 10404 3035 4983 4551 2975 1825 7142 2567 2268 3101 292.1833 292.1884@1.1681999 6260 5188 2438 3699 7419 292.1884 292.1895@1.145 5817 292.1895 292.1947@1.1437143 1921 4358 9936 3576 8287 4748 6229 9100 8980 15215 12036 7801 6389 4867 292.1947 C18 H28 O3 4671 6235 4403 5282 3134 2781 3595 4144 4352 4448 5078 44863 22418 12182 4587 4456 3367 4403 6185 3959 14977 5141 3925 4915 3906 4082 3367 4364 5222 4257 7715 4683 4919 5415 4940 7002 4044 5149 3749 4680 6210 5553 4447 5484 3995 4526 292.1995 292.2013@3.908 1535 292.2013 292.208@1.198 3494 292.208 C12 H28 N4 O4 12457 16717 16985 9064 15097 11115 7943 9326 9444 8749 16237 10915 5139 21814 11932 12099 21966 16318 12898 8070 8821 8168 11451 13069 11854 15560 11698 5873 7074 12250 12165 11226 12488 11639 15257 9137 14739 10027 13033 7698 3611 14819 14241 7848 10951 14143 12200 12378 15171 22760 16961 11181 12139 23991 22498 12741 5234 8247 8479 9161 14313 7772 18603 10460 17511 15910 7859 9174 15257 17613 9127 12197 292.2082 292.2123@1.062 3597 4701 5362 10949 13907 8219 10894 10667 5913 3925 292.2123 293.0055@5.6080003 1874 2101 2329 293.0055 293.0584@0.9021875 6416 6698 4014 3240 3644 5132 4776 15770 14886 3732 4347 3268 6058 6139 10328 10091 293.0584 293.0872@1.1400001 2017 1907 293.0872 293.1196@1.2105 3175 3237 6317 6247 293.1196 C16 H15 N5 O 5678 5821 7594 6848 5933 5807 3069 6382 6273 5961 6493 6785 7178 12195 4387 4329 3785 4077 7302 7217 6870 7179 4618 5076 5094 5824 6165 5746 5382 5762 6006 5573 6269 4959 6136 5818 4771 4291 6021 6509 7643 6768 2432 4759 3497 6486 4488 4551 4256 6887 3993 4539 7354 2484 5682 5261 5379 4773 4530 3806 21475 19667 293.129 293.1329@2.0637777 9238 9734 3941 4729 6957 2760 3722 2650 5081 293.1329 293.1364@1.397 7570 293.1364 293.1994@1.202 3115 293.1994 293.1997@5.0285 5902 5866 293.1997 293.2001@5.112 5797 4305 293.2001 293.2007@3.167 14889 17945 293.2007 293.201@4.5095 41190 42148 293.201 293.201@3.2745 8040 7184 293.201 293.2012@4.9475 25534 24145 293.2012 293.2015@5.1695004 56710 57432 293.2015 293.2045@1.21 11745 293.2045 293.2053@1.1040714 6865 3932 2839 3178 2893 3239 3252 11192 4056 2753 3655 1943 15866 20648 293.2053 293.2072@1.1065937 5922 4674 4421 3137 8788 5567 3613 11457 6228 9838 6019 8426 5004 12245 7664 4613 4379 6042 6479 5501 7036 2189 5472 4079 3178 4322 4018 3389 4854 4489 4553 2652 293.2072 293.2126@1.1213332 3650 18021 5711 293.2126 293.216@1.1291429 3162 4681 2805 4692 4738 4604 2841 293.216 293.2195@4.587333 3258 4449 3906 293.2195 293.2376@1.1652501 92078 89965 232492 230538 293.2376 C7 H2 O11 S 49526 50861 53822 55263 55410 53742 55634 57962 56395 55413 53037 51872 54966 54564 55358 56005 54924 54702 53872 55661 53686 53512 55951 55860 59010 57454 58687 57561 60365 60510 49122 48885 53160 55238 60222 61274 58457 59310 61514 61201 55604 56201 51119 51671 56779 58914 57578 56763 57851 58680 59950 59924 54223 54246 56874 57498 56894 55829 56573 58145 56694 58084 55882 55848 63685 64251 53687 55554 52263 52446 57942 58127 59310 59125 56380 55950 57155 54796 56546 54654 55963 59892 59890 62613 58245 56919 60467 60299 62541 60643 55561 55030 293.9326 294.0426@2.5315 11461 10841 8271 8236 7444 7380 294.0426 294.043@2.697 1295 2960 294.043 294.0555@1.5533333 3947 4351 4026 294.0555 294.0569@1.155 1780 294.0569 294.061@2.6995 6431 2321 294.061 294.1092@1.0532 6474 6144 3056 4283 1620 294.1092 C15 H19 Cl N2 O2 20691 25943 4835 5137 13883 24304 6202 5521 18260 2862 24770 26270 4546 6193 7789 6398 7424 7849 4850 4719 9103 4371 15732 4283 20237 19739 17176 16977 6125 6689 6234 11439 11317 6239 6217 9299 11545 15805 15178 9443 18897 11686 18066 7062 7435 24360 24336 9250 6076 18247 18885 4619 9973 15614 13904 24228 13881 24157 294.113 294.1131@2.6955454 23428 9557 9869 5715 17089 3753 5615 17923 18695 12163 6377 294.1131 C12 H22 O6 S 6984 27254 27875 29010 2636 25185 24187 5566 5428 8362 3113 27074 23187 7132 7103 10825 10467 11513 10361 8164 7501 11552 11562 13319 23607 11430 10103 13573 4728 7443 7446 7292 7011 9389 7874 8845 14964 12005 10656 8086 9529 8776 8214 7139 20834 5254 5286 15085 22281 12385 9275 6873 11019 9818 11089 10021 8684 8196 29781 26566 4832 3844 294.1135 294.1136@2.568 12988 18916 294.1136 294.1165@1.062857 6198 6329 3879 1820 2783 5690 294.1165 294.1174@3.9729998 4941 5178 3506 3376 3419 1909 294.1174 294.1206@3.759 5750 6978 294.1206 294.1451@1.4147896 12442 10624 5913 5357 4492 4168 2580 13815 12504 6415 5648 5902 6762 5736 6191 4236 3785 7890 8999 294.1451 C17 H26 S2 4127 9519 9209 24329 5493 7937 10305 11424 10187 24402 9592 10282 8433 9853 10348 9163 6244 12317 15077 12879 10419 13461 4463 8045 5568 6527 5557 7271 13313 3853 6590 7291 6707 11254 10096 6278 9451 21736 17949 18248 17123 4852 6861 5787 6368 8235 3015 15454 15691 4737 4380 12945 12485 7575 6957 12618 11411 11432 5994 7413 7498 7256 7559 7089 294.1465 294.1492@1.0565 62790 49317 294.1492 294.1615@4.42825 3718 4102 3340 3429 294.1615 294.1701@5.986 5285 4778 294.1701 294.198@1.175 1493 1789 294.198 294.2127@1.135 7808 294.2127 294.2149@0.9055 4722 4225 294.2149 294.2177@1.1228918 14723 13062 5029 5927 6434 15768 6326 17970 10870 14539 11495 7800 9844 9019 6785 13527 12661 10660 7471 10569 4200 12350 9875 11960 23843 10767 17833 11831 15930 21665 16918 9436 18956 10127 23621 10273 294.2177 294.2208@0.83 5219 6117 294.2208 12-oxo-9-octadecynoic acid 29392 89769 69165 70331 33802 162585 73138 24906 86149 34724 41238 122618 93195 140397 54201 19504 46748 126498 47217 45338 61891 169208 35417 57092 91542 61910 89939 40018 153070 162086 25611 96772 38562 300625 86536 92537 63676 243326 78539 104266 28737 14489 57677 24074 44442 324191 89386 100801 93057 45278 69972 78868 100885 103479 70841 56826 113081 180948 43987 33488 111913 36445 103019 27092 22794 110717 219856 193213 34790 31956 236019 62758 54985 55456 413983 55703 1031570 205313 516089 96423 80021 91456 101603 84982 124583 121161 33705 275317 81756 80910 294.2215 294.2248@1.068 25018 25848 294.2248 294.2879@1.308 3340 294.2879 C11 H21 N O6 S + 2.777566 106538 118157 120938 131565 30184 33429 8583 9354 108020 108117 24540 25130 43900 28853 30375 106667 31871 31634 46353 44661 45744 44591 33527 34041 49514 47646 8205 5204 52646 48207 46420 48957 18623 24410 22692 32785 30387 27012 38828 39606 37199 38136 58340 58565 41480 52820 43924 42304 38487 38492 43839 35257 41751 32091 22480 24149 61894 62011 96083 48977 35318 34772 5998 8167 48277 43870 39258 42069 39725 46096 52184 25164 113994 49029 20871 17486 295.1095 295.1097@2.7206838 47722 80818 55453 59257 18703 3201 78326 69807 3685 40142 47573 53555 16117 30654 82027 80257 25925 87043 55110 295.1097 C11 H21 N O6 S 110994 113630 24603 18184 66807 70425 26428 23034 73319 56333 116317 120420 23056 23938 26236 25351 36499 31272 23329 25223 121955 126731 16308 20188 14106 102585 84671 77172 78654 26762 25579 25171 28002 50285 50886 32116 28212 51559 43902 54733 67616 58313 61492 90315 41497 58718 34409 111205 83185 37467 25120 91957 83490 62223 66899 45357 71166 105514 63437 54960 295.1098 295.1098@2.581 78388 295.1098 295.1297@1.9 5307 295.1297 295.1323@1.3100001 28189 27573 49846 53810 295.1323 295.1329@1.2335 4046 8384 295.1329 295.1358@1.427 4533 3207 295.1358 295.1435@6.465 2284 2652 295.1435 295.144@1.441 9227 9387 295.144 C16 H25 N S2 4719 3978 11187 10848 7061 7953 9668 9214 5049 4709 3606 3363 4774 4662 4376 4787 2561 2907 2991 2982 3149 3342 4306 3432 2210 2751 32578 33936 4022 3504 3784 3271 4629 4807 2728 2827 3126 3109 2604 4288 3815 295.1444 295.1577@4.5605 53132 52025 295.1577 295.1578@4.443 14345 14036 295.1578 295.1665@1.2145 6371 7622 295.1665 295.1795@4.8392 5308 5962 18635 17489 4537 295.1795 295.1926@1.15 4661 295.1926 295.1981@1.141 5181 295.1981 295.2096@7.4592505 6091 5193 10999 13657 295.2096 295.2122@1.132 5682 295.2122 295.2204@1.134 4750 3905 3760 295.2204 295.2279@1.0946666 18132 2966 8254 295.2279 295.2384@1.155 3296 295.2384 295.2401@1.0858928 2729 1753 1646 9411 3877 4277 4081 2534 8305 8005 8423 8933 6507 6377 1691 8264 8649 11479 7062 7429 17383 5830 15985 15937 4873 7928 5663 4693 295.2401 295.2412@1.0858333 2589 3141 9444 10781 7936 3835 295.2412 C9 H29 N9 O2 8887 205831 6368 5239 11447 5321 8499 8494 197174 205225 7156 5050 12134 12220 273373 14725 2678 10530 10975 8872 8824 4936 6611 9021 9251 8577 9127 12141 11034 263577 13418 10618 8527 9361 6901 6875 10857 288856 11861 2561 11103 12457 7706 10864 8583 4474 14527 14085 3398 3174 278358 5393 8778 10337 177658 10281 13865 314283 14349 14677 5788 4857 295.2462 295.253@1.1717693 3928 299269 109837 95464 210399 214115 7218 6805 4713 5179 9298 10210 3768 295.253 296.0439@2.6845 124357 130988 296.0439 296.0875@5.824143 47145 48088 1986 2145 9326 9802 2127 2187 2081 2110 6020 6499 1477 1665 296.0875 296.1136@2.688375 5273 1901 4014 8684 2024 2531 12022 12475 296.1136 296.1288@1.095875 58773 32885 34897 15182 11595 12353 9037 19008 296.1288 C12 H25 Cl N2 O2 S 39917 38735 27592 37594 73979 42930 31766 10429 1972 15811 20534 28807 15251 20643 27605 40467 12237 4748 10153 10936 2171 3370 2627 2246 54711 64554 26449 8945 3512 6269 4551 2695 296.1288 296.1344@4.1855 12404 12358 19896 18247 296.1344 296.1349@1.1294286 2710 2147 10009 9471 5356 3274 16461 3842 3364 18780 9681 6898 6739 11683 3437 5615 8633 7398 6289 2120 2594 296.1349 296.1354@1.143 3127 296.1354 296.138@1.1484 11674 9128 9074 6140 2597 2156 2759 5987 5648 1917 1766 8249 4469 2214 2423 296.138 296.1458@1.1650001 1914 4581 4840 296.1458 296.148@1.424 5136 296.148 C18 H20 N2 O2 4934 8431 7263 3430 4590 5357 12934 5545 5178 1118164 1112690 23428 22989 166722 164329 9555 9791 9852 9981 5451 4889 4676 4263 4387 4535 3254 4071 4398 9134 9069 20819 8721 5672 6066 7263 103758 106864 4569 12921 296.15 296.1611@1.328 12549 296.1611 296.1679@1.281 5050 296.1679 296.1753@1.1435001 7581 6995 296.1753 296.1906@1.1506666 12961 13678 2847 296.1906 296.1978@1.118 2641 296.1978 296.2086@1.4475 3890 4592 296.2086 296.2099@1.1373334 7286 3276 2882 296.2099 296.2207@1.1240001 8502 10273 296.2207 296.2354@1.1097354 6074 6994 37538 5664 16591 926615 15893 269444 14417 38949 6683 16875 7860 5542 1148883 1744 3751 4629 14690 11668 8546 50498 7324 6759 9811 12800 5598 49310 401198 6332 37345 9955 31795 30607 296.2354 13S-hydroxy-9E,11Z-octadecadienoic acid 42350 252959 21594 32374 584244 433974 144945 145106 10723 6438 621762 290918 227366 832744 299106 118224 97016 89214 219637 726955 29211 18392 1322244 38478 218181 589338 16096 28541 716662 7076 32589 20435 160588 38168 30058 47342 494608 35833 89299 1221305 249393 757203 302161 330247 41876 29251 436990 334771 519760 385135 438004 820774 133293 98225 18446 480866 145824 76640 123562 138565 1076937 1087872 218780 689945 434954 445303 58564 140866 2550932 132003 488926 526054 147944 45082 204513 181883 13893 46738 64033 919939 202961 54938 165065 162938 296.2373 296.2417@1.0533333 59789 62740 615444 715404 56519 237170 10764 13986 30919 32334 15633 296.2417 296.2486@1.05 69517 296.2486 296.2662@1.0282499 5843 6738 15086 2437 4141 27951 23796 31212 3639 4374 62102 61156 296.2662 297.0469@2.658 5709 297.0469 297.0885@1.98 4104 3411 297.0885 1-Methylguanosine 4184 6489 9147 8869 9095 10309 8873 8392 8986 10635 6893 6325 6805 7139 4211 8102 6364 7231 7346 12303 10512 5732 4427 6466 4937 7142 8860 6504 12643 12049 17701 14937 8830 7621 9925 8882 5901 6112 13097 9413 7844 9701 10657 10069 3083 9686 9091 8688 11697 7715 6529 6461 7295 HMDB01563 C04545 297.1093 297.1098@3.105 7970 3670 297.1098 297.1158@3.158 3124 297.1158 297.1405@1.1835 2616 2538 297.1405 297.1474@1.1257999 2329 7218 3200 4835 4467 297.1474 297.1497@1.1644286 6229 5456 1768 4296 2704 2606 4000 297.1497 297.1502@6.228 3511 297.1502 297.1517@4.348666 8543 8304 3989 3461 7857 7475 6638 6407 18105 18546 8164 8567 297.1517 297.1601@1.1924 137561 123182 2060 2585 2490 297.1601 297.1635@4.221 6169 297.1635 297.1818@6.394 3313 297.1818 297.1822@1.2033334 3046 9037 6982 297.1822 297.1843@1.2036 15418 2134 3370 9158 1955 297.1843 297.1922@3.155 10293 11743 297.1922 297.2336@1.151 1659 297.2336 297.2439@1.1297143 17404 11993 2899 1753 1696 2253 2578 297.2439 297.2543@1.0915 10570 4397 297.2543 297.2554@1.0803751 1833 20917 23374 24145 27069 27158 6164 3808 17288 2520 2569 54088 19936 53217 31944 2476 297.2554 (Z)-N-(2-hydroxyethyl)hexadec-7-enamide 23118 33168 23569 23824 42235 41226 30639 29320 8775 6066 46722 45654 35054 35873 17098 16186 29440 40060 66599 67428 10774 11392 35749 34821 34483 33116 83317 82661 38906 37271 31650 32970 17325 22261 23945 9986 32425 32860 26617 28616 27223 30000 47236 22720 40966 41869 26128 25838 32308 31334 31338 30128 37011 38639 36675 20380 45338 45487 44630 43697 33112 27780 28190 30065 22586 22206 47971 48136 53694 56152 28541 28649 25018 22921 18712 16676 45817 19979 32244 31813 20095 18761 46388 34378 70596 25860 16610 15614 297.2662 297.2683@1.1396 12062 122903 121938 32029 32390 297.2683 297.8446@1.141 2552 297.8446 298.083@3.3975 9282 9815 298.083 298.0958@0.8155 7456 7090 298.0958 298.1121@4.779 3337 298.1121 298.118@1.169 2779 298.118 298.1325@2.0374444 4325 6838 3224 4261 6092 5218 2556 6351 8895 5287 2753 4907 4192 3016 5885 6656 5215 10285 298.1325 298.1325@1.503 3204 298.1325 298.1329@1.1554999 4285 5298 3190 8452 298.1329 298.1334@1.5608749 1601 4979 3659 2863 6603 6369 6305 20659 2767 6692 4061 3380 11549 2767 15153 4586 298.1334 C17 H18 N2 O3 62164 55773 77178 77221 53962 54652 27249 26843 39057 42201 51690 57850 122366 111955 36730 36263 55409 59990 62436 62976 40814 42915 27050 26811 52176 52451 36281 30936 50550 46103 71379 73530 56377 55517 37870 30765 39914 35135 72020 75636 50198 50453 42843 47793 74503 74390 47640 49249 53182 49973 88288 82814 45943 47368 64001 71615 63765 65685 78725 81007 63269 62158 84313 90019 38671 33982 61116 58693 89161 89290 53057 49565 45947 42208 37860 34223 65724 33128 72839 84669 83748 80988 74896 64988 70318 67976 34450 32410 40095 42957 58884 59489 298.1339 C14 H22 N2 O3 S 25164 10601 10899 7969 4782 3577 8756 4821 5275 11873 11205 18716 13768 2091 9080 9136 8555 10849 11165 9095 6456 3759 5182 2820 3730 7503 36815 23625 22632 9001 14186 5904 23972 8538 14698 11947 19979 5897 11555 19908 22484 7204 6151 7785 13043 14629 18653 17010 15641 8883 3902 15005 21891 298.1341 298.1343@1.183 6199 3127 9133 9103 9989 5159 8196 298.1343 C9 H23 Cl N6 O S 6966 7412 6604 3973 7727 7581 9069 9468 4849 6937 1497 8096 10683 3349 6274 5018 6181 11303 5831 9949 5458 6795 6775 10288 13135 1556 10440 15174 14374 13475 1903 2616 9454 6148 2479 6962 8451 11116 9343 10412 10856 9893 6297 5475 8345 4457 17424 16250 13641 17319 7947 6460 6917 3559 8076 8793 298.1347 298.135@2.051 3290 298.135 298.1353@1.76425 6567 3963 3784 3877 298.1353 C7 H22 N8 O S2 14729 15040 8917 10158 7069 7584 8375 4886 6937 7598 9446 6948 6565 6276 7108 4190 4504 9190 9096 4977 6010 7226 11133 10954 8741 10179 10262 8816 7667 6943 9916 8413 12147 11229 7497 2610 10845 10310 8410 8015 12458 10134 8271 6992 6676 8263 11913 11165 5472 4914 5733 7509 7583 10645 10506 9211 8889 10639 6561 11025 10320 3124 4118 22209 7144 298.1356 C12 H14 N10 10367 10559 1830 2454 2725 9633 1649 6799 6606 9490 9463 4776 6001 3171 2162 5949 7027 3405 9069 8701 3345 4140 7897 2334 4422 5503 4820 5368 3446 2878 2765 2453 3034 7808 3371 3262 11252 10913 6064 4703 6153 4560 6858 3915 3314 6433 298.1381 298.139@1.1906667 2701 2482 5387 5857 3759 2600 298.139 298.1481@7.79025 9652 9746 4589 5035 298.1481 298.1483@7.44075 13227 14314 28168 29183 298.1483 298.1507@1.206 4517 298.1507 298.1525@6.5682926 3200 3844 5211 5249 8154 7887 4579 4113 3257 3346 8129 8419 5320 5202 2956 2947 1990 1883 4154 4129 1852 1992 8185 8788 298.1525 298.1581@1.17 2550 298.1581 298.1747@2.138 4639 5200 298.1747 298.1828@1.1685 2733 1927 298.1828 298.1908@1.17 2224 298.1908 298.1976@0.88973343 2510 2527 15642 14995 6796 6972 5001 5203 6908 6906 4980 5381 31167 13496 1889 298.1976 298.199@1.175 2001 298.199 298.2099@0.8895 2207 4459 298.2099 298.2164@0.881 6201 298.2164 298.2263@1.3555 4947 5480 298.2263 298.2272@0.8545 2537 2540 298.2272 298.2275@1.2240556 20903 19854 7736 8184 2522 2877 6281 4440 5004 2722 2788 2017 1701 7003 2418 18421 3083 3060 298.2275 298.2298@0.95725 3942 4187 3109 2080 298.2298 298.2412@0.898 3383 298.2412 298.2477@1.1523333 4266 7140 3751 10377 8423 6673 298.2477 8R-hydroxy-9Z-octadecenoic acid 11689 7120 21523 15127 15599 27336 300090 10386 12458 42504 39888 16659 11280 18190 72128 22945 16479 27237 21134 17391 18295 10343 43115 13788 28641 23722 10567 14395 12345 7124 17492 25292 17986 17028 23789 15188 18280 14185 13807 29455 7665 181630 33960 38039 14215 274018 276066 291386 9580 16220 117881 20799 183291 141927 9876 298.252 9R-hydroxy-10E-octadecenoic acid 244135 244997 115273 123984 291092 264548 133536 140092 402079 412162 434847 407546 12530 305710 56056 59161 300863 329957 141852 162312 157761 298929 81999 143074 308776 129663 249878 206516 307965 609183 507899 308769 137364 128841 426139 198399 314360 319949 300030 296772 437384 418657 92529 163204 703150 363466 537367 519868 258838 527660 99807 85535 128413 119287 239693 225050 409864 417440 501717 296145 136339 303150 302202 311556 349511 362045 169494 307128 395739 418296 357256 349804 297581 286717 335215 254594 554638 1998179 1075843 324522 574226 258618 292166 108205 179573 141595 298.253 299.0639@1.2025 3595 3974 299.0639 C18 H9 N3 O2 2267 4196 3896 5936 6706 4076 4267 3928 3985 4692 4442 4363 4557 3728 3972 4356 5547 5319 5365 4032 5028 4802 4358 4037 6076 3553 5081 4760 4496 5402 3794 4082 4425 4203 5693 5556 3499 4793 4281 5629 4894 4888 299.0694 299.1124@1.12625 2123 1660 2067 2148 299.1124 299.1333@6.666 7719 7790 28553 27797 299.1333 299.1898@2.135 20230 27969 9377 299.1898 299.1928@2.1045558 18303 17780 5662 11395 8186 22024 5430 20319 12363 299.1928 299.1944@1.7672501 9833 10085 5931 10112 299.1944 299.1948@1.717 13227 299.1948 299.1956@0.72975004 25793 10355 4483 7322 12888 5186 15753 25294 299.1956 299.1956@3.782 4099 6274 299.1956 299.1961@1.2307001 16967 13213 10876 7584 16332 5058 15380 17617 12502 12954 299.1961 299.1962@3.211 6547 299.1962 C13 H25 N5 O3 18952 32617 13388 11332 17325 20188 15482 10538 55500 67893 230892 12196 30838 34614 10016 23851 468212 128126 122148 30611 27628 15782 27848 28989 44317 4448 4813 15931 29389 25609 19669 52519 60446 44880 14721 299.1964 299.1965@2.7031667 15938 43093 19217 40953 53882 15934 299.1965 299.2006@4.182 14521 299.2006 299.2007@4.159778 4502 10150 4553 13501 7936 8711 16652 14420 17203 299.2007 299.2036@4.1827273 33774 36720 21174 19450 16864 17588 14727 21576 27995 23389 19153 299.2036 C12 H25 N7 O2 15274 49546 11060 14555 29147 27243 7944 6688 10510 9974 6506 6252 26891 8455 9571 10030 13587 13808 11731 5954 12675 8733 4828 10631 13187 19531 13000 8470 12125 15409 14827 14460 14324 5379 6577 21482 20437 11933 13125 16719 9238 32924 35664 16230 12738 6763 5191 17752 11536 11858 10308 14099 16454 24778 24960 14028 17577 11447 14483 13938 11094 17444 9747 16414 17417 13621 14112 13472 11994 52672 3593 27273 14138 17660 15486 15151 17132 19458 63651 42222 7947 16774 16951 299.2055 299.2107@6.065636 8909 8569 5620 6405 6694 16462 14858 10320 21727 62506 10666 299.2107 299.2108@6.080333 34361 31996 41991 21594 51864 44442 108482 29405 48206 299.2108 299.2515@1.082 7715 8479 299.2515 299.2789@1.1846666 6274 7812 5414 4259 4345 3143 6903 4590 3900 299.2789 299.2789@3.7919998 11828 12607 299.2789 N-(2-hydroxyethyl)palmitamide 5952 6376 6227 17935 16266 35512 36559 60018 59398 25944 26228 172145 178105 114753 112803 9321 8888 63580 63814 41311 40071 124672 125403 39370 38638 135637 131578 55354 53279 39608 34293 7634 8512 26139 25749 78782 78356 66353 65866 45026 44734 4015 82590 83592 24960 24384 60322 59217 27507 25700 65489 63345 27511 27316 31560 32085 123729 124913 36405 33635 94230 91763 26361 27548 54910 40363 53280 49468 51669 16383 15464 14847 27599 27137 21367 21261 42090 44432 299.2839 299.3433@2.6885 4818 3322 299.3433 300.0311@0.7125 5585 5055 300.0311 Sulfaquinoxaline 20014 23059 6530 17920 14666 7199 4725 4099 13063 14109 13290 17073 3917 25118 25310 14762 15893 19988 21389 18918 18870 18529 18612 22164 23728 12359 6482 4397 16608 18576 14437 19358 19733 4640 22235 17945 19774 20565 13347 19642 19234 25625 24789 22048 22579 15341 4692 2352 19247 18882 21573 19300 19550 14817 20063 25130 6363 21765 16464 17599 19308 19698 10608 18642 19024 24426 22215 24156 5783 20379 13846 4364 4769 20314 16392 300.0676 300.0682@2.7540002 18318 5257 300.0682 300.0685@2.6764998 7508 4389 300.0685 C10 H20 O6 S2 11589 6502 5135 8142 7252 6391 9317 8624 5916 5980 5747 10423 4409 4953 4179 4940 8408 8408 7453 17866 18458 6874 6026 11440 9864 8809 10398 8684 4859 4288 3491 4926 3910 7498 3606 4269 3960 5163 4434 3910 3765 6819 6608 5584 4234 8322 9536 3678 12345 13823 4936 3992 2633 6600 5079 5308 6167 5145 4284 4015 4012 7366 3988 6198 8644 8486 6543 6821 4839 5619 8315 8261 300.07 C11 H16 N4 O2 S2 6078 9646 8594 4539 4258 7122 5879 5315 3602 9187 15163 3723 3848 9875 3945 2131 1831 1649 3254 2526 6743 5224 4642 3927 3271 3243 2930 20109 6239 3489 11053 4197 3340 2669 7199 4986 4171 3463 2630 2439 2936 3619 4771 3233 4615 12073 3969 5911 11646 3909 2592 9854 1852 2412 4927 5006 5607 6448 4835 4005 4968 10027 5683 2476 6009 5601 300.0718 300.0739@2.7846668 7762 9163 5776 3653 3803 4089 12179 6809 6442 300.0739 300.0755@1.1973461 12389 10525 3973 3802 15109 11015 9240 11743 17745 17160 7138 20259 14981 20487 31832 30554 5095 7888 11470 9641 5600 22254 14494 17919 16698 16919 300.0755 300.0779@2.828615 6899 4914 6980 8991 3554 6286 3019 5942 3868 4332 3723 3644 1612 300.0779 300.0801@1.197889 7286 6598 7214 14289 8376 9962 9445 4213 7653 300.0801 300.0888@2.8364003 2506 4330 3518 2931 2494 2181 4306 4722 3672 5495 300.0888 300.0917@1.225875 3929 1470 9938 13941 2648 2148 6202 7156 300.0917 300.0945@2.860667 2074 3712 3060 300.0945 300.1015@1.2354546 8227 3874 4272 9457 11624 10754 11541 9209 4995 7243 11939 300.1015 300.1038@1.235 16199 8158 300.1038 300.1051@1.2284545 6101 9726 7492 12895 8623 8750 5452 7338 12878 13800 7589 2448 12267 2941 13272 12600 6914 6739 15905 6188 18026 300.1051 300.1097@5.987 2417 300.1097 300.1105@2.040842 5433 6050 2795 5326 3774 1942 3212 3983 3668 6651 2354 2298 3680 2414 5568 15345 5265 5813 7352 300.1105 300.1112@2.734 124650 125790 300.1112 5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB] + 2.088407 10543 8968 7762 16162 12914 6050 9010 6008 7249 6601 7107 5839 4261 4142 3836 5453 9779 4959 3446 6381 8457 2629 12096 8553 10834 12303 6156 8054 6825 15071 14974 4279 3828 6146 7427 5471 9472 12010 4270 4734 8570 10269 9643 13873 14489 17108 21872 4076 14859 7182 3766 17377 19323 C13705 300.1122 300.1122@2.1703334 7231 4164 2343 300.1122 5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB] 21435 20878 30842 30098 11419 11245 9274 7594 12437 12267 15941 16059 41525 39195 10447 11853 10763 10567 14818 14926 12144 11580 4071 3974 50270 49172 12625 11994 12190 10822 25328 18031 13981 9941 8984 12187 37849 38482 13309 12227 6874 7587 19874 23524 21124 14943 16216 16762 30543 10612 22110 24479 16863 25797 31050 16468 14503 34548 33305 7217 8407 18087 19000 22401 12163 9608 11531 11991 11042 9629 15707 6308 19046 22492 16514 23472 26239 24449 15312 27036 29240 C13705 300.1135 300.114@1.9016207 4003 7808 5101 5803 6184 5489 6593 5959 7374 4975 5112 4551 6305 7492 5529 6998 5396 5293 6839 9602 9924 8760 10184 9611 8600 4620 7704 5089 300.114 300.1142@1.5347999 4530 3345 9889 5456 4141 300.1142 5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB] + 1.8134243 3103 6353 10776 6594 3486 5237 4867 7286 6644 7578 6837 4417 4881 8960 6970 5760 5615 7743 8458 8853 9430 6160 9832 7660 7907 7559 7291 8016 5129 4537 9875 10037 C13705 300.1142 300.1146@1.5112222 5077 5851 3943 7939 8559 7780 7550 7023 8105 300.1146 300.1172@2.111 9522 300.1172 300.1202@1.8553333 4939 6971 2957 300.1202 300.1219@1.2334287 14037 16310 7177 5816 15511 9753 4428 300.1219 300.1279@5.37975 2945 2799 89530 89604 300.1279 300.1297@1.817 12281 300.1297 8-Hydroxypromazine 5642 5753 8404 8640 9335 8270 14965 15282 4339 4304 4155 4506 7962 8330 3405 5836 4846 6168 5349 4336 5551 5217 5266 5230 7880 10916 5636 4627 8306 8881 5029 5684 4951 4675 3943 4524 6964 6428 4364 4316 7852 6652 7823 7613 4959 7432 7141 6962 7079 7281 6903 5992 6206 6281 4985 6560 5919 300.1325 300.1487@1.1822001 61549 32627 10780 10268 3566 300.1487 300.1539@1.202 9344 300.1539 300.1711@1.708 3056 300.1711 300.1808@1.132 2463 300.1808 300.1923@1.197857 1882 1728 1977 2746 3839 2845 4646 300.1923 300.194@1.1505556 2128 6190 1937 2126 3656 5183 6672 3245 300.194 300.1967@3.859 1446 300.1967 300.197@3.489 2357 300.197 300.1987@2.628 3748 300.1987 300.2022@1.0793076 1471 2487 7897 24822 5318 3736 2059 1528 3050 4161 5131 2591 3008 300.2022 300.206@1.032 1320 300.206 300.2167@1.0114 1998 2315 5264 21646 19940 300.2167 300.2283@0.9589166 2717 4430 4553 3503 3748 6792 4146 2045 4566 1547 1538 300.2283 300.2311@1.049 4925 300.2311 300.2352@0.9526087 6321 5872 16825 6363 7048 6360 5084 4852 3215 3324 3310 7274 5893 6314 3197 7041 3840 2819 3906 4509 5352 4595 3868 300.2352 300.2458@1.04925 6538 3562 6885 8204 7751 8549 3976 31237 300.2458 300.2518@1.091 1499 300.2518 300.2592@1.038 6194 300.2592 300.2681@1.0395 1828 2954 300.2681 301.0657@2.324 68621 3535 10247 301.0657 C9 H19 N O6 S2 24001 24732 31119 26943 21592 21396 39604 21689 25725 22067 11740 11714 31044 18980 19594 21312 11741 12556 41868 26014 10135 11015 4615 5951 4881 4928 3639 8047 8512 19143 17370 35126 28415 23227 22328 22870 4442 11444 12641 23980 16538 9553 2945 17486 16565 12220 13460 15035 15021 6538 14912 15665 12640 13465 14420 12095 12312 12638 13525 18983 16409 16339 18696 10554 9573 20527 19429 16464 17242 12122 8936 10074 11599 19090 16998 10918 12127 15203 18785 23153 9363 9554 19359 5662 12684 10200 3381 14120 19253 21067 301.0658 301.0659@2.385 8211 301.0659 301.0659@2.7717502 15393 12300 4205 15862 12505 10396 12519 11146 16247 9829 17640 15670 19497 14422 4333 22392 301.0659 C10 H15 N5 O2 S2 + 2.7183108 18423 22340 12543 16969 12792 16979 49069 4884 19590 19693 7277 18876 9863 12741 26057 10469 6974 16554 13248 10592 11203 9458 12317 17966 11935 9116 17163 9868 19073 11169 9915 20537 9851 10974 16102 18562 23039 20184 14122 12493 13018 9381 32027 14548 2290 14652 17918 15689 11188 11233 8761 9475 11549 12992 17428 14236 18147 12845 16473 16107 12698 16699 10055 22131 2615 8571 23320 15960 15756 15438 23510 24349 26743 22374 301.066 C10 H15 N5 O2 S2 32829 28426 33549 35204 20591 29779 1859 47096 35285 20958 19524 18823 27498 22931 19529 4861 16700 18439 23814 20946 22735 20658 47517 3822 23815 22572 8956 15483 23783 19042 34010 35600 33488 35541 40957 42280 32166 30664 21211 20132 1540 28346 9921 7555 26960 27459 21525 24989 4599 28945 23422 25251 21928 17988 23610 23572 23871 21666 20923 23948 22433 23008 26597 23597 41031 47965 22497 25597 26792 25602 31064 27916 25934 21933 28375 26653 30028 25880 20151 22717 25312 36241 33659 28219 23635 27172 30205 6827 14497 6424 24560 301.0663 301.0675@2.6795 4704 6275 301.0675 301.0691@2.0621114 9326 9595 5921 4178 3618 3261 5159 10432 4259 301.0691 301.0741@2.046 4177 301.0741 301.0839@2.0945 2408 14453 301.0839 301.084@1.207 3677 301.084 301.0956@4.262 10044 9176 9366 9747 301.0956 301.0958@2.112625 5306 10887 4455 3229 9781 21002 24926 9384 301.0958 301.0975@2.1128697 6231 19810 6260 25428 4483 31500 5611 5622 13004 9870 4557 12897 31188 6236 19811 10663 8067 6832 12370 14725 10301 11446 301.0975 301.1022@2.143 5275 301.1022 301.1119@1.233 1790 301.1119 301.1238@1.229 3152 1431 301.1238 301.1325@1.1696666 4115 6699 4065 2077 2137 5517 3936 11484 10226 20145 22409 9308 301.1325 C10 H23 N O9 7176 6766 5732 5787 7563 5287 5423 5888 4144 3573 2954 4733 6178 10732 3160 4597 5005 6761 4409 3908 9101 9800 2718 7503 2526 3834 7626 9835 3527 2883 8429 6601 14877 15524 5585 6091 7212 7195 21258 32425 12114 8078 13755 4280 3189 11521 11802 1938 3344 10137 301.1344 301.1349@4.3205 25900 13283 301.1349 301.137@4.337 58465 59426 18352 33090 301.137 301.1393@1.1535385 7397 6814 7610 9498 3017 4785 6507 7642 3064 9397 4949 9431 8652 301.1393 301.1445@1.1667273 7513 1778 3611 7772 2442 3870 6126 2652 10954 11290 7884 301.1445 301.1542@1.208 5949 301.1542 301.1555@7.26 11951 11191 301.1555 301.1681@7.1835003 2739 2347 301.1681 301.1681@1.1423334 4853 5335 6944 301.1681 301.1811@1.157 2086 301.1811 301.1899@7.149 8189 9553 301.1899 TEGASEROD 3735 3253 4231 6185 6573 6151 3496 3090 3250 3039 3297 3542 5304 5324 4224 3817 5332 3114 5860 5306 3447 2982 4143 4006 2845 8676 8611 6081 5876 3111 3324 3692 4614 2754 2628 4595 5034 2330 4891 4900 2902 2726 8516 8673 10836 12182 3421 3259 2895 20771 20439 7404 6770 4730 4381 301.1904 301.1907@6.7694 7494 3116 4992 5263 4879 3558 3156 3498 5405 4979 301.1907 TEGASEROD + 6.4934783 3070 2521 2522 3234 5914 11287 4063 4407 3247 2814 4078 4153 1548 3448 3185 2442 2144 4731 5028 4034 2300 2819 2802 2065 2647 4242 1961 3943 4423 3406 4349 4838 4664 4186 2750 3348 3250 3230 3784 3203 6163 6772 3470 2542 2978 2721 301.1911 301.1924@1.1259999 1946 2591 9962 301.1924 C9 H23 N11 O 2165 2510 2222 2752 2690 2174 3909 4480 4671 4633 7019 5922 2271 2396 2958 3144 3271 2886 3086 3076 4133 3091 3756 3939 4342 6048 6610 4077 4042 4263 3140 2820 3395 3086 3193 2837 301.2093 301.2112@1.104 10171 301.2112 301.2138@1.113 4619 9813 11014 1733 2236 1929 2180 16878 18143 301.2138 301.2199@1.1232857 3813 5280 6252 2245 1833 20882 1905 301.2199 301.2272@6.04359 12469 13731 10890 9411 7859 17811 6690 7558 11352 19162 4212 5661 11053 5350 8296 9382 12918 13590 5539 3604 4980 6615 301.2272 C17 H27 N5 19251 17923 14577 14888 25032 21776 27782 26629 8944 8704 4488 6595 17302 17329 7131 6226 4279 3827 4045 4303 3791 4456 16121 16643 6107 7779 4783 3633 9388 11681 9690 8098 7420 9764 9388 7225 6532 15251 15120 9001 8769 14170 5423 23638 21768 13614 12218 7800 8075 14447 3536 6676 5665 9404 14473 8617 9963 9595 9809 7386 8334 9552 8627 9496 8900 8669 1985 1794 6628 5797 17394 28311 27232 29099 14552 12383 14258 12499 13167 12382 11329 33769 33104 22976 23405 301.2274 C17 H27 N5 + 6.0095706 24332 25791 14110 26638 49542 50153 68743 61378 23437 12296 11718 8944 46175 30791 14903 17655 5289 4856 30553 31968 3529 14196 32240 32997 16924 35455 12496 12283 24750 27630 34462 37077 22971 23130 24471 24281 19509 14871 33976 32961 11956 6570 7459 7189 44111 45111 28711 30580 13716 8616 40774 40787 10403 22331 18139 18632 20966 8276 31250 32032 23298 25939 19554 18848 29082 12691 24111 23274 14003 13033 15240 15284 16707 17647 33976 40725 62478 57889 28274 26534 35070 35427 34238 13386 19456 47265 43019 12147 13330 61069 59464 301.2274 301.228@1.117 3611 301.228 301.2361@1.102 3159 3654 5487 301.2361 301.2462@1.1055 2741 7376 301.2462 301.912@1.0476667 17053 15965 3015 2478 13442 12401 301.912 302.0092@13.393 2733 302.0092 302.0097@13.195 3550 4283 302.0097 302.0106@7.4425 3535 4919 302.0106 302.0679@2.691 1679 2652 302.0679 302.0778@2.1285 4397 9063 302.0778 302.0782@2.0873 8821 5165 4584 4920 4377 4533 5889 3549 4897 7627 302.0782 302.0805@3.166 3228 302.0805 302.0877@2.059 3320 302.0877 302.0984@2.104 1850 302.0984 302.0996@1.1375 15011 11790 302.0996 302.1155@1.2485 152731 147664 302.1155 302.1298@1.1835 3059 9392 302.1298 302.1329@1.1216471 5941 5908 7392 11235 7365 5638 5032 6968 2530 2187 4169 2949 2646 8226 6907 14165 2029 1921 2205 3449 9822 3168 2084 1851 2886 2547 2246 2912 3035 8489 3132 3182 4166 3049 302.1329 302.1394@1.1524073 3465 3008 6006 4257 1519 7986 10184 1997 1776 5701 6808 9155 1654 5442 4699 4049 4411 1947 3824 4525 8578 5508 3433 16876 3405 2299 6381 302.1394 302.1428@1.15225 1745 2003 8322 4380 302.1428 302.1456@1.1882 3742 4094 4019 2407 4815 4808 3080 5082 2454 7533 302.1456 302.1594@1.2399999 3062 2299 2283 302.1594 302.1619@1.1965 3367 5721 3782 9397 302.1619 302.1783@1.1784999 3040 3722 302.1783 302.1816@1.179 3817 2887 302.1816 Formestane 18537 19338 28596 29649 18618 18770 29585 29973 34281 33062 25120 25168 20279 20266 13588 12592 23384 24378 23872 24778 40184 40680 31767 31312 17087 16298 52000 51133 51885 50572 27754 27551 15152 16559 25448 25272 14275 13819 13841 13274 29786 31446 30086 31410 39830 40602 17904 24432 26278 27360 56003 57712 32065 32645 20746 20152 26019 25571 28059 28329 12658 13016 19425 20491 36330 38193 19573 20744 24531 24268 25096 25509 22119 23051 30309 30047 59565 58445 29119 28734 24465 22293 22903 47748 48697 25615 25006 25874 25044 31969 32058 302.1863 302.1946@1.139 1829 302.1946 302.2033@1.1435 3150 1879 302.2033 302.21@1.1195999 15417 1756 4408 2282 5647 302.21 302.2231@1.1385001 6076 7400 2384 2321 6997 2074 302.2231 302.2263@1.0582632 8788 2719 17641 2271 5190 15532 12004 24034 3970 4708 9936 2166 9233 4605 17838 3558 21360 2196 302.2263 302.228@1.0748183 17673 8235 3279 24906 5758 5608 14754 13511 57243 8750 7878 302.228 302.2285@6.0235 4645 4790 302.2285 302.2391@1.0890386 11939 11965 7961 6396 5908 8849 10254 6656 3556 11274 12714 10452 11299 8910 8409 6467 15896 15202 7897 8039 16236 10541 9689 5925 12970 302.2391 C13 H30 N6 O2 16198 15760 5989 13512 15263 13558 19045 11436 8991 7184 9884 11444 8261 19243 6945 5433 5156 19634 16492 13310 13868 11677 9941 11286 7210 9337 8585 11330 8431 10543 13948 9034 6501 4831 11924 8448 6715 13459 11123 13028 11622 7396 5129 9193 14959 9524 10429 10079 6954 6934 6623 7502 7924 6390 10542 18479 21351 6990 5986 302.2422 302.2837@0.82350004 52253 55120 302.2837 303.0138@4.7205 8179 8493 303.0138 303.014@4.767 7271 7051 303.014 303.0559@0.737 2733 2766 303.0559 303.0788@2.037143 3646 5057 4753 4104 4487 4096 3576 303.0788 Chlorambucil 5374 6987 4332 3989 5809 5609 6029 7088 5777 4855 2456 5803 5272 5686 3474 6844 5891 6830 3073 2860 7682 3860 3585 5847 6056 8192 8343 5402 5048 5163 6300 8132 8756 6475 7280 7175 5875 5799 4494 7199 6989 1956 6840 5864 3183 5862 6709 5481 6405 2444 2823 5239 5165 4726 7011 7075 5563 3827 3200 4927 5452 5622 4485 6534 4418 5447 5689 6152 5782 5691 6488 C06900 303.0802 303.1153@1.138 2682 303.1153 303.1162@2.421 2438 2950 4021 6825 303.1162 303.1254@5.212 2309 2206 303.1254 303.1366@4.393 2002 303.1366 303.1484@1.8589998 8923 13843 41912 38205 43386 38822 79290 27011 9633 10667 20485 14615 303.1484 303.1486@1.715 7023 303.1486 303.1491@6.134 18301 17938 8193 8218 303.1491 303.1492@1.6761669 24709 27666 145251 146505 111434 91700 184214 199731 24040 27470 44818 57769 303.1492 303.1493@6.3605 75852 74507 109111 112221 303.1493 303.1506@1.849 50704 1855 7058 303.1506 303.1527@1.20875 1288 2807 3576 3374 303.1527 303.1724@6.8874 6297 6404 4122 3871 6479 18906 18288 2947 3495 3187 303.1724 303.2047@6.80625 3859 2204 6441 72238 303.2047 303.2055@2.569 2055 303.2055 303.2064@5.2106667 8573 7820 7435 8120 4199 5248 303.2064 C16 H25 N5 O 63016 63750 71960 71488 56974 56329 76180 74583 59905 59533 54452 56098 103239 103434 14773 15418 67784 66089 102452 103284 40973 41061 87465 86640 44716 43330 19314 19464 37869 36630 125767 124903 80006 82971 43733 43522 53551 53004 134067 134344 26550 27772 36584 35995 145508 142057 92441 90535 30349 29328 53275 52252 56910 57159 70600 70767 54769 48326 91402 89208 46778 48219 31351 31514 43501 43026 73913 75523 92902 90048 64639 67704 34699 34955 87874 87924 96943 100166 60687 60257 91115 91059 90031 74937 75539 74849 74333 79246 4940 57693 56196 303.2069 303.2237@0.98675007 4678 2765 2255 3773 2816 10816 8607 7711 303.2237 303.2283@1.0788751 6917 4984 2961 7274 57967 17030 3270 28671 303.2283 303.2362@1.0995 18655 4777 303.2362 303.2488@1.113 4492 303.2488 303.2558@1.183 3045 3118 303.2558 303.2603@3.7713747 4689 4260 3913 2907 4475 5234 3754 5282 4004 2391 3581 3716 8069 7028 2894 3539 303.2603 303.2616@3.827 2738 303.2616 303.2882@3.823 3230 303.2882 303.2915@3.73925 5797 5973 4528 3849 303.2915 304.1243@1.9199092 3128 2703 4565 5012 4983 4177 3619 3211 7502 4397 3582 304.1243 304.1295@1.96 7765 304.1295 304.1307@4.972 5539 4699 304.1307 304.1371@4.9694996 3478 2608 304.1371 304.1404@1.9654288 9416 12273 6596 6307 7927 8938 5284 4900 5572 3787 5562 8736 9160 8462 7152 10485 6159 3917 7775 6248 304.1404 304.1445@3.9715002 2494 2637 2335 3925 3610 2217 304.1445 304.1447@1.1029999 10505 11335 10785 2264 304.1447 304.1456@2.084 6086 304.1456 C17 H16 N6 5809 4552 6396 5582 7324 8707 4112 3890 5584 6458 4486 4351 4742 4106 3765 4053 4472 4731 4715 4922 3893 4540 4933 4012 4856 3857 3818 3909 3872 7947 6667 5927 3904 5861 5509 5958 5628 6195 4245 4307 2296 2928 4422 5016 5373 5344 4514 3578 2776 6412 5591 4548 4829 5038 5033 3570 3620 5238 4356 6110 7334 5555 5141 5436 4060 3086 2343 5597 304.146 304.1502@3.642 6542 304.1502 304.1509@1.2290001 3444 3523 304.1509 304.151@5.469926 4982 6631 2195 2422 5711 3664 3868 3384 4190 2040 4326 2431 4031 4808 2007 5403 5654 4686 5931 2516 5646 5564 6070 2198 5542 2591 7395 304.151 304.1516@2.179 4389 304.1516 304.1524@5.418828 5884 2934 4023 4548 2897 5950 2978 5844 6498 4773 2717 2584 5163 1581 3246 3276 6976 6447 4002 7423 3041 2767 3812 1375 3687 6903 3685 5388 6802 304.1524 304.1524@2.536833 8635 5554 26101 24927 6920 8144 304.1524 304.1532@2.6322856 5895 4666 3281 4142 3564 9505 9420 304.1532 304.154@1.0623 5119 4737 2295 4220 3864 4863 4218 3955 4391 3284 304.154 304.1567@6.263 4405 304.1567 C20 H20 N2 O 5828 5159 2959 5181 7857 3310 4076 4723 9091 5327 6494 4908 3548 4886 6396 2819 5899 2342 2631 4329 2590 3287 3827 2330 3771 2668 3716 4949 4348 6630 5274 4415 4943 3577 5335 4762 6422 6812 5628 3503 304.1588 304.1622@1.1376667 6063 4588 1949 6621 4994 3662 304.1622 304.1639@1.1309644 4656 6010 2956 3879 2760 3138 2762 3838 3453 2265 2571 5737 4073 3829 2591 3600 1215 4280 5063 3446 3355 7313 2690 5342 5904 3337 2805 3032 304.1639 304.1695@1.1755 1874 4788 304.1695 304.1787@1.4999092 10386 2918 11649 11568 4006 9749 7770 11078 23577 20550 27466 304.1787 304.1787@1.6105 6648 4507 304.1787 304.1788@1.2054999 4780 4512 2103 2476 4208 2173 7472 8170 12239 2030 6234 4345 11654 12002 5694 3909 2627 4805 4366 11622 12655 6106 6527 7005 6089 4764 304.1788 304.1797@1.4345714 4036 3944 14781 14227 9615 39711 37041 304.1797 304.1829@1.184143 3141 2439 6077 5111 3703 2588 4435 304.1829 304.1839@5.4061995 1989 2577 2435 3265 3409 304.1839 1,3-DIPROPYL-8-CYCLOPENTYLXANTHINE [DPCPX] 8229 7801 8700 9399 17534 17374 24042 24245 6033 6001 7708 7056 3819 3849 24468 25091 7440 7826 31205 32188 7572 7392 6838 6328 5315 4290 3785 3808 3675 3503 5294 5481 7126 6703 4511 4563 12156 11571 3969 4220 5118 4458 2525 2953 2552 2260 3078 5411 4875 304.1902 304.1921@1.074 1572 7189 35572 304.1921 304.2086@1.052 4297 304.2086 304.2238@1.068 5458 304.2238 304.2317@1.12 4183 5270 304.2317 304.2378@1.0622501 1874 3471 5214 14768 24737 5913 15469 25990 7942 4217 17987 12820 304.2378 304.2422@4.2095 17381 19921 304.2422 304.2424@4.273 2271 304.2424 304.2625@1.1255 48581 46667 304.2625 304.2639@0.884 4668 3827 304.2639 C7 H15 N O8 S2 9261 8861 8495 6969 6105 6051 6465 6571 7379 7967 5858 8461 6776 7372 7366 6376 5330 7261 6721 6846 5502 5515 5505 5110 6172 5016 4154 5130 3331 7535 8899 5594 5167 5514 5793 4791 4960 7579 7577 4886 6802 6513 7698 5808 6496 6565 5767 8267 7662 6474 7629 6775 4765 6132 6295 5564 5415 5144 7853 7373 5282 6036 6127 5652 5596 5249 6108 6313 6989 6463 4494 4347 4111 8074 7770 5694 5487 7387 8212 305.0246 305.0248@2.742 2823 4856 3647 3513 305.0248 305.0587@0.73557144 3053 3060 4908 2699 2555 2986 305.0587 305.1332@4.7159996 2856 6751 305.1332 305.1334@4.716 6621 2637 305.1334 305.1434@4.4345 7484 7131 305.1434 305.1627@2.0205002 19199 16469 305.1627 305.1633@3.8055 6404 6795 305.1633 305.1642@5.2145004 2540 2868 305.1642 305.1643@6.266077 3031 3138 13047 12945 4260 4726 2853 4911 5634 4871 5397 3825 3921 305.1643 305.166@1.925 13834 14888 305.166 305.1677@2.098 40378 38560 305.1677 305.1692@1.0558571 14333 11907 2863 4669 5161 2479 3162 3406 3635 4150 3773 4935 3916 305.1692 305.1754@1.058 4236 305.1754 305.1788@1.299 5178 1935 305.1788 305.2062@1.198 4936 305.2062 305.2165@1.1846668 9634 10355 4450 305.2165 305.2367@2.8477144 48978 49529 7812 8032 5807 6343 37955 38973 17172 17298 14247 15745 25194 24234 30566 29797 44034 44427 28297 26324 10763 11605 18138 18785 49268 51407 12117 13234 10035 9139 6655 7197 3889 6313 9921 10984 38468 38751 5602 4495 14134 13211 305.2367 305.2372@1.556 8943 305.2372 305.2374@3.0483685 14886 6712 9282 11360 6708 7132 9442 9534 9779 13298 13905 13478 8375 7164 6942 18080 15349 12823 11914 305.2374 305.2376@3.059 7644 305.2376 305.2847@1.088 2946 305.2847 305.2913@1.0841061 2923 2758 2164 2753 2684 2885 2457 6894 5681 4167 3458 3297 2932 5149 5253 3860 2560 2920 2759 2816 2787 12908 12136 2833 3213 3329 3358 9717 10201 5255 5085 3302 3004 2258 3068 3043 4667 4999 3316 3281 2695 2814 3470 2191 3075 2555 2297 3224 3865 2940 3914 4550 4021 2769 3097 3287 3561 3553 5360 4970 4561 3517 2976 4189 4188 305.2913 306.0207@2.7171247 9558 21264 7243 8150 6741 5461 13373 4985 4638 2831 6307 13318 10829 8362 7569 8749 8228 11154 4038 8702 7624 4507 6036 8425 14521 9225 12024 13169 5960 6279 4229 6141 306.0207 C14 H10 O6 S 42009 41023 25907 14450 29393 29237 30323 24857 38079 34976 32207 31350 26698 32518 31390 26582 32632 27352 33153 27595 27577 24283 27680 27056 23181 23248 22381 25688 26940 26967 37305 28778 35097 38662 25796 21981 26320 27087 22704 23946 28037 28863 26772 26064 31010 31736 28283 25024 30950 30068 29102 26527 27315 26132 29274 31671 27393 31112 20989 21507 26036 29637 19909 25203 24744 24124 35753 33291 32318 28279 26581 35867 26716 28182 26525 27978 29143 25785 30646 23690 20566 21080 19753 33420 36535 26271 27192 32777 32267 306.0208 C15 H15 Cl N2 O S 6434 6441 5811 5962 4312 4251 7649 7892 5851 4736 5374 5025 5869 5316 5071 5245 5118 5365 5388 5278 7512 5888 5762 5249 4869 4495 4845 4877 6199 6063 5258 4636 4872 5113 5164 5085 6522 5943 5470 5521 4706 5143 5572 5483 5262 5200 4434 4787 4968 4956 4916 5270 4669 4335 5203 5495 7058 6917 5227 5443 5376 5489 4786 5300 5791 5326 5587 5203 5680 4750 5025 5844 6085 6332 5942 5419 5114 9072 6657 5641 6491 5693 6384 6131 5772 5353 6648 6341 306.0604 306.1057@1.4768 6729 5153 200297 144271 4352 306.1057 306.106@1.588 191977 306.106 C16 H19 Cl N2 O2 6155 5862 10165 5114 5433 7951 8481 5830 5730 8252 8369 6270 6289 691771 562098 5071 5990 5064 3322 6656 7337 12603 12322 11113 13138 8136 8114 6756 6180 1541 6781 11568 10129 4392 4040 4127 4230 6075 5426 7238 10623 9479 8566 24614 24151 6202 6052 306.1119 306.1158@1.4256668 6440 5575 6512 306.1158 306.1581@1.4365001 5860 3486 306.1581 306.1689@2.055 7566 306.1689 306.1707@2.137 6290 6462 306.1707 306.1844@1.177 8022 5183 3898 306.1844 306.1916@1.061 2920 306.1916 306.1942@1.3028889 3020 31586 4062 25634 3708 5725 5378 23721 5733 306.1942 9-chloro-10-hydroxy-hexadecanoic acid + 1.4075756 12231 6503 11158 15487 11138 12682 8073 6054 7022 8668 4668 4598 4502 14929 14085 7935 5528 6159 7828 4689 18653 16644 3046 5682 5645 5742 6438 17500 19389 46094 46515 12116 15916 C13949 306.1951 9-chloro-10-hydroxy-hexadecanoic acid 33529 30076 38762 41261 3609 3433 4205 22411 8986 8673 30094 31934 26317 2093 17850 16803 12018 12019 52269 52951 5676 4864 12832 12371 20999 19022 3678 2863 18503 1942 24704 24654 26539 9898 9919 1850 9231 9700 42094 49483 7181 7244 6282 5916 24584 26098 20869 20606 16793 17379 38945 38843 9040 9487 6170 3852 160287 163954 5375 3686 7967 9113 7429 7485 42417 37311 3439 4360 3120 2929 C13949 306.1966 306.2056@1.203 6141 306.2056 306.2226@1.1153333 2318 4268 4125 306.2226 306.229@1.0885556 2445 8357 4272 6138 5666 2615 9687 6078 5702 306.229 306.2378@1.0736667 5410 129454 7358 7100 7466 3602 6021 3536 4450 306.2378 306.2423@1.107 63809 64418 306.2423 306.2537@1.402 10287 10511 306.2537 306.3143@1.4045 4069 4820 306.3143 307.0384@3.172 3488 307.0384 307.0449@3.3365002 19803 17852 307.0449 307.0468@3.536 5630847 5402025 307.0468 307.1076@1.51 4827 307.1076 307.1085@1.614 11389 307.1085 307.1196@1.1175001 1821 7601 307.1196 307.1214@1.1211429 14426 7132 3965 8629 8201 6528 2613 4206 13956 13193 4897 1942 1670 10176 7098 2951 8138 6791 7354 3088 2059 307.1214 307.1479@7.4965 571473 573081 307.1479 307.1506@1.2005 6172 6208 307.1506 307.1676@1.45 6284 8021 307.1676 307.1691@2.5786664 233171 231375 737090 747510 224573 220362 307.1691 307.1706@2.7113333 84860 82667 269468 275470 61239 64717 307.1706 307.179@6.212 1835 307.179 307.1804@6.185471 6532 7672 8205 8381 7002 5856 4888 6864 1709 5368 4392 2406 3748 2994 3361 1852 3606 307.1804 307.2002@1.166 11355 8295 6599 5728 307.2002 C15 H25 N5 O2 5644 3963 4040 38306 30894 28662 13472 4188 10693 9587 8711 1646 1732 3054 3903 26148 25698 12930 26454 19041 27388 2151 3080 28645 29358 7757 8211 4650 5596 3038 2897 33018 33075 5312 16973 1906 307.2015 307.2109@1.1726667 13115 5728 2616 307.2109 307.2163@1.1975 10208 10199 307.2163 307.2173@0.83449996 7376 6088 307.2173 307.2526@0.90197223 7970 7601 3071 3312 4834 4624 69509 66554 9830 9737 3638 4130 2636 2444 5445 5555 2911 3482 7106 7065 8595 8501 3814 4146 1590 4579 4853 4586 4826 1925 3390 3046 14377 14523 5423 4311 307.2526 307.2579@0.9 2547 307.2579 307.2609@1.1384 2618 2998 3312 3342 2889 307.2609 307.2689@1.1451429 3877 3478 3541 3959 5094 2788 2100 307.2689 307.2747@1.1459999 3316 4826 4525 2041 8490 3645 4448 2610 4139 4956 307.2747 307.2798@1.1558214 4585 4805 6637 7128 4112 2484 3555 2072 3170 2096 2495 3057 4357 5449 4482 3803 2888 2006 7497 8223 5295 3131 5178 3700 1460 8449 7595 15073 307.2798 307.285@1.16175 1696 11771 12381 16614 307.285 307.2937@7.4954996 6921 5303 307.2937 307.3493@1.125 7538 307.3493 307.357@7.4965 3836 2390 307.357 307.3602@3.521 7132 307.3602 307.8123@1.125 1448 307.8123 307.8329@1.124 2213 307.8329 307.833@3.522 3064 307.833 307.8451@3.511 1286 307.8451 307.8842@1.123 7098 307.8842 307.9371@1.122 4490 307.9371 C8 H4 O11 S 4008 4198 4496 4404 4303 4479 5050 5262 4841 4598 4422 4187 4706 4605 4836 4748 4530 4674 4729 4799 4286 4380 5093 4782 4902 4869 4558 4794 5495 4935 4178 3737 4734 4298 5653 5156 4864 5314 5068 5069 4484 4889 4195 4295 4753 4940 4617 4427 5185 5167 5358 5082 4609 4504 4890 5008 4652 4649 4674 5440 4905 5149 4504 4896 5638 5776 4684 4909 4057 4608 4879 5014 5194 5394 4272 4420 4936 4686 4705 4534 4788 5694 5129 5215 5054 4873 5497 5156 5583 5655 4386 4757 307.9476 308.0362@3.1666667 3020 15262 15674 308.0362 308.037@0.70449996 9678 8527 308.037 5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin 5168 4734 2667 2533 7129 4000 2411 2617 10633 2890 3102 5459 4903 5170 14444 14037 10645 1797 3790 2951 3498 6638 2719 2207 9135 8824 2084 1965 5619 3954 5663 4982 6948 3316 3629 2002 2053 10864 4335 3071 2693 10281 11112 3354 3399 5904 5007 4762 5601 5404 1857 308.0772 308.0886@2.021 3904 3957 308.0886 308.1079@1.042 2843 2339 308.1079 308.1218@1.964 3389 308.1218 308.1283@1.1078571 2761 2099 2006 1765 2505 3251 6608 308.1283 308.1456@1.6466 4661 5083 2735 4263 308.1456 308.1665@1.135 2575 308.1665 308.1752@1.166 4473 8312 9637 5531 5964 6168 6765 2610 3754 3874 308.1752 308.1755@6.728 2409 308.1755 308.1772@3.34 4554 308.1772 308.187@1.141375 7887 4531 6020 6984 10700 7828 5689 1402 308.187 308.1906@1.1342144 7431 4773 1755 4049 5202 4230 5400 3266 6611 7415 6778 6573 6055 308.1906 308.1965@3.545 4687 5053 308.1965 308.1991@1.1225454 10540 7179 6183 10405 8634 8420 5391 8174 7130 2446 2989 308.1991 308.2091@1.081 8490 308.2091 308.2163@1.0793332 3334 12053 10769 8055 6235 5919 2992 10389 5365 4607 4618 3339 3147 6494 3226 5301 12240 5470 5400 5028 9394 3861 2864 16381 2656 16749 8397 10375 3230 4170 308.2163 C19 H32 O S 8533 7301 7660 5115 10165 7380 9627 9205 7427 10865 7522 8707 9607 9449 18405 12211 14737 13155 9639 7862 7749 7693 2992 12644 14293 10259 8217 15900 8691 10951 8197 7006 10588 7809 7509 8698 7460 10122 7502 5952 7749 10373 9113 12993 11503 8313 8472 6910 5512 7622 13359 14539 5664 9256 12158 10699 10470 13286 12235 11851 7713 10281 13538 3407 10839 8064 8550 4662 7200 7190 7636 10349 13206 8323 11677 9257 9860 3868 3555 6247 7448 308.2185 308.2215@1.1288 2353 3972 19368 12281 8556 308.2215 308.2232@1.056 6416 4119 2981 5780 2767 8651 4905 4627 5627 11846 2163 308.2232 308.2364@1.04425 1764 3525 1924 3428 308.2364 308.2497@1.0411999 1539 1728 1765 2215 2660 308.2497 308.2541@3.535 7300 308.2541 308.2589@1.035 2829 308.2589 308.268@1.1632 3312 3124 6163 6400 2811 308.268 308.2734@1.162 4596 308.2734 308.3187@6.7383127 6705 6858 9975 7663 2378 3984 6042 10102 8273 2594 2986 3836 1698 2261 7609 8697 308.3187 308.3367@3.571 1806 308.3367 308.35@1.12475 17067 16349 14118 14123 308.35 308.7978@1.124 3023 308.7978 308.8118@1.129 2483 308.8118 308.8724@1.126 3469 308.8724 308.8837@1.127 2122 2355 308.8837 308.912@1.129 2332 308.912 308.9772@5.5976253 1802 2060 1936 2088 2013 1990 2055 1910 1709 1877 2041 1935 1734 1622 1948 1813 308.9772 308.9954@1.126 2863 308.9954 309.1177@2.848 2843 309.1177 309.1228@6.456 2074 309.1228 309.1252@2.7820542 11202 2819 11341 1691 2577 12929 5947 6271 5181 2853 2928 8271 9548 5583 8418 8601 8092 2864 5954 5715 5492 5472 6502 4213 9455 7140 4246 8549 5849 6736 5132 5275 4567 2731 2775 9951 8970 309.1252 C13 H19 N5 O2 S 3366 14240 4526 3699 10098 9808 7207 8500 4167 4700 8934 3292 5329 8573 3299 5451 3540 2374 4784 10148 4454 10356 1393 3796 4154 6845 4438 5937 5654 4900 5979 3048 6115 5713 5897 5172 1682 6267 5015 10732 7197 3756 4848 7451 1934 8420 4100 9204 3937 6362 6343 6378 8564 9091 3189 4150 3845 5170 2287 3485 5752 7317 4210 4134 309.1256 309.1257@2.5917778 3603 3612 3499 4579 2543 6840 3659 2799 3102 309.1257 309.1264@2.689 3184 309.1264 309.1398@1.648 5210 309.1398 309.1412@1.6510001 4057 5391 10127 4343 4551 4744 7206 4872 7507 7576 309.1412 309.1459@1.665 4267 6084 2391 309.1459 309.1604@6.537 2219 309.1604 309.1863@1.041 2283 309.1863 309.1923@1.04 2289 309.1923 Nadolol 225603 237018 106353 100917 142429 143893 692943 705322 138995 139385 91268 89358 162530 162145 212340 217420 188094 181430 204107 207885 160766 160827 137584 137783 281308 289478 301339 290920 157958 154970 212973 215953 208257 203630 63959 64416 246119 234890 179875 178312 73238 73049 360640 366222 112107 114750 134082 119224 158280 160818 107022 106005 300108 289757 142502 141136 157878 159739 108663 107147 227053 224352 188153 188550 99345 94882 155691 158210 215699 218115 173495 170396 160534 159266 487155 484994 197171 188371 534777 539107 525082 4490 791066 766656 201387 197229 13070 330901 C07249 309.1969 309.2037@1.147 3965 309.2037 309.2041@6.0283456 6041 14128 13750 15053 5056 6234 5361 6215 5279 7992 5321 5603 11011 11662 5110 14323 12038 15505 16309 16773 13657 4503 20391 19299 7568 13776 309.2041 309.2053@6.021973 3208 3190 5546 7342 3894 5581 5000 7829 7717 5253 4582 6710 2842 3365 9522 7329 6820 4717 7300 4000 7521 9105 8050 5451 5075 5413 3071 5747 9118 8829 5101 5313 5584 4150 6631 5745 6511 3527 309.2053 309.2099@1.1436666 3581 6664 8960 309.2099 C10 H28 Cl N9 3730 4557 3093 5052 3873 3971 3445 3896 4111 3833 3796 4526 5118 3667 6707 2987 3155 3844 3611 4905 4248 3661 3719 3282 3025 5115 5495 4510 3753 3672 4291 3727 2393 2480 3322 2968 4147 4866 3485 4214 6183 5743 3552 2629 1966 4943 5806 4075 7037 3246 3524 4212 3584 309.216 309.2167@6.032539 5813 5240 5033 3177 4995 2120 3158 6670 6689 2659 4197 5648 3861 309.2167 309.219@6.0303636 3439 5780 2997 6726 4986 3295 7294 1378 2914 2573 5143 309.219 309.2191@1.977 13651 309.2191 309.2238@2.043 5400 309.2238 309.2267@1.2103888 3955 3298 3258 3452 3063 2649 2750 2942 4098 3405 3147 2757 2998 2750 3274 3018 2798 309.2267 309.2268@5.9863334 5799 7283 7483 309.2268 309.2282@1.4412274 5840 2810 5169 4706 5453 4772 4157 4849 3996 3505 4533 4680 3633 4012 3897 4527 5310 18791 6695 3804 3650 309.2282 309.2283@1.891 6259 309.2283 309.2286@6.2376156 9169 6190 3714 6310 5515 6853 3342 3850 5703 3205 4978 2050 3227 309.2286 309.2288@3.0225 5681 7622 309.2288 309.2291@4.274 3004 309.2291 309.2296@3.8764 2371 10927 2719 4597 6788 309.2296 309.2296@2.345 12029 309.2296 309.2302@6.875 5099 4562 309.2302 309.2304@7.44 5014 309.2304 309.2307@1.18925 10865 9912 16022 17405 309.2307 309.2938@1.104 3029 309.2938 C20 H39 N O 2428 3217 3526 25347 25328 3487 4049 30070 29212 2460 2437 1967 1988 5332 3982 4992 4156 8787 8718 6012 4903 3508 3613 4917 4982 2047 2728 5065 3614 3133 2590 3173 2448 3261 3538 2581 2991 4328 3389 3501 3744 3306 2186 7692 5005 7339 6288 7490 2626 2137 9647 9821 14321 14985 309.3033 309.3442@6.1465 15293 13577 3858 2815 5196 13182 309.3442 C6 H3 Cl N4 O3 S3 1477 1500 1376 1528 1414 1299 1482 1456 1718 1315 1589 1430 1478 1373 1379 1576 1654 1781 1574 1489 1387 1563 1324 1541 1592 1462 1499 1662 1583 1666 1536 1698 1540 1454 1556 1362 1457 1233 1110 1274 1444 1398 1474 1291 1434 1410 1408 1563 1490 1507 1627 1679 1548 1791 1875 1737 1468 1449 1534 1454 1467 1312 1579 1416 1675 1402 1382 1455 1334 1384 1359 1365 309.9058 310.0103@0.8106666 1753 1967 1729 310.0103 310.052@0.72749996 14163 14566 310.052 310.1108@2.3874285 3614 429073 157383 484624 482050 538485 537826 310.1108 310.1264@4.9554996 5120 4745 310.1264 310.1488@1.472 5521 6904 310.1488 310.1504@4.1450005 259413 261029 162946 159102 310.1504 310.1612@1.028 2208 3019 310.1612 310.1697@1.0293332 3870 2284 1380 310.1697 310.1799@1.029 1484 310.1799 310.1948@3.5279999 2328 2913 310.1948 310.2012@6.186333 3363 3716 2915 310.2012 310.211@1.1557499 8906 2668 1987 9558 4692 4068 2609 4886 310.211 310.2147@1.127 13487 5241 10672 310.2147 16-hydroperoxy-9Z,12,14E-octadecatrienoic acid 5898 20269 11755 8367 7783 20426 2098 3479 10690 5160 15403 15475 15946 14063 7092 6816 8979 16297 12592 42048 22698 10258 11422 24860 9945 5691 19826 5468 47063 44848 11752 22959 4073 10500 3643 4427 6579 6625 6656 4699 5067 12162 14459 10344 6462 7955 8340 25344 11764 15486 12529 12450 9133 8243 22782 13930 17563 6318 9053 8484 3723 17076 4749 5922 17322 7365 17071 7593 7645 5165 5355 6820 19567 310.2171 310.2217@1.109577 8253 6101 19867 5386 3467 11772 13349 8932 13236 21966 4406 17826 2872 5007 2630 6796 5360 13234 8929 8930 6243 34734 39263 8599 9405 310.2217 310.2227@1.067 5126 310.2227 310.2323@1.045 1944 310.2323 310.2376@1.047 3634 310.2376 310.2484@1.0484002 5040 4178 3042 9034 6516 310.2484 C23 H5 N O + 5.7896833 2096 2018 2371 1932 1956 1888 2097 2199 1871 2053 2176 2142 3184 2863 2058 1989 3107 4543 2136 2388 4216 4059 3810 3683 4214 3628 1666 1966 1958 1946 2310 2287 3948 3498 1842 1967 3112 2933 2656 2793 2740 2658 3670 3549 4165 4527 3456 4925 2836 3543 2062 2271 2198 1941 3348 3342 2392 2444 2751 2953 2931 2847 3228 3080 3325 3129 3133 2856 3374 2542 2562 4046 3221 3657 3885 4112 3337 3353 3278 2897 2607 2764 311.0352 C23 H5 N O 2661 1321 2001 2375 1909 2194 1964 1685 2707 2906 3086 1955 4008 2918 3559 3294 2846 2869 2984 3146 1945 2306 2174 2310 2600 2087 2341 3088 3735 2064 2225 2516 2597 2652 2823 2767 2839 2314 2610 3252 3056 5354 3458 3673 2846 2678 1916 2328 2412 3245 3145 2448 2782 2730 2912 2963 2927 2862 2771 2860 2864 2892 3467 3335 3502 4165 3206 3000 2868 2717 2530 311.0358 311.0692@1.028 2125 311.0692 311.0842@0.74899995 6578 6623 311.0842 311.11@5.501 3079 3580 1659 1839 2908 3299 4801 4689 5427 5499 311.11 N2,N2-Dimethylguanosine 21453 26249 17070 15818 16582 19267 35248 34911 13589 11994 17921 18687 24308 23759 13069 13313 13398 12445 12744 12400 8179 7830 16038 15494 26524 23063 15879 16173 10568 9916 20704 20483 10827 12399 13238 12520 14820 13342 18766 19115 12823 9977 9189 10399 14551 16312 9723 10133 10397 8905 14193 16716 10352 8197 9732 8605 13462 13094 26287 27151 12084 11090 14551 15909 11609 11694 12325 13080 11789 11367 19698 19345 6974 8583 12925 12512 25359 24027 10683 10106 20956 16779 17423 12389 11154 19837 21719 12657 12021 16824 17054 HMDB04824 311.1248 311.1257@3.429 3787 311.1257 Nalorphine 59021 58758 2899 45386 46040 37910 38615 15684 17049 4683 5071 2601 2142 36645 36145 8960 8158 4601 19652 63538 64249 13846 13715 15684 13711 11133 10938 62079 62553 8969 8329 41935 43454 118555 117398 10622 9473 14053 10886 24593 23988 14227 13025 28086 28435 13026 12896 92919 89735 57181 56758 16963 19096 12249 18714 46013 45194 16833 17268 16687 14694 39473 41869 125713 126126 5763 8473 16222 15670 8989 9806 36375 34614 13794 13323 35543 25945 35183 240776 244378 51441 51719 70698 46719 47881 175108 173058 16489 16767 94777 91073 311.1547 311.155@1.094 15434 311.155 311.1632@1.101 2464 311.1632 311.1851@6.477 1810 311.1851 311.1857@1.148 1620 1559 311.1857 311.2039@1.1346 2073 3312 2332 2354 2346 311.2039 311.2068@6.117 8767 311.2068 C18 H25 N5 27695 25721 54064 55058 30980 3683 15392 15217 26328 67246 1740 35720 34226 9603 36884 3748 11747 34139 3044 33525 18061 17724 33095 27539 41860 42959 33008 35565 45161 46491 5133 67319 50024 52870 8149 7632 34966 38907 4790 4522 311.2117 C18 H25 N5 + 6.0955234 62561 58361 45298 47353 37901 31850 55502 56951 6866 38041 31642 29454 58315 58531 38512 35876 53035 54053 97686 95231 46416 48589 33302 5949 12129 64742 30414 30206 23118 23808 53262 50944 40612 10148 23124 23743 32257 31745 89792 93261 14906 51128 25430 27136 74268 71490 34717 6063 52210 49748 84427 82697 35206 5777 46443 46699 39381 36016 56042 54969 16819 31594 51216 56410 46127 8403 31614 31097 6321 41613 14097 9979 34759 33661 8880 7518 79094 80038 32063 43760 83269 66622 26277 24617 102978 117074 135438 125113 311.2119 311.2126@5.9726877 9376 9797 4898 5080 3261 2598 7707 7832 2894 8931 11250 3358 9352 10424 10118 10956 3165 3166 4100 11397 11967 4650 3693 4213 7187 7998 2752 3087 4796 5283 39017 42310 311.2126 311.2146@0.8065 5448 6683 311.2146 311.2155@1.134125 1925 2391 1326 5227 3072 9369 1298 1350 311.2155 311.2199@1.074 2454 311.2199 311.2255@1.207 1820 311.2255 311.2351@1.0803334 12023 10828 7283 311.2351 311.2364@1.0864666 4410 24440 1909 2125 3348 3995 4372 8589 4673 1984 2563 7643 10489 2402 4717 311.2364 311.2477@1.2016667 22911 18208 22792 18588 28015 32154 311.2477 311.2841@4.116 3548 311.2841 311.3031@1.097 3579 311.3031 311.3454@3.871 3394 3347 311.3454 312.0804@4.9549994 4289 4399 16115 15801 3461 3485 3099 3392 5632 6848 312.0804 312.1272@1.8797272 5303 5398 4610 4947 5559 7542 5342 11590 12692 1999 312.1272 312.1278@1.025 1665 312.1278 312.1408@1.034111 3751 3311 2014 1413 1746 6284 6196 10400 2495 312.1408 312.1565@1.2105 12005 3722 312.1565 312.1586@1.1477408 2108 1628 2683 2731 13417 12887 19685 8648 6990 8881 5231 9320 11443 16066 15331 12712 10398 3410 10952 10677 2474 6211 1742 25821 25455 11186 312.1586 312.1877@1.203 3193 312.1877 312.2051@4.836 2474 312.2051 312.2062@1.153 3704 312.2062 312.2129@1.181 3031 312.2129 312.2238@1.1394999 8604 7749 312.2238 9-hydroxy-12-oxo-10-octadecenoic acid 6794 6032 6774 8834 10839 9187 4679 10203 8567 14034 19995 3172 5052 6797 5978 4929 9464 6301 1841 4823 3363 9941 18224 12024 13815 6579 4362 5986 5440 8036 8053 15866 4750 6216 7491 7472 2024 1746 9946 7086 6241 17421 11703 8749 8581 8286 8318 4214 4585 6006 7275 12065 9492 10355 312.2315 312.2347@1.074 4989 1730 1062 312.2347 312.2407@1.5150001 9416 8181 312.2407 C17 H32 N2 O3 11329 11468 19894 18552 10851 9446 16232 15269 14518 14154 5657 5075 7740 6100 4515 4600 6513 6537 8563 8260 6322 5074 6034 5138 6276 6147 6285 6200 5588 6530 11203 9620 9959 9723 17319 16319 10190 8938 21521 19024 6553 5993 6497 5618 6329 5973 5768 5198 7814 6954 7452 7385 4824 6175 3832 3533 8689 7079 11262 11252 14134 11291 3318 4566 12672 12826 11163 12666 5159 5218 19075 17089 10593 6404 12110 4801 4475 4970 3831 5375 8766 9213 17841 16584 31386 28044 112196 110887 312.2416 312.2436@1.0691818 11702 5747 27332 18594 31749 15026 2153 5571 7290 28809 39797 312.2436 312.246@1.067 14282 22095 312.246 312.2545@1.0706578 15829 15958 16674 11430 19618 18308 15900 15340 11025 22657 17380 13438 51535 47549 16075 17829 8768 9541 19013 17675 15799 84529 13885 38478 18130 28269 22694 54960 19601 19484 10788 27642 28120 12405 37533 13618 21000 20505 312.2545 312.2579@1.0727999 17516 15190 17059 15693 50515 15900 16482 31519 30482 16606 13358 18639 16720 12669 11306 312.2579 312.2621@1.0766876 18999 17794 22791 24422 18878 33744 13039 16740 26030 25891 13821 18555 14995 14450 16437 16044 20340 17880 14546 9973 21499 16847 18872 30602 20134 60268 12116 18353 17477 27427 28701 312.2621 312.2902@4.006 4891 4442 312.2902 312.3159@4.432 6571 6514 312.3159 312.3637@1.128 5059 312.3637 312.3657@1.12675 4528 2221 4505 2881 312.3657 312.9756@2.0404286 5077 3926 2210 3385 2418 2524 2839 312.9756 C17 H3 N3 S2 8111 4312 6621 2559 8889 6315 6424 5261 7745 5699 6299 5266 7011 9013 5263 6463 4222 3849 7737 6960 3874 5116 6268 4307 6391 8392 11368 9817 5569 5153 9353 7666 8465 4819 7766 5885 8381 12405 4822 6103 6893 6596 6561 7701 9820 11076 7067 5147 4757 6218 6110 8194 10928 6584 7929 7625 6902 9971 5888 4700 5139 7231 8578 8668 3878 7163 4991 7332 5447 5584 6550 6840 4211 312.9768 312.9773@2.3987498 18191 7958 1974 3400 312.9773 312.9787@2.764 4478 312.9787 312.9789@2.3677998 8561 4727 5307 3590 5312 312.9789 313.0635@0.86 16217 313.0635 313.0636@0.810125 242396 239810 425236 425706 124112 105874 17440 16103 313.0636 313.0914@1.33 4663 4390 313.0914 313.1018@1.6450001 5684 4069 5617 4809 313.1018 313.1246@2.018 7930 313.1246 313.1334@2.0118 13205 11943 3646 4221 4822 6977 4925 5774 7002 6341 313.1334 313.1372@1.8796499 8793 9273 9410 8201 4633 6753 3806 3744 3004 11107 9333 5059 4433 6292 6386 11376 9285 6276 4813 313.1372 313.1449@4.512 2688 313.1449 313.1558@1.342 12029 10730 313.1558 313.1558@1.49 13986 4608 313.1558 313.156@1.747 10456 7193 313.156 313.1562@1.222 50457 45648 9983 313.1562 313.1721@1.1154546 1678 6294 5375 5486 6455 11096 10774 5362 5259 6471 5028 313.1721 313.1783@5.8932495 4644 3834 5908 12908 313.1783 C8 H27 N9 S2 3769 5263 5200 4789 4600 5253 4362 4254 5964 4979 6366 5080 7766 6878 3453 5236 9775 5135 5183 6276 5156 4852 4635 7104 7915 4188 4754 4469 4398 13671 13532 5607 6212 4475 5643 5755 5317 6780 4261 6234 3640 3744 8444 8845 6858 3921 3434 3445 5558 6312 2306 313.187 313.1918@5.885143 3814 3335 4421 4545 3207 3181 4017 313.1918 313.1999@5.8755 7946 2263 313.1999 313.2036@1.155 2128 313.2036 313.2094@0.80700004 1846 4094 313.2094 313.2096@1.8764998 10981 11456 6731 9344 9843 8781 313.2096 313.2193@1.1259999 3885 2545 6275 3294 2073 313.2193 313.2198@5.849 3407 14256 313.2198 C18 H27 N5 11821 12941 6100 6301 8097 7666 16139 15399 6957 7076 8003 8578 18364 18128 10382 10592 12995 12731 9954 9655 12260 12919 12318 14470 7473 5644 7006 8890 6581 7798 14393 13768 5189 4741 5416 4762 9924 8748 11515 10435 8780 8430 5188 4652 19082 18387 9875 9894 6652 7688 8036 8878 10532 10174 18146 20462 10317 10425 12411 13653 10712 11491 12469 13340 13164 13075 7548 7654 11209 11408 11858 13023 7246 7700 13232 12211 22803 24722 22776 12799 14905 20303 17193 19046 10503 27090 31081 11446 12634 30431 33587 313.2268 313.2281@6.0468 5482 5305 122042 3664 1807 313.2281 C18 H27 N5 + 6.0032964 569666 579025 397819 396952 370625 364286 476630 483455 358976 360878 343482 354924 533666 539664 159123 160985 486667 481045 1060488 1183087 375996 374003 277980 280059 472459 480846 343198 333455 208478 203878 411209 405840 374369 367102 258174 254240 262803 257624 698659 701959 303278 308266 235217 240386 592104 592797 282162 288198 158192 155148 457057 455961 484309 488836 446457 437812 362881 363007 488440 493963 323250 327815 318829 323273 356477 362563 365791 372559 404077 393089 423813 432658 269475 269144 556482 551232 776347 782819 332195 328454 586534 582623 572882 716406 720705 961719 962553 463689 459752 464803 466609 313.2283 313.2298@1.118 3408 313.2298 313.2357@1.1164999 2350 1730 313.2357 313.2511@1.206 1789 313.2511 313.2545@1.204 1714 1602 2547 313.2545 313.2624@1.1331922 28504 22604 6119 14013 8952 3909 3582 9809 5316 15160 14496 3818 2875 4827 4495 5245 5617 2859 5029 5735 5932 2766 3649 1901 4615 2851 313.2624 313.2725@2.914 5395 313.2725 C17 H35 N3 O2 8751 8878 6276 8831 7635 10009 11617 5361 5821 7866 8057 8675 8355 8202 7583 6523 6502 7989 6873 6186 9360 5536 7190 6073 4499 7765 4913 7562 8520 6332 6874 8740 6153 7405 8315 7890 7275 5771 4697 5550 3520 6492 7100 7762 7245 9085 6826 2872 313.273 313.3349@3.847 4069 313.3349 313.3752@6.003123 9641 11381 7602 6857 6058 6135 7558 10059 5404 5360 6483 10018 9080 9573 7683 5090 5298 3223 7747 8570 5209 2309 7952 7259 5731 1846 5153 4073 3262 12273 12212 3604 7927 7854 9350 9093 8243 8748 5139 6533 9078 4787 5481 4512 5008 4960 6691 6427 6603 6262 7091 6797 2782 1751 12437 11694 5180 3005 12541 12812 12364 8235 9114 7833 8270 313.3752 313.7841@6.002 3623 313.7841 313.8492@5.993 1831 313.8492 313.8947@6.003 2682 313.8947 313.936@5.992 1094 313.936 313.9929@1.1104544 3555 3423 1847 6624 7209 2247 2118 9667 10051 2650 2683 313.9929 314.0087@6.0 2561 314.0087 314.0218@5.999 1689 314.0218 314.0396@4.1935 88164 86240 314.0396 314.0459@0.72749996 2769 3830 314.0459 314.0554@2.681 22552 24430 314.0554 314.1021@1.0669999 10802 6897 314.1021 314.1067@1.6803001 3107 7308 7982 71327 48892 4761 4659 6424 9219 9216 314.1067 314.1071@1.889 19153 314.1071 314.1113@1.643 2957 3676 314.1113 314.1221@4.154818 7936 7638 7277 9609 4121 9605 12855 7472 7892 6181 8221 314.1221 C18 H14 N6 6935 7833 7434 7842 9287 10372 6519 5380 5600 5387 6488 6576 16824 17695 6054 7214 6896 10001 8558 10896 9724 20385 22366 2117 6882 9780 10071 8246 7729 15274 14857 32416 33324 4768 7819 8494 12450 12144 28576 28550 25696 5709 6074 7090 7354 6953 6588 9347 9235 314.1284 C14 H22 N2 O4 S 2842 2573 6399 12638 14374 3367 1228 1473 1466 2413 5212 3043 3586 6220 12387 13543 14756 8070 5181 6581 2021 2747 3977 5160 12683 9806 5841 4197 13458 15059 2542 7335 12620 12708 4518 3986 8228 6477 15273 16871 17303 19334 18917 9123 17576 17673 314.1299 C15 H18 N6 S 35285 38395 52124 52011 20764 24320 20988 24596 23289 19628 51380 48137 20544 25729 18112 3759 21013 23138 38639 34532 21603 28848 20338 20046 25729 21427 45770 44742 8572 23327 4858 9759 26793 28407 33364 32226 50624 45955 37033 35663 30344 23599 36765 40597 31791 30366 44979 48637 16338 27859 34229 20026 32550 6273 21746 25283 18927 23300 31053 6621 40570 39565 38259 42428 49549 34332 56948 66901 95029 125836 32179 30248 51786 48651 314.1304 314.1306@1.487 4467 314.1306 314.1307@1.34025 7306 6641 9655 7469 314.1307 314.1358@1.1806668 4383 26611 4534 314.1358 314.1362@1.15575 13102 13668 6013 19282 20095 20018 8535 7028 3884 39606 8434 10776 14293 24679 5003 5912 16093 8548 12105 4729 314.1362 314.1436@7.902 5791 5904 314.1436 314.1436@8.11775 3099 2797 5081 4907 314.1436 314.1438@8.32175 5498 5111 2732 2558 314.1438 314.1444@5.2315 8856 8676 426292 370698 314.1444 314.1456@5.2965 27588 24723 1673584 1635424 314.1456 314.1511@1.1443332 27277 19832 14629 314.1511 314.1567@1.139 20369 314.1567 314.1783@1.0893333 4413 8667 5489 12408 8620 6980 6006 9351 6459 314.1783 Pergolide 7486 5845 6822 6999 4977 8455 9016 8708 4652 7217 7819 11348 8405 9901 9482 12578 9269 11587 5027 6792 4149 11781 4098 9344 16148 19321 10798 9784 6902 9255 5827 5887 6428 4769 11164 7395 7495 13610 10502 9362 8368 10400 C07425 314.186 314.1962@1.0916667 8008 3950 4821 314.1962 314.2225@1.241 3626 7713 3159 314.2225 314.2228@1.4495001 18856 21834 7292 6474 314.2228 314.2379@1.1018077 3503 3566 3233 3213 8520 3687 6488 1752 6087 5178 2729 6943 8919 4842 4599 3107 12429 9238 3519 2752 8203 2695 2870 7018 7144 6099 314.2379 314.2396@1.0643333 12528 14780 7746 314.2396 314.2453@1.086 16484 314.2453 C14 H30 N6 O2 4801 5258 24004 27451 12061 13318 19892 12735 15607 12567 19335 44562 38556 18771 8407 25069 30206 30345 17410 22342 38056 30180 23187 18237 12935 11565 15163 15407 8524 7152 13742 14917 22428 11283 6014 5914 36683 15882 26249 16147 9556 12524 16089 32770 23623 10489 19831 16433 14877 22990 26333 52533 54809 23120 20866 22362 15300 14684 11774 74011 77461 29108 27699 13557 10515 18494 12816 12442 314.2473 314.2935@5.229 7447 8612 314.2935 314.3532@5.23 2826 314.3532 314.3774@6.007 3498 1863 2303 314.3774 314.7966@5.291 4028 314.7966 314.976@5.29 3482 314.976 314.9986@5.597 1856 314.9986 315.0339@5.29 1939 315.0339 315.0912@1.22 22308 21176 315.0912 315.1003@1.2205 5455 4050 315.1003 315.106@0.88422734 17356 17811 6704 5312 31639 31133 16207 21047 28121 28473 5009 4630 7007 7020 16513 16993 19442 16147 16710 24401 24255 315.106 315.106@2.7316155 15238 14944 27149 23155 5488 5887 13289 13066 13116 9549 10361 20318 20360 315.106 315.107@2.6105266 19488 20710 7433 8329 33984 37088 11020 10467 16753 18984 14172 10391 25559 11011 13388 15744 12664 30243 30001 315.107 315.108@2.7295 6311 5242 315.108 315.1104@1.3805715 8193 7544 7063 6718 4300 5796 3962 4776 8206 8086 5993 9580 9916 315.1104 315.1138@1.3745 4196 3328 4672 8509 315.1138 315.1194@1.1509999 10060 9962 33599 315.1194 315.1254@1.147923 5992 7577 4551 4032 6667 6995 4067 4802 3513 4557 9308 14095 2517 315.1254 315.1327@1.1175001 6085 1730 315.1327 315.1339@1.583 3293 315.1339 315.1339@3.085 2629 315.1339 315.1353@1.666 13054 4409 7095 315.1353 315.1387@1.2226666 2622 2351 6107 315.1387 315.1391@1.4595 5606 8687 4664 7115 6934 3841 3949 9693 6017 5658 4523 6090 4009 7588 3542 6286 315.1391 315.1453@1.451 3842 315.1453 315.1506@1.1839999 3280 2683 9616 315.1506 315.1602@1.142 4096 2023 315.1602 315.1753@6.97 7015 6429 4220 315.1753 315.1763@6.895 5410 5155 3077 315.1763 315.1803@1.164 4906 5950 6138 315.1803 315.1873@1.0726364 2779 2255 2784 8322 3424 2989 2261 8305 8129 4773 5003 315.1873 315.1959@1.441 4048 315.1959 315.199@1.1193334 6964 2215 3233 315.199 315.2022@1.1433333 1887 8435 1888 315.2022 315.2058@3.7575 15897 15834 11497 10510 25734 24980 315.2058 315.2098@1.1305001 3741 3206 2822 2409 315.2098 315.2135@1.444 3574 315.2135 315.2192@1.1459999 51320 52601 3972 315.2192 315.2274@1.0960001 5243 2570 15088 12787 2508 8606 13132 2268 2133 315.2274 315.235@1.0943333 1940 1940 2336 315.235 315.243@5.934714 156608 11392 1750 13698 21624 2978 3327 315.243 315.2436@4.0905 4196 3810 315.2436 C18 H29 N5 715419 719500 505996 511725 397915 399085 550669 558081 547256 551615 544381 547327 736508 729785 146792 143380 450225 446603 1671717 1520221 205900 205931 297250 299751 848212 845026 217559 211240 207703 206159 581516 583624 320286 321073 377924 379881 210287 204454 891531 880951 231427 233576 299645 311452 575546 581417 413841 417581 138080 137448 569583 575193 539644 542396 391762 381616 425296 432286 560180 566391 401698 407102 263082 260979 359505 349123 441295 445542 738318 725257 547751 553638 269180 267326 567241 566955 742272 744315 1668 401469 394279 684615 700195 679056 920267 940478 674323 672676 491080 490324 420623 411950 315.244 315.2471@1.106 7357 315.2471 315.2576@1.096 1823 315.2576 315.2626@1.0678333 4056 6025 3502 6283 1818 4886 4480 5057 4422 4245 5227 2210 315.2626 C20 H33 N3 9885 6942 4559 3914 5198 4006 5207 5116 5118 3577 8796 9153 2527 2717 7170 6996 10835 8877 6884 6715 5295 4377 5100 4278 4325 7164 4369 7865 8905 6424 6233 6234 9147 4363 5392 5925 4807 7649 8502 8846 9276 5131 6702 6815 6899 4560 3994 4351 11953 9979 7684 4830 5593 5376 4415 3528 7440 3133 3565 315.2639 C14 H33 N7 O 3689 3531 21476 16109 8655 8496 3953 4309 3615 3929 13331 14546 3223 2424 1915 7325 8050 4072 4072 2912 1492 8167 4942 4973 1739 3532 4080 6023 2392 2712 2445 2878 7577 7103 315.2728 315.2729@1.048 4270 315.2729 315.279@1.204 10118 9929 315.279 315.279@4.4005003 4940 5055 315.279 315.2801@3.9095001 6125 5893 315.2801 C19 H41 N O2 1930 3142 10368 10341 12088 12549 13738 14639 7758 11857 7080 9861 12094 8596 10015 11812 9197 9204 5365 6238 5878 11458 11358 11516 9871 5269 5508 6147 7602 13731 13492 9736 10635 10775 7395 10085 10087 8595 8065 3091 315.3148 315.315@3.9191742 7651 6354 2771 2960 4797 4144 4353 3875 3019 3085 4421 5040 1405 5823 2932 2823 3407 2707 9220 4802 4865 4448 4675 315.315 315.3155@4.1556664 3989 13341 12846 315.3155 315.7832@5.966 2236 315.7832 315.8156@5.972 3959 315.8156 315.8254@5.958 1901 315.8254 315.9@5.974 4777 315.9 315.959@5.96 2432 315.959 C17 H8 N4 O S 3390 3589 5516 5038 3595 3183 3181 3005 4356 4103 3910 4047 2219 2303 2843 2747 3872 3751 2794 3022 4930 4945 2585 3000 2197 2364 2936 2849 3157 3495 4834 4745 3563 3972 5356 5392 3030 3173 5115 5425 3979 3572 4536 4254 2938 2716 3766 4093 5172 5072 4114 3859 3292 2904 3300 3224 3590 3452 3500 2795 4500 4335 5100 4800 4301 4221 4327 4420 4153 3957 2525 3175 3890 3572 4135 4213 3116 3732 3564 3228 3582 3597 4298 4642 4239 3774 3748 2861 2016 1772 2659 2020 316.0422 316.048@5.97 4592 316.048 316.0816@5.974 3775 316.0816 316.1062@3.34 10957 10133 316.1062 316.1067@2.536 15479 11760 316.1067 316.1067@5.97 2254 316.1067 316.1068@2.631 3741 316.1068 316.1139@1.091 1679 316.1139 316.1182@1.5795 14624 13311 316.1182 316.1274@1.577 7395 316.1274 316.1334@1.062 11386 316.1334 316.1334@1.5695 3242 3829 316.1334 316.1346@2.484 2639 2658 316.1346 316.1352@1.376 7223 316.1352 316.1372@3.9724998 21179 21940 316.1372 316.1378@4.2314997 9475 9734 316.1378 316.1427@5.228 22472 316.1427 316.1428@1.1253333 1693 237983 234724 316.1428 316.1428@1.6623331 12396 4408 11351 4970 6179 2823 316.1428 316.1436@5.336 3895 316.1436 316.1437@1.4814999 3248 7178 4651 4801 316.1437 316.1439@1.4474813 4848 4056 7306 7708 8049 10279 6455 11536 8902 7723 4302 5062 4552 19184 8262 4377 6154 5112 5963 9656 13668 18565 9910 4524 12200 8855 316.1439 316.1461@1.205 3704 316.1461 316.1466@1.671 5027 316.1466 316.15@1.438 5780 316.15 316.1597@4.1984997 6939 6810 316.1597 316.173@1.1843333 5160 4011 3971 316.173 316.1821@1.1645 3122 3541 316.1821 316.1912@1.1111666 6459 17561 19487 7667 2453 2438 316.1912 316.1972@1.1595 2190 11892 3512 10221 5387 5689 4655 4791 4376 5470 3774 3325 3257 1787 316.1972 316.2035@1.178 10977 9257 316.2035 316.2068@1.1496129 2574 4206 7506 12759 16427 14435 7517 17988 5317 6981 5484 5211 2254 1694 5746 29840 29258 13135 10158 27329 16555 15925 14209 2394 4895 7705 1805 3213 10681 1957 4083 316.2068 316.2094@1.128 6357 316.2094 316.2211@1.1278751 4496 3130 4494 9186 5074 8858 5546 10483 11465 7828 5966 2532 8515 6063 4009 3222 316.2211 316.2285@1.1148 2802 3878 3022 5791 6009 316.2285 316.2338@1.102 4391 316.2338 316.2443@5.998 6086 316.2443 316.2533@1.0846667 7287 2654 3831 316.2533 7,8-dihydroxy stearic acid 13410 9199 3381 24189 20076 13278 15366 20974 24811 23606 24315 25984 24566 6318 6653 3846 25766 12558 11146 13335 15089 8454 6277 15045 22669 21723 27112 25741 25659 25143 8471 11480 20764 21691 14177 13820 11358 10838 19367 18217 7760 35309 35105 25478 24147 20497 20245 11157 12558 11007 10468 30245 25208 26013 13553 12765 16960 20232 18147 11918 15329 31265 32624 19621 20199 12674 11752 17226 13330 58803 35045 60050 25304 28035 14326 16642 11303 15000 16990 11324 10412 15066 15388 13798 12523 LMFA01050088 316.2625 316.2627@1.049 20837 316.2627 316.2976@0.82 3904 316.2976 317.0776@1.2045 8620 7853 317.0776 317.0919@0.9079999 3893 4656 6661 6579 6005 23109 27401 2244 4766 4590 317.0919 317.1121@2.23 10536 10643 317.1121 317.1278@1.2995 10160 8705 317.1278 317.129@1.1873333 2526 17338 18951 317.129 317.1309@2.4963334 11797 11951 7217 6901 4890 5500 317.1309 Asn Ala Asn 6394 5976 6575 6898 4876 5435 5136 4542 3194 2817 2483 5645 6279 4931 2688 2141 3036 2921 5767 5127 5148 4602 4046 3360 1785 6655 6074 3296 3758 3090 2758 6111 5691 9195 4705 4245 6102 4622 4801 3365 317.1317 317.1591@4.167 4662 4074 317.1591 317.1854@1.0465 7225 3176 317.1854 C16 H23 N5 O2 4965 5090 6359 6023 18306 18949 5097 3967 8254 8162 7175 7137 2497 2936 3486 2863 15023 15293 2984 3090 34773 34895 15910 15848 5314 5470 3772 3878 12857 12046 2032 4354 4316 2591 5428 5390 2443 2428 2673 2558 10845 10698 11510 10912 5131 5220 17434 17881 2502 14574 13070 13209 2321 3977 4096 12773 11717 4301 4634 317.1865 317.1902@1.046175 2551 2179 2033 2473 6677 4037 4103 3128 2962 5728 6565 2056 3421 1922 1718 4570 3721 2299 1946 5136 5442 3379 2789 3301 2667 2571 2624 3872 3984 1917 2268 19327 13885 14486 5263 8378 7973 7559 2789 317.1902 317.1929@4.9686666 8818 14142 13719 317.1929 317.2013@1.093 5513 5418 2293 4004 317.2013 317.2098@1.17675 4907 2475 2018 2170 317.2098 317.2218@4.5895004 3411 3854 317.2218 317.2244@2.5656 10897 5183 6148 9708 10265 317.2244 317.2284@1.097 1978 317.2284 317.2347@1.117 43732 8311 4040 317.2347 317.2502@6.007 1872 317.2502 317.2512@1.058 4076 317.2512 317.2762@1.067 1361 317.2762 317.2845@1.0655 4281 4870 317.2845 318.0196@0.8203333 4980 5650 5971 318.0196 318.036@1.6424 4344 3832 3324 5074 5389 318.036 318.0889@1.129 10073 318.0889 318.0913@1.1383333 5756 5079 10722 318.0913 318.0949@0.911 4039 318.0949 318.1224@1.327 3565 7384 318.1224 318.1227@2.1604998 6170 4254 7772 6495 318.1227 318.1228@1.7137499 3926 3769 7387 8915 318.1228 318.1235@1.3928125 4979 2907 6590 8777 12186 2670 13947 3234 8108 8753 2020 16142 15708 6556 11043 318.1235 3'-Methoxy-E,E-dienoestrol 11494 9135 17680 15357 11144 9513 7871 7558 4227 6670 5082 13754 12607 12063 10117 8190 7294 7657 9213 9959 12171 11769 8382 8912 12898 7798 12901 14818 6774 4782 8911 10760 8352 6223 19995 9124 9782 3246 9552 18103 16634 9226 6415 17386 15688 23589 12712 12398 12364 12384 11914 14853 26338 24732 8977 16081 20575 4400 8395 20374 6195 6899 7074 8866 13508 24950 24887 27267 30133 30189 29255 30799 7773 8129 6912 12834 26935 26788 318.1239 318.124@2.425 6027 318.124 C13 H23 Cl N4 O S 7754 4765 4005 4311 4402 6317 3913 8650 4150 3474 5970 3969 5771 7654 5825 5252 12142 5460 7267 5341 3819 10904 5605 7123 7614 16509 11540 10077 5990 3462 6589 4931 318.1267 318.1296@1.3902223 7983 8459 5415 4285 5525 2550 4813 6582 7610 318.1296 318.1302@2.098 5779 318.1302 318.1315@2.979 4100 318.1315 318.1319@5.8877497 2769 1872 2822 3353 318.1319 318.1422@1.359 4106 318.1422 318.1445@1.2839999 9763 9637 318.1445 318.1511@0.759 4186 3949 318.1511 318.1557@1.0545 1708 3748 1380 3533 318.1557 D-Homogesterone 4417 4430 30551 30557 13878 14104 4383 4878 10599 10858 8116 8001 2273 2018 2082 8360 8415 7379 6887 2883 2898 24684 24026 11178 11001 25889 25874 15030 14958 10860 11339 10009 9294 9649 9782 4452 5415 6338 5838 12902 13312 4932 5510 4732 4506 4340 4995 4302 2943 3175 3336 5938 5781 6075 7019 7968 7807 7884 8613 20375 19438 32727 33017 11357 11065 6674 6343 9997 9741 2149 3777 4413 9973 10281 22145 22375 4274 5201 5346 4722 318.1599 318.1651@1.0676 3582 2494 4118 7158 318.1651 318.1701@1.1389999 3033 3379 318.1701 318.1758@1.143 3607 318.1758 318.1897@1.1055 3109 8690 8185 1901 2877 4681 318.1897 318.1967@1.1712856 2252 5401 6624 5939 7777 2414 3033 3768 12152 10944 10710 4818 5221 2536 318.1967 318.202@1.1561053 1853 2873 5733 6630 2824 12190 5127 4235 5870 7527 4762 8169 7754 9615 2753 4812 3749 2547 1561 318.202 318.2135@1.1260833 4257 3598 2568 4879 5459 4034 2310 5170 8660 2629 3501 3968 318.2135 318.216@1.0975001 4118 4646 318.216 318.2229@1.0784999 2891 1906 5049 7871 7765 1681 9863 4091 2744 7334 7679 3006 3821 16112 12451 2811 3899 3634 3664 18310 4632 9216 318.2229 318.2256@1.072125 3620 5902 7113 5352 4226 3751 7295 5204 318.2256 318.2434@1.068 71794 318.2434 318.276@1.127 3193 11607 7329 318.276 318.2793@0.879 297712 298282 318.2793 318.2821@5.893 2852 4500 318.2821 318.2859@1.139 2777 318.2859 319.0911@3.395 15892 319.0911 319.1111@5.5074997 4478 4729 319.1111 319.1474@4.4125004 8813 9249 319.1474 319.1475@4.5004997 4262 4166 319.1475 319.1496@1.196 1905 319.1496 319.195@6.4767504 11153 11309 3562 4082 319.195 319.1985@1.209 5308 4803 4872 319.1985 319.2036@1.1553334 5820 6755 4634 319.2036 319.2404@1.051 20810 2012 8335 319.2404 319.2487@1.1226 8729 11449 9808 2451 1933 319.2487 319.2501@1.17925 30945 38086 24484 19032 319.2501 319.2604@1.086 3657 319.2604 319.2683@1.0921 2915 5510 2541 2717 2641 4088 3055 2507 2703 3447 319.2683 319.2786@1.1 5895 4155 319.2786 320.0982@1.1815 4210 4670 320.0982 MYCOPHENOLIC ACID 9435 8959 8361 7892 7895 8175 4256 8454 3557 7837 8955 8918 2367 9400 9370 9033 5658 9952 2976 3712 2235 10202 3784 10688 8949 9887 9984 6121 7596 3406 7995 8288 3681 5869 6472 8845 8918 9218 2483 7442 8939 4819 9232 8854 4167 10089 7538 7225 8246 5704 9378 8577 10718 4762 9632 10027 6567 10467 9453 7825 8950 8235 5804 9461 3225 9110 8475 10049 8572 8489 8040 9367 10002 3196 9842 7320 10035 10446 10022 9468 7131 9660 10286 6237 11709 11163 10767 7738 4631 10090 320.1243 320.1245@5.543667 5944 3650 3259 6730 6223 4397 2583 6499 6012 2354 3237 2128 3444 4113 3499 3135 6102 2679 2979 4117 6247 320.1245 320.1273@1.2643334 2135 2102 2220 2437 4367 4945 4714 4149 4157 3171 5737 4409 320.1273 320.1336@1.3805 2628 3787 320.1336 320.1408@1.3075 4401 4470 320.1408 320.1556@1.44 6044 320.1556 320.1637@0.71615386 1537 5595 5943 1824 2999 2937 3962 3731 2223 3765 3573 3072 2544 320.1637 320.1678@1.2685 6910 6201 320.1678 320.2049@1.0393001 5000 1668 1343 1506 1753 1375 1836 1709 2359 1232 1361 1503 1680 6813 4239 1281 1966 1549 1743 1354 320.2049 320.2108@1.237 3672 320.2108 C23 H28 O 13035 12260 11885 13450 3466 5800 5489 6981 1913 7942 9468 12151 11711 4327 4268 2467 11349 11806 3244 5778 7502 5641 18249 1617 4642 2929 13678 10831 3854 4188 3349 5450 11041 10930 10879 88095 79064 2279 4195 14514 11735 320.2125 320.2171@1.1721429 17377 19446 4070 3386 17266 4299 11268 320.2171 320.2253@1.1457999 1924 2248 2005 8109 2025 2372 2518 3889 1849 2709 320.2253 (+/-)14,15-EpETrE 7032 4585 4045 2148 12916 3252 4645 10698 23596 16934 14093 6990 3288 6335 5997 9732 5250 4073 21455 20079 10456 2802 6694 6139 8877 4203 3789 21943 19166 7090 10013 3922 6154 13371 8896 7165 2415 5554 3412 10415 HMDB04264 C14771 LMFA03080005 320.2326 320.24@1.11825 4108 5453 6038 5739 320.24 320.9927@2.755 7014 320.9927 321.0183@1.43 4910 321.0183 321.0608@1.0415001 15737 17039 321.0608 321.1271@7.907 8118 8282 321.1271 321.1699@2.0730002 5539 5818 71003 71055 4828 4796 321.1699 321.1739@3.3845 5269 4841 321.1739 321.1811@1.164 2175 321.1811 321.1886@1.162 2158 321.1886 321.2197@1.1240001 4465 5506 4302 4565 29813 321.2197 321.2304@1.1315 8348 8831 321.2304 321.2344@1.132 6358 321.2344 321.2432@1.1585001 21230 12530 4835 3154 6377 7570 321.2432 321.2479@1.12 3324 321.2479 321.2563@1.0433075 3353 3071 4720 3497 3315 6635 6078 7528 2889 3739 4579 6265 6329 3723 2616 5677 6158 3241 3009 3660 2906 4942 4580 4609 8841 2864 321.2563 321.2622@1.1058421 5473 2581 2575 3085 4326 3876 3497 1810 1827 6379 2999 3356 5008 2427 1725 4964 3628 3000 321.2622 321.2642@1.0467409 4842 4392 8065 6844 2175 2706 6505 7112 3223 6526 4510 6665 4260 2587 6412 6833 4296 5091 3078 2757 6676 10074 10150 5257 5608 15589 14804 321.2642 322.0549@1.5595 2845 2525 322.0549 322.1221@1.2739999 2089 6079 322.1221 322.1227@1.03 2531 2282 322.1227 322.1479@1.5295 8890 10999 8168 10834 322.1479 322.1654@1.236 63864 65686 322.1654 Ergoline-8-methanol, 10-methoxy-1,6-dimethyl- 2636 2475 3462 3734 5931 5623 5624 5342 2776 2866 2302 2251 4901 5298 3495 4258 3791 3610 3203 3471 3011 3240 2456 3112 2061 2224 2360 6277 6173 2350 2294 3695 3189 1890 2048 3816 3843 322.1668 322.18@1.277 8306 2951 322.18 322.1885@1.4377499 8191 10070 11885 13026 322.1885 322.2023@1.1615 3276 1866 322.2023 322.2031@1.4590001 5153 5506 322.2031 322.2049@1.082 11802 13440 322.2049 322.21@7.493 2275 322.21 322.2106@1.14 3620 4363 3695 322.2106 322.2204@1.136 5627 322.2204 322.2421@1.1282222 3088 3599 3513 8126 7064 4457 2645 7691 9149 322.2421 322.245@1.083926 3211 4433 3893 3127 6114 5431 4300 3579 2428 4271 5506 2127 3492 1874 6032 2172 4882 6368 5837 5502 4242 4356 3833 4704 2943 3951 4071 322.245 322.2523@1.0626452 3987 7114 9022 4511 5894 5611 3990 5481 3224 6516 3955 4118 3755 2288 5186 1595 4858 4776 4007 4880 4494 4994 3645 7430 5516 4817 5428 5574 5040 2819 322.2523 322.2585@1.0504999 4110 8423 322.2585 323.0398@1.6830001 11185 13225 323.0398 323.066@1.223 2904 323.066 323.0794@1.212 6162 7332 323.0794 323.0882@2.4794998 7415 7556 3832 3587 4687 4806 6868 6100 5257 4812 5874 6960 5790 5643 3603 3590 3418 4145 5127 4921 8752 8758 6664 5908 3492 4324 3036 4777 4402 4074 9300 9106 6838 5459 323.0882 323.0944@1.189 29949 25437 323.0944 323.0959@1.31 5373 6688 323.0959 323.1286@3.4610002 10892 11775 50097 50754 51790 51201 323.1286 323.1648@2.93575 4526 3193 10459 5178 323.1648 323.1649@2.7958333 13762 13469 19858 21987 11983 13929 323.1649 323.1671@2.968 2630 323.1671 323.175@4.1295714 8928 8988 12528 13050 45755 6133 5845 323.175 323.1757@3.942 45038 323.1757 323.2077@1.1471999 2029 5047 1926 1819 1763 323.2077 323.2118@4.16675 8372 8530 3651 4865 323.2118 C18 H30 Cl N3 16999 18700 2652 8974 18435 14285 10460 12368 1790 12669 13274 2284 2143 11903 9461 4629 5489 3948 4122 1893 2523 2849 5091 3513 2330 1834 5543 5185 2321 10769 5231 3087 5035 2291 4640 8505 2064 4435 4119 323.2135 323.2265@1.157 4966 323.2265 323.2331@1.1993333 2817 1743 1701 323.2331 323.2436@1.177 1732 2677 2554 323.2436 323.2518@1.1493334 2220 2799 2191 323.2518 323.2583@1.1354 5172 2357 4345 3348 323.2583 323.2666@1.176 2456 323.2666 323.269@1.1283666 4332 4009 1675 5663 4717 3799 6049 5441 28556 25360 50001 51298 3183 4147 4260 11619 14945 24570 22725 5748 5466 6215 6299 3421 5192 5008 5898 5251 2364 4011 323.269 323.2769@1.1377599 5487 5386 8897 5848 3946 1858 6772 7442 6232 5830 7311 20637 2711 1554 6152 5860 5584 3754 6731 4635 6146 11137 9567 12483 14488 323.2769 323.2801@1.035 2423 1777 323.2801 323.2836@1.0415001 2914 13206 323.2836 323.299@1.0573334 3031 2555 2112 323.299 323.3019@1.057 2106 323.3019 323.3074@1.0603548 1744 2153 1838 2360 2824 3391 2318 2078 3299 3464 2153 2491 3913 2013 2067 3269 3392 2433 2668 3101 2131 3759 3345 4050 4001 2270 2899 7496 5845 2470 323.3074 323.3135@1.06025 1838 3578 3740 3641 2562 2555 3254 3420 323.3135 324.0297@1.4105 10074 9570 324.0297 324.1673@4.11475 1433272 1439237 450420 439592 324.1673 324.1864@4.4172 4457 4754 27869 27109 20018 18819 5252 4493 7271 7576 324.1864 324.1928@1.2506667 8396 6942 1944 324.1928 324.1958@2.571 5653 324.1958 324.2013@1.1608 7089 1832 3081 9460 5173 324.2013 324.215@1.1415 5040 2406 2194 7552 7886 6072 324.215 324.2166@1.044 9720 9742 324.2166 324.2191@4.974 1471 324.2191 324.2206@1.417 3349 324.2206 324.228@1.13925 4099 4353 22363 6794 324.228 324.2316@1.0906667 5645 28686 7567 324.2316 324.2327@1.0779737 5297 8015 3304 8117 4609 29124 8942 6245 5440 13787 4511 30194 2196 10148 4551 14886 3055 5516 4662 17136 18581 6525 2503 23624 5945 21639 12714 25853 18537 23886 8528 18378 4159 6032 4625 4538 4336 4113 324.2327 324.2427@1.6689999 6295 6860 324.2427 324.2428@1.4186249 18964 16777 27789 29157 47480 48020 7714 6792 324.2428 324.2438@1.1014 7326 11207 4774 3098 4458 324.2438 324.2576@1.106 2371 324.2576 324.2619@1.1472499 4840 2477 2157 3549 324.2619 324.2734@1.2059 5140 4764 1134 2475 4452 4230 2192 2343 8967 8230 324.2734 324.2779@4.3175 5029 4578 324.2779 324.3167@4.1135 37068 5477 324.3167 325.111@4.7925 6008 5822 325.111 325.1198@2.50525 5859 6200 7404 7592 325.1198 325.1312@1.665 17821 325.1312 325.1324@1.6863333 6246 5976 3031 4717 5129 10583 325.1324 325.1615@6.706 2454 325.1615 325.1773@1.165 1660 325.1773 325.19@5.604 1668 325.19 325.1929@6.139571 5215 4179 8815 9072 3167 4278 4067 3635 5137 5134 4216 2708 3547 6549 6430 4432 5303 7622 8288 10124 11396 325.1929 325.1961@5.627834 4285 4846 2374 3110 4742 1909 3545 2101 6642 2997 4002 6717 325.1961 325.2025@1.0899999 3399 4775 325.2025 Leu Pro Pro 3540 2028 3807 6028 5524 6557 3237 3080 6021 7583 6367 6623 5867 8369 3852 5046 4041 3745 5401 4373 6387 5549 5643 4531 7164 4356 4766 2786 4004 4577 5298 6637 4818 5174 8249 4062 5724 6147 8530 5949 6467 6274 2562 9044 2787 7331 4680 5364 3432 6305 7189 4514 8517 3599 8005 7203 5625 7475 325.2035 325.2058@1.0826 7832 4192 3672 4107 3693 3374 2908 3498 2472 2791 325.2058 325.2242@1.118706 2040 3627 3302 5948 6672 3782 3034 2835 2878 2983 6292 3194 3151 2141 3064 3339 325.2242 325.2292@1.1141667 4728 4236 1605 4637 5737 5922 325.2292 325.2418@1.231 3154 325.2418 C21 H31 N3 2632 3174 3867 2744 2480 3163 3370 3712 3247 3003 2683 2577 2233 2838 3038 3112 2786 3280 3213 3713 2686 2779 3066 2656 2780 3733 3194 3262 3415 3490 3326 3493 3662 4400 325.2478 325.2577@1.1623334 2496 4466 4477 325.2577 325.2823@1.1645 1970 2095 325.2823 325.2904@1.1602857 2242 3116 1583 2680 3872 3774 5802 325.2904 325.2927@1.1604232 3101 7143 3055 4120 2351 2575 4563 4440 2754 2286 2106 2250 2514 2768 2956 3405 3195 3214 2777 2482 1794 4802 2590 2739 8419 9728 325.2927 325.3863@4.122 1756 325.3863 325.8756@5.523 1067 1281 325.8756 325.8799@5.5175557 1459 1168 1045 1266 1215 1052 1173 1299 1158 325.8799 326.0037@1.069 2042 2457 3618 3484 2700 2468 2364 326.0037 326.0593@0.82907146 7083 5657 21554 21687 9705 8588 20421 18933 18062 20433 4725 6253 5634 326.0593 326.0944@1.393 7085 326.0944 326.0949@1.394 3653 7082 326.0949 326.0977@1.230375 11945 11791 42725 41557 3379 3358 10913 11748 21315 22710 3019 4753 1831 61887 62079 326.0977 326.0993@1.969 3642 326.0993 326.1207@2.8495 4416 4720 326.1207 326.1215@5.356 7506 8083 326.1215 326.1833@1.213 2268 326.1833 326.1948@3.1707501 5688 5992 6725 4857 326.1948 326.1956@3.514 8380 8405 326.1956 C15 H26 N4 O4 7870 7050 10075 5573 14089 13585 12868 10383 6128 6909 10673 9053 19184 19361 636123 629564 4488 17990 21649 7647 9914 20973 18240 14248 16910 1.35E+07 1.35E+07 502666 499635 1402033 1388583 9068 7696 15911 15549 5761 4372 336368 335716 23885 17014 10400 9379 5687 6482 5728 7693 9501 9539 9828 13066 24139 26916 8986 7441 22930 23004 6375 7582 13797 12538 929674 905080 15205 13923 9865 11985 4866 1805501 1812146 4934 6030 10350 7474 4550 6067 22294 22368 326.1958 326.196@0.918 16860 326.196 326.1962@1.2244 4542 4240 2182 8037 4021 326.1962 326.1992@4.4434996 2473 4092 326.1992 326.2018@1.2065 3802 4702 326.2018 326.2058@4.973 2086 326.2058 326.2086@1.1922222 1628 9032 4303 4359 3660 2488 2143 2194 5764 326.2086 326.2198@1.1791667 4247 3094 3489 3882 6137 5120 326.2198 326.2277@1.204 2628 326.2277 326.2363@1.1409445 2652 3302 2493 1440 6051 6486 5291 5504 8504 5379 3108 6002 3293 7949 2141 4502 6022 9976 326.2363 8-methoxy-13-hydroxy-9,11-octadecadienoic acid 18735 17442 25900 27921 32139 8197 31676 38308 26930 40141 28640 29440 24726 16841 57621 55919 26134 38201 34369 46483 12526 22773 32949 22811 26606 18125 27534 18819 24749 7363 22270 15948 16076 22346 33055 34768 21292 28527 28194 16895 15433 27585 27586 22271 29356 36801 34834 20262 22668 35913 33719 25675 24274 5862 29772 28881 28783 36413 35600 39918 40356 22066 17286 21385 19215 23863 23943 15571 22491 15832 13179 20672 32266 24235 24293 24480 5158 37729 4973 31535 34107 32186 44716 29902 29206 23750 32701 40086 39278 30334 29840 326.2466 326.2476@1.0938333 24494 2549 22142 22983 12303 23291 326.2476 326.254@1.041 1857 2109 326.254 326.2597@1.04 1292 326.2597 326.2657@1.039 2565 326.2657 326.3457@3.1375 6992 18882 326.3457 326.3482@3.199 2592 326.3482 327.0953@5.639666 7460 7018 44652 45223 6956 6108 6365 6502 5031 4647 19083 19734 327.0953 327.098@5.8164997 15433 16926 327.098 327.1057@1.2998333 8274 6887 10213 8813 15099 16502 327.1057 327.1195@1.292 8954 13407 327.1195 327.1366@2.4055 401369 140460 327.1366 327.1369@1.3388752 73457 74242 23013 23081 53302 36038 63545 73801 327.1369 327.1374@1.403 19416 327.1374 327.1526@1.20875 3478 3514 8056 6939 327.1526 327.1562@6.74575 14767 14868 3826 3973 327.1562 327.159@1.2087778 22886 2453 13203 9151 9092 2212 14342 9153 11825 327.159 327.1678@1.2104 4118 5773 2930 5742 5137 327.1678 327.1723@0.880625 3744 4820 4950 3376 4999 6000 3466 3700 327.1723 327.1996@3.187 5474 3337 327.1996 327.2061@6.8645 4149 3898 327.2061 327.2086@0.867 5471 327.2086 327.21@0.806 123587 127629 327.21 327.218@1.197 6315 327.218 327.2372@1.2092 4905 3004 3418 24918 4891 327.2372 327.2418@4.119 5302 4050 327.2418 327.2428@5.974 6250 3532 3791 1515 327.2428 C19 H29 N5 9943 10342 14841 13639 12968 12019 16317 12863 10484 11254 8443 8491 17640 13296 6255 6387 6443 6120 7913 7410 8433 8031 14174 15256 13365 14233 3915 4564 10241 9329 20045 20042 40313 8562 8164 7588 7283 7562 18518 17446 5642 5499 5447 5882 28158 27548 11695 12312 7614 7527 18869 20422 7510 7876 14146 13247 12049 12183 13471 13218 8994 9011 10948 10582 8511 7848 7093 7633 9828 9921 8569 7565 7155 8001 10368 9899 20493 19892 20164 15247 16301 15771 16449 15231 11720 12210 26336 24680 8907 7835 21876 22443 327.2432 C19 H29 N5 + 5.9376745 33210 32292 39374 32633 47469 48086 75556 77697 29592 30016 18439 17850 86740 82724 22921 22101 13485 13926 20973 22033 24438 24552 46447 43670 24288 23365 14232 14130 43103 42935 36703 35112 22065 38078 24598 25394 26015 24393 28180 28559 11950 12618 37338 37177 47132 47486 42482 40616 35974 35300 28442 27958 34288 30725 19458 14466 29299 28195 46454 45957 20770 19829 19568 20621 20793 22089 14118 14914 25590 25254 20888 21012 27109 26090 34017 33249 56737 59052 57119 26907 27892 32326 32209 32148 48293 49674 37527 37543 15354 16293 71033 69283 327.2432 327.2441@1.1087778 9472 9093 4135 11171 2171 10770 15945 2877 10301 10126 16629 10451 12493 13228 17385 4205 4672 10651 327.2441 327.2805@4.1619997 2705 4312 327.2805 327.287@2.365 1438 3453 327.287 327.2897@2.3866665 2756 2789 2237 327.2897 327.2987@1.165 1715 2106 2310 327.2987 327.3082@1.1724 2211 2085 1985 2609 1160 327.3082 327.315@1.187 3565 327.315 N-(2-hydroxyethyl)stearamide 6125 6576 15178 15803 29669 26910 11976 11210 60579 60813 63729 66848 3164 2912 26781 26530 15641 20656 55119 55157 18944 15837 53651 53449 29299 27856 18374 17743 2405 9684 10256 46094 40171 29010 30900 27540 25196 23405 29565 11013 9565 33158 32467 15853 11840 33596 33643 13540 13621 15992 14789 72572 74233 12114 15816 43172 45331 10531 12587 23564 13968 23246 29610 21314 6933 6736 6158 12249 10909 7820 9536 20545 19272 327.3154 328.0002@1.0716667 2340 2377 3669 3664 2647 2110 328.0002 328.0699@2.6815 48972 44681 328.0699 328.0829@2.0563335 4022 4125 4126 328.0829 328.1024@1.0955 12745 10954 328.1024 328.1226@1.7545 5412 6735 328.1226 328.1228@1.632 20886 18473 328.1228 328.1341@1.1283332 6708 6353 6397 6585 5454 5255 328.1341 C13 H20 N4 O6 5597 6573 3388 3902 2312 2625 2274 2456 4622 5121 2162 1394 3091 1229 2516 10083 9523 1819 2138 10299 9762 8454 8396 7281 5171 6252 6366 2693 2658 2585 5018 5383 1309 1261 5005 4717 1996 2399 11219 10849 3771 3186 6319 6421 7281 3025 5619 3263 4905 5223 6061 6072 5322 10610 6045 6369 5831 6010 2522 1418 8060 9152 2124 5401 6624 7374 3857 3656 3428 5196 6615 5691 7082 6776 7158 5371 6297 5140 6557 8555 8495 2667 4180 2768 328.1373 C12 H24 O10 2536 2529 1352 1982 2077 1484 2342 2683 2442 1395 4655 4466 7487 6815 4776 4991 5573 6475 2784 2818 2529 2066 1979 1994 2246 2648 1829 5932 5579 1242 3105 2644 3807 6866 2693 5588 2731 2927 2571 3273 11032 5818 2689 2719 1369 1422 2447 5473 4922 5571 2966 3700 4207 2425 2849 5184 3031 3642 3224 3374 2926 3469 2217 2384 3537 3278 6222 3718 4092 5064 2772 2227 1692 2437 328.1373 328.1392@1.345 11627 328.1392 328.1403@2.523 3628 328.1403 328.1701@1.381 4306 328.1701 328.1728@1.4194 4634 8724 4142 6744 4159 328.1728 328.1789@1.2127645 3550 5016 11252 11709 4601 5173 4303 4952 7523 4966 7062 5409 3230 6211 22064 20986 6780 328.1789 328.187@1.213294 4116 4708 4992 3449 4773 4228 2393 2720 4753 3557 5297 3107 3343 5359 2940 2614 7159 328.187 328.1991@1.20525 2522 3339 1699 2177 328.1991 328.2091@1.0469999 2370 3670 8533 1204 13344 12625 4799 10632 8638 12124 9273 7175 15629 12840 91802 328.2091 C18 H32 O3 S 35050 34442 44706 45533 47102 47235 44895 45735 36465 40116 67743 65574 65419 62272 90721 87455 78506 79854 70448 64201 92948 92156 85605 86081 100717 96537 117176 117246 114713 114539 55000 57943 43110 39337 46691 45462 47398 47202 40788 51960 58897 61858 69150 72305 62058 63840 77593 78286 83226 81540 124367 123065 72842 71853 74126 83085 84551 82283 100594 89578 50668 51277 56290 58110 54904 57617 119765 112280 53469 53675 75731 78028 90632 96770 98274 98074 81718 68991 83069 66104 71859 82745 125193 123088 114564 117496 158347 154048 93089 14701 95688 96061 328.2093 328.213@1.2075 2298 2136 328.213 328.2181@1.1382501 3231 2391 3014 7109 328.2181 328.2274@1.1327499 2791 3992 2613 51757 328.2274 328.2346@1.1477499 5619 1796 16355 30737 31402 13010 32728 31411 19041 19806 20924 18820 32492 31844 16221 22712 38835 42994 27334 38286 328.2346 328.2432@1.143289 22176 23146 9189 12025 28831 25467 12744 18553 12385 13536 9817 14815 18378 13204 15959 17413 19377 20921 6402 9373 9503 10784 14271 19817 23148 21793 10639 26979 30160 16222 27653 22679 31078 33596 23887 26021 28940 25935 10032 11205 7733 10334 22509 24473 25863 328.2432 328.2449@5.956 1497 328.2449 328.2499@1.1371666 9770 9979 10143 4260 23951 26923 328.2499 328.2541@1.1415001 35513 32251 9846 9936 14936 15675 16856 24837 13118 11260 16191 15723 14009 328.2541 328.2645@1.14 8076 328.2645 328.3014@1.1656667 1802 5609 4627 328.3014 328.3082@1.174 1776 328.3082 329.0765@2.0495803 4706 4564 4750 3898 4446 4316 4523 5237 5151 9414 8866 4915 5258 5789 6267 6304 6260 4659 8792 8253 6156 5612 6075 6101 4257 4837 5310 4672 5743 5481 329.0765 329.0841@0.83150005 5287 7757 7306 13148 13614 329.0841 329.0848@1.2072499 2130 5637 6211 329.0848 329.0972@1.75025 3239 3522 4866 4139 329.0972 329.1222@1.2514584 138879 134831 23436 22916 20582 19491 397055 394249 72089 71408 71194 71762 141407 142262 27620 27565 75395 76826 22577 25588 23294 25868 29550 329.1222 329.1244@1.3243333 7281 7542 2826 2591 2198 3824 329.1244 329.1272@0.923 1352 329.1272 329.143@4.098 210936 209020 329.143 329.1869@6.8798 2861 12539 12547 3624 3146 329.1869 329.1933@6.8438005 3590 3179 4214 3380 3084 329.1933 329.2003@1.3025 21603 21872 329.2003 329.2007@2.345 10582 4161 14089 5659 329.2007 329.2008@3.7185001 42742 43803 329.2008 329.2058@2.1999092 5674 5924 3654 2186 5857 5916 5048 10111 6090 3823 16166 329.2058 329.2062@2.5974998 1201 2384 329.2062 329.2102@1.2905 4227 11588 329.2102 329.211@2.0767999 4134 3183 5343 4872 10131 5281 5504 6445 8259 4084 2199 14656 3433 3669 2214 329.211 329.2148@1.1436666 2983 2323 6646 329.2148 329.2212@2.0375001 5830 4087 3160 4674 2611 4661 1906 4586 3667 3485 3730 2846 329.2212 C18 H27 N5 O 3571 3386 3179 2227 2658 8932 10465 3790 3582 2842 2371 4073 3530 2661 4716 3694 5171 5195 5818 3790 3807 3144 3524 3677 3816 3269 3301 2020 3695 4425 4177 4826 4063 2566 4471 4558 2273 2460 7433 7820 4638 4559 3342 3710 3578 6121 4367 2780 4704 3384 3488 2720 5726 4673 2525 2385 3601 3203 4390 3198 2887 3338 3203 6215 5937 4213 4044 2973 5869 329.2222 C17 H32 Cl N3 O 7177 6484 5505 4254 3657 14191 15084 9061 8132 2881 6134 6440 5061 5062 4131 4516 3686 14743 3124 4369 5438 4725 6561 7847 2962 3824 3167 2817 11919 10418 4297 3706 6254 5328 10095 10172 23512 23615 8887 9478 5629 3671 5576 5831 3961 4748 9550 8899 4865 3994 8868 8101 4079 13908 16159 4471 5543 7013 2706 3363 4608 4559 40187 39000 14946 3620 15453 2781 24487 24380 9684 8611 3084 3941 329.2222 329.2225@6.46741 2741 4293 5737 7102 7965 3817 3736 2297 3734 2795 2604 2530 3194 3990 2816 5704 3539 2810 3377 2539 2259 2922 6048 3224 7294 3141 5705 10961 11307 6805 6920 6730 4088 3946 6254 1853 2496 7180 3195 329.2225 329.2226@6.4901505 4042 4807 2927 14217 4324 3157 4938 5319 3630 3862 3861 5535 3165 15141 3208 6336 4219 3805 3905 6452 329.2226 329.2237@6.229 4770 329.2237 329.2294@2.0236666 3658 4247 3775 4079 2435 1784 329.2294 329.2342@1.207 5347 329.2342 329.238@2.0335 4600 3437 329.238 329.2409@1.1921428 3559 1788 1166 2297 4768 2237 1939 329.2409 329.2459@2.0194998 3011 3092 329.2459 329.2474@1.1856667 3998 3014 2225 329.2474 329.2476@0.89771426 6967 6115 4326 5386 6720 8301 6285 329.2476 329.2534@0.903 5824 329.2534 329.2552@5.921 2442 329.2552 329.2572@0.84800005 5530 8155 9549 5054 6469 329.2572 C18 H35 N O4 5238 8793 16112 7268 7462 7205 13497 10676 8786 16369 16401 12907 6764 6062 4124 7388 7348 20766 20016 17089 11312 22322 23970 24409 25046 8158 7717 6813 7866 13563 13730 8487 5846 6428 7281 7471 7808 9140 7795 11356 10468 14197 12173 8612 13317 13687 10188 7773 15912 14645 8537 8127 17037 12591 6691 11174 10050 17510 9495 8176 15745 8506 6243 6934 8489 7085 8413 6808 20337 12657 8103 12420 11415 8118 10114 18171 15932 4655 6012 11433 7496 6796 7713 15759 16251 14080 9427 329.2572 C19 H31 N5 5930 6260 6649 6620 5913 4381 4282 4229 5131 6489 7651 7368 5127 4999 5283 5467 5951 5747 8065 10360 4768 4399 9837 9686 5245 5313 4314 8534 4032 4421 4953 6178 5931 5011 4959 6950 6844 8603 8703 9225 7531 8126 7880 8326 7812 13813 12951 18667 20082 6810 6170 329.2579 C19 H31 N5 + 5.9000473 9578 9838 12299 11020 10921 9265 17344 18612 8045 9030 6432 7331 15746 9120 4198 4963 14868 13736 3817 6480 11591 9120 9568 5017 5717 11475 7548 7426 7847 6355 6700 4676 8425 8710 3698 3591 6269 5352 9648 10076 8908 8710 4975 4725 10024 11661 8986 7099 5920 5692 4413 6310 11273 3187 5966 6714 5017 5285 5711 5584 5851 6357 10802 9996 7632 7323 4899 5767 9697 9424 9871 8889 10389 7909 6748 8289 9013 7137 8679 8616 14860 13898 7206 5380 10517 8740 329.258 329.2582@5.831812 7711 3035 2785 6396 5956 7240 2539 5250 6302 6231 7033 8231 5735 5043 2713 7742 329.2582 329.3283@3.934 5021 329.3283 329.338@1.259 1882 329.338 330.0352@3.94 2533 330.0352 330.0867@3.6430001 7165664 7183901 330.0867 330.1056@1.199 2173 2869 330.1056 330.1233@1.1045 5465 3672 330.1233 330.1233@1.172 21857 24959 330.1233 330.129@1.34 10660 330.129 330.1388@6.962 9985 9617 55820 57483 330.1388 330.139@6.69275 20135 20475 354514 355554 330.139 330.149@2.06 1831 3455 330.149 330.1516@3.9635 52866 50003 330.1516 330.155@2.06 3558 330.155 330.1702@1.112 2010 330.1702 330.1884@1.2003332 8698 3906 4000 330.1884 330.1995@4.559 8786 330.1995 330.2019@1.216 1709 330.2019 330.2117@1.52425 21923 22903 9940 8913 330.2117 330.2205@1.1693333 6952 7262 1779 330.2205 330.2308@1.201 2916 330.2308 330.241@1.159 3130 3049 5063 7918 330.241 330.2495@1.1621786 2980 15748 3773 2494 32747 31956 27831 23521 2627 5344 4172 7908 1931 2406 4788 2196 2347 15676 3262 3721 2950 9073 5206 4349 4071 3492 14860 330.2495 330.2509@2.015 2812 330.2509 330.2531@1.158 16170 330.2531 330.2536@1.1585 11876 9980 5941 2530 3030 3428 3539 10868 330.2536 330.2541@4.9917502 11476 12834 1887 2118 330.2541 330.2543@5.05375 18402 16407 4595 4391 330.2543 330.2548@4.6654997 7041 3230 330.2548 4,7,10,13,16-docosapentaenoic acid 5993 18339 19263 11129 11535 14351 12976 9648 10033 7515 6677 12015 12500 7832 9473 4840 8828 6486 6614 13411 13481 15302 14949 18578 17092 9576 9206 13568 13211 10128 10655 17572 16466 14419 12819 11316 6979 5338 7910 11626 12342 330.2576 330.2711@1.1345 10123 8419 330.2711 330.2761@1.1167142 327597 35350 13853 12145 9909 11829 15043 330.2761 1-hexadecanoyl-sn-glycerol 268378 274443 362227 14051 189573 191247 431759 465896 304913 307240 227637 222799 327326 313151 204938 197824 219794 215475 302866 233947 162210 174024 124405 107014 184653 237938 203050 202060 150642 140452 292015 281215 331133 337428 280149 281712 275000 272814 331583 328153 248820 262840 225182 209930 199991 205177 248813 241045 220047 236513 251171 260434 169411 169438 259951 246698 174170 160023 251912 252170 323338 333756 392283 376917 263158 264236 231565 228676 275708 243762 421097 434880 256658 309623 228282 247288 217272 246399 206874 245083 226227 233621 238685 232251 141752 137170 247709 243127 503987 506126 140732 125787 330.2792 330.289@6.686 4939 330.289 330.9698@3.67 4605 330.9698 331.085@1.19275 4596 3762 8744 9115 331.085 331.0904@0.8485 7030 6411 331.0904 331.0918@1.184 6349 2505 2530 2399 4024 331.0918 331.1004@3.07 3490 331.1004 331.1013@1.6679999 10681 12462 9987 10585 35526 34808 331.1013 331.1014@0.9004286 27003 26114 12238 12208 5065 5685 4124 4734 18717 20691 13259 14362 45996 46057 331.1014 331.1019@1.4161428 45382 46916 16955 16892 8502 9306 8765 8135 11307 10869 36517 37582 148836 150094 331.1019 331.1045@1.042 2311 1939 331.1045 331.1292@2.628 18859 21998 3505 331.1292 331.1445@2.0600624 10516 10245 3205 3550 5817 6371 6680 6034 4942 4439 4261 16918 16263 8401 8200 331.1445 331.1503@2.067 2712 3089 331.1503 331.1597@4.211 4112 4687 331.1597 331.208@6.68 2787 331.208 331.2194@1.197 5595 331.2194 331.2331@1.1583333 7255 3932 5795 331.2331 C18 H29 N5 O + 6.6216607 8437 7818 5713 5261 6970 5982 12825 12746 5817 5474 7898 8121 4152 14216 17214 3625 7568 7413 10055 10631 2658 4589 4322 3333 7242 7949 5032 5355 4138 4435 3639 3971 3621 4232 3685 1814 3241 3603 3483 5833 6230 3531 2668 4354 6641 6870 4661 4642 3676 3833 9846 6777 3390 4414 2899 3200 331.2373 331.2374@6.594 1067 331.2374 331.2379@6.58125 3079 30028 2289 4656 331.2379 C18 H29 N5 O 47666 49634 46181 44693 43624 42938 48767 49695 33506 33774 30658 30382 71217 70443 14256 14527 44256 45267 70970 71789 18897 18767 44211 46677 35574 34731 16253 16837 15917 15977 69041 68618 48738 52402 22538 20844 36387 36961 72087 69864 14000 13956 21625 22744 87148 85845 44795 44519 13301 12965 49700 48400 38234 37061 45960 44928 45040 45773 56992 55492 29264 29030 16721 17152 22723 22486 37799 36701 46972 17133 33494 32917 22156 22993 62069 62477 54232 59946 27908 26267 61687 65684 62569 59123 59103 48709 47866 38728 37304 47021 48477 331.2384 331.2419@3.692 5960 3971 331.2419 331.2483@1.154 2099 331.2483 331.2554@1.1556667 3489 4331 2368 331.2554 331.279@1.1085 3799 5219 10396 2016 3891 4565 28801 28027 331.279 331.3154@3.642 24694 24760 331.3154 331.325@3.7534 16051 13360 4128 3389 9788 331.325 331.3253@3.6424167 12269 14325 4389 6157 5026 8551 5620 4529 4589 4614 11189 4842 331.3253 331.3253@3.6796665 37540 39862 12489 331.3253 331.7695@3.675 2061 331.7695 331.7828@3.662 2675 331.7828 331.8157@3.628 4711 331.8157 331.9116@3.63 2176 331.9116 331.9652@3.63 3232 331.9652 332.0162@5.503 1080 332.0162 332.0716@1.2055 2125 2530 332.0716 332.0783@1.208 2337 332.0783 332.0914@2.4003334 19894 9963 17530 332.0914 332.1117@6.744 8965 9690 332.1117 332.1236@1.413 8307 12025 332.1236 332.1357@6.711 2550 332.1357 332.1374@1.678 2492 332.1374 332.1375@1.3924444 11693 17611 20136 7474 8271 2971 19911 30090 19097 332.1375 332.1393@1.3948287 15233 11451 4121 23266 7865 10760 16160 7145 7159 8380 11482 30046 29819 11603 8207 7259 9078 26949 18249 25096 5931 7983 27161 21216 12719 11346 10160 9509 12380 9405 27094 22367 11240 8941 11128 332.1393 C22 H20 O3 15802 29357 41584 41663 13621 15042 10028 9397 11931 19968 5817 34089 10409 20579 14150 8327 4071 13684 18331 20504 4262 4176 3713 12829 12123 27208 14146 22566 26351 21969 23567 9838 15604 17588 15915 13793 21791 4531 15351 24301 24241 11664 12124 8449 34330 26425 14584 20114 24138 8363 14882 27447 27564 36638 44893 10911 38066 45800 37105 4641 3121 26540 28104 45877 43490 2232 2945 4935 4850 16839 29613 29464 22943 78464 77366 65893 34393 33849 37388 34709 3481 10107 53771 43680 332.1398 332.1401@1.2104 5613 2052 1796 27720 31532 332.1401 332.1421@1.3525 4758 2300 332.1421 332.1423@1.3575001 11278 4701 19750 12405 12055 16392 6569 3210 10521 10477 332.1423 332.1643@0.80050004 2108 2594 332.1643 332.1958@1.14125 2935 5533 2903 3439 3438 9667 10238 1626 332.1958 Val Ser Lys + 1.0849711 14482 13711 13350 13796 17499 20164 30855 24210 8136 11924 10089 12082 23560 25894 8455 22452 22287 10993 7225 17385 25210 12815 12790 9784 15383 2187 13899 17121 13154 8692 16730 16913 22423 19902 16757 13593 13915 4576 13184 12445 5607 5374 8706 11514 4944 4823 5485 9937 18677 5962 4217 8858 13318 2239 14069 5735 6933 13463 12929 7184 6689 5051 4864 8362 2928 13880 21456 21390 5547 332.2024 332.2035@1.1392858 3430 4107 5102 11921 4875 8051 2264 332.2035 332.21@1.1566666 3007 4531 4372 332.21 332.2111@3.513125 5290 5508 6351 5840 6780 6437 3561 5787 332.2111 332.2196@1.1294 8851 3884 3428 3211 2611 332.2196 332.2207@1.4495 3933 4687 332.2207 332.2253@1.0675 9738 7160 332.2253 332.2381@1.112 2426 332.2381 332.247@1.0855 7929 6417 332.247 332.2645@1.187 3601 332.2645 332.279@1.100389 13078 7922 12008 7443 6503 3975 7671 7452 5713 12292 5393 6940 5211 6631 2122 2586 7961 7127 332.279 332.2931@0.866 4238 332.2931 332.295@1.10725 255988 263048 10124 10081 332.295 333.1083@3.4875 2920 3006 333.1083 333.1424@1.35 7574 333.1424 333.1926@1.246 2441 333.1926 333.2091@0.872375 4371 5324 5520 3154 3032 2924 5426 4773 333.2091 333.2093@3.851 6418 4125 333.2093 333.2351@1.1719999 9177 2622 333.2351 333.2452@1.1568333 75459 65002 3379 8124 18966 8458 333.2452 333.2616@1.1259998 1848 2999 3089 3533 3283 2493 2610 2011 2040 2913 3458 3576 3738 3645 4340 3982 2844 2519 2496 333.2616 333.2712@1.1210909 3122 4439 2498 2271 3922 2921 3977 3586 2553 3580 333.2712 333.2763@1.115 1895 1807 3715 4232 3081 5815 3409 3787 5405 4647 3501 5240 6474 6889 333.2763 333.2807@1.1079999 4931 4481 3956 4989 4397 2175 7507 3235 4101 7242 333.2807 333.2935@1.135 5622 333.2935 333.3002@1.2023333 2893 3750 2704 333.3002 333.3247@0.817 2623 333.3247 334.0005@2.705 4808 4545 2708 3702 334.0005 334.0503@1.7459999 4106 3919 4334 4187 334.0503 334.1062@5.8933334 18475 18238 2679 334.1062 334.1184@1.531 6411 334.1184 334.1473@2.0375 4606 6421 3410 5146 4849 3170 3348 3309 334.1473 334.1776@1.0574999 4045 4113 334.1776 334.2177@1.1643181 5878 9549 8958 8900 11253 8762 3521 4262 7563 3108 11738 1592 4278 3745 5850 4968 3895 5823 5529 3974 4723 334.2177 334.2187@4.9634757 4120 4247 8715 3141 2859 4111 3300 4448 4775 2195 2535 2634 2221 2499 3810 4656 3633 3870 1996 3245 2984 334.2187 C17 H34 O4 S 14863 7047 5833 5539 11791 8287 8910 5144 6114 7414 11400 7612 21535 15326 4581 4161 9266 3428 5742 6854 13303 3872 4258 11904 14347 11767 8736 8431 9615 11389 5212 3860 10796 8479 6424 8658 4623 4242 6208 4754 5447 3817 1776 6678 7273 5131 334.2202 334.224@1.14275 4339 3582 3997 5147 334.224 C19 H30 N2 O3 7075 3108 4110 10627 4975 3476 3485 4442 2054 2209 6380 5421 4638 4815 4513 5248 5778 6025 9403 6532 3608 3452 4055 5277 4220 8376 3720 3718 7056 5727 3970 4151 3676 11930 7067 2690 4338 334.2261 334.2363@1.13825 10262 4617 4873 7289 334.2363 334.2748@1.1285 5732 5906 334.2748 334.2809@1.12825 3464 6200 2796 3145 334.2809 335.0171@0.8055556 5212 5072 2152 1849 2273 3264 2590 2359 2655 335.0171 335.04@1.066 7386 7737 335.04 335.0583@2.8063333 222331 223904 248156 245474 188126 183926 335.0583 335.0636@1.2075 2309 1868 335.0636 335.1151@1.1583749 6862 7149 5103 4904 4152 5270 31879 31271 335.1151 335.1259@2.0366666 12653 4818 21179 335.1259 335.1758@2.687 7627 5851 335.1758 335.1773@1.402 26101 23275 335.1773 335.1777@1.1915 92005 90682 335.1777 335.1786@8.568 4459 335.1786 335.1803@7.471 1587085 1593239 335.1803 335.2111@6.002 3850 335.2111 335.2118@6.0191107 12211 12680 8685 3987 3383 1693 6400 5278 4684 335.2118 335.2149@1.1819999 5259 4446 5953 5756 335.2149 335.2331@1.1324617 11310 7138 51356 5815 4152 5826 6336 3341 3502 2980 4460 5542 3441 335.2331 335.2441@1.21325 4322 3254 30072 21272 335.2441 335.2523@1.075 1749 335.2523 335.3049@0.8853333 2993 3397 3300 335.3049 C22 H41 N O 33865 31662 74025 71103 17490 18563 35772 36361 44620 43493 26758 27996 30705 31336 21312 21160 26292 25472 23994 25607 14081 2514 11987 11628 17601 16244 12319 12790 18992 17347 32932 32715 16353 17802 48123 47580 23401 24408 42123 43026 21258 20982 13777 13568 16963 17715 21408 3306 19366 19446 20092 20329 16241 17362 27770 24727 23989 23330 21153 22225 29089 30232 24196 24567 27292 27822 36997 37669 27052 28046 27121 25573 21698 20434 50628 31747 50791 133679 134410 18019 17410 17336 18097 19254 30610 30157 92731 89906 134414 132319 335.3186 335.3212@1.1422501 14027 17547 241080 230167 335.3212 335.7668@7.468 2211 335.7668 335.8124@7.473 2829 335.8124 335.8831@7.469 4099 335.8831 335.9169@7.472 2228 335.9169 335.9871@7.475 2632 335.9871 336.0039@7.47 2041 336.0039 Cys Asn Thr 14068 14498 5061 5127 15627 14875 2775 2544 23926 23964 30754 32497 3561 3609 24520 24636 11563 11126 2225 1956 31163 30125 12750 13593 3171 2756 7908 7940 32738 32295 12411 11093 35525 39048 11876 12673 12162 12454 18623 21023 11591 10545 8428 8650 11937 11165 20727 19460 3285 3575 18532 19387 9225 9328 8380 8649 10173 11103 8436 8501 18604 19050 20212 20605 23641 23382 16329 16773 12282 8458 12995 12569 12399 16269 16245 15799 2000 2039 5719 5869 1870 1880 22744 21672 336.1083 C11 H16 N10 O S 55028 52423 3051 63153 94968 5907 65466 68819 131596 108589 94355 93783 75889 7039 98151 92759 127996 127052 49640 99012 92838 202533 205676 72812 70762 61600 61868 160556 141184 11721 94824 93805 103203 104856 60883 7707 14614 102841 109437 77462 96135 63616 79788 69522 55432 75292 10011 87632 119387 53787 55490 73963 73038 110988 109815 89123 87411 113890 124588 69916 74155 92402 97369 94238 87878 87910 36901 12315 336.1235 336.129@2.048 17879 10342 6510 336.129 336.1363@1.0388 2056 4365 4582 5474 5963 336.1363 336.1416@1.045 2618 336.1416 336.1538@1.0625 3227 2757 2806 5427 336.1538 336.1619@1.4512501 10362 5870 4581 9158 336.1619 336.1648@1.0729 2471 3062 4086 4877 5072 4608 1654 3165 1354 1548 336.1648 336.1702@6.547 2025 2086 336.1702 336.2072@2.6465 5408 4309 336.2072 336.215@1.2208 4213 4301 2650 6235 4245 336.215 336.2265@1.1816667 1955 5736 3255 336.2265 11-deoxy-PGE2 6070 5982 5837 6692 5963 3525 15337 3390 5367 13138 11263 3346 2678 6284 5992 8277 3025 6540 12463 5701 9697 6870 11446 3432 4182 5317 11208 3802 9430 8942 3324 3832 8286 6293 6325 6400 10384 7339 4023 4710 4145 4646 6388 3414 2293 10539 6862 9640 6754 7756 3233 4324 LMFA03010061 336.2284 C17 H36 O4 S 10219 4813 4470 13107 2354 3600 7871 8991 8528 6939 2288 14598 5784 10280 12062 6448 6735 10485 6181 2089 5302 6392 7030 4525 5066 2075 9961 4841 12582 8535 6678 13455 8392 5445 3911 4390 8806 7640 7511 3477 3905 4219 5156 6616 4487 7345 2722 6736 3488 5400 336.2343 336.2382@1.1073333 16946 3451 6448 4106 3872 6623 6228 6202 3599 336.2382 336.2522@0.995 3741 336.2522 336.2618@1.0489999 5110 2559 6423 336.2618 336.2658@1.034 1767 336.2658 336.3076@1.145 5440 3560 336.3076 336.3377@7.473 2588 336.3377 337.0473@3.51025 253069 253996 548385 552573 337.0473 337.0765@1.506 7139 28880 30143 3138 337.0765 337.0767@1.6415 35666 33889 23615 21944 337.0767 337.0767@1.5595 31186 46672 337.0767 337.1368@3.0040002 20284 18932 337.1368 337.1459@3.6436665 1584445 1575243 4119066 4182417 3260718 3209962 337.1459 337.1617@1.214 2558 2896 337.1617 337.2006@3.508 3126 3910 337.2006 337.2078@1.199 1653 337.2078 337.2148@1.20225 2992 3896 5449 3205 337.2148 337.2253@5.982 43102 337.2253 C20 H27 N5 21998 21911 11976 12726 13657 13653 22826 23929 15058 15329 9688 9658 14948 15731 9567 9355 13525 13468 26029 26673 20538 21146 12092 13086 23787 22000 14874 14407 14148 15214 16701 16463 13552 13295 7651 7586 15039 15069 34478 33722 12837 11976 9474 9272 28906 30453 13032 13210 10875 10317 21297 21403 13264 13295 18498 17947 16549 15956 16882 16909 13067 14188 19150 19418 19585 19030 10542 10702 14605 13573 14846 14999 10794 10584 20640 19938 37725 38411 15045 16498 28058 28379 28033 28222 27696 44049 3161 14436 14314 26954 27991 337.2273 337.2296@1.1542499 6708 3980 6067 10597 9499 7809 3800 2664 8923 3421 4545 3848 337.2296 337.2343@1.1029999 4856 4295 337.2343 337.2482@4.585 6206 5991 5745 337.2482 337.2648@1.199 1641 337.2648 337.2681@6.124 13203 337.2681 337.2787@1.1470001 2310 3232 3560 1974 337.2787 337.2809@1.187 2187 337.2809 337.3031@1.182 1735 337.3031 337.3281@1.146 2725 337.3281 337.3289@7.4685 7155 4211 337.3289 337.3314@1.1245999 4105 4014 3370 2754 2068 337.3314 C22 H43 N O 61148 62394 71242 68794 30553 25363 48623 49159 44126 41461 80498 75005 78752 76187 45736 48736 80088 79146 104559 100832 19370 19779 14431 14375 113609 109594 18721 18434 25475 23509 33153 35636 37501 38329 71042 64765 59282 57248 107851 101225 20464 25863 38158 35628 58322 57938 49593 50414 27364 24646 85069 79630 23700 21576 48645 47229 63429 66636 46957 44161 72141 67864 78595 77740 46771 50599 71853 71591 92798 82792 43390 41968 34069 35143 81832 85784 159785 104435 162822 140514 141574 50243 50259 49974 27238 26345 47540 44354 207919 208117 269735 270380 337.3366 337.8084@3.654 1927 337.8084 337.8275@3.644 3868 337.8275 337.8581@3.663 3179 337.8581 337.8659@3.633 5515 337.8659 337.9607@3.636 3489 337.9607 337.9944@3.661 2676 337.9944 338.064@2.7779999 3424 4370 338.064 338.0825@1.587 11798 338.0825 338.086@2.7201302 6607 4426 2385 8935 11244 30475 29839 19029 16030 7413 5353 5464 5149 4908 4022 2497 3840 15841 13080 8284 10368 4587 4858 338.086 338.0914@1.633 9385 8658 338.0914 338.1451@4.11225 11233 12080 7265 7254 338.1451 338.1728@1.438 17690 18025 338.1728 338.1896@1.144 3072 338.1896 338.1925@1.628 3572 338.1925 338.1956@1.145 4682 338.1956 338.2073@1.154 13023 6254 338.2073 338.2277@0.7408333 5560 5390 3356 3231 2595 3251 338.2277 338.2304@1.182 4236 338.2304 338.2412@1.1405556 9122 7980 4029 3298 2738 4148 3765 9879 3608 338.2412 338.2435@1.1484615 6079 3019 10250 10599 2061 4743 2736 1740 3246 4230 9526 8314 6214 338.2435 C21 H30 N4 7457 2588 2798 4536 2970 5820 2728 6197 2413 3017 3234 5631 2956 6207 7019 5706 4672 2987 3866 4420 2586 3249 6811 5026 5174 3428 2288 2530 5434 3323 6918 7246 2625 2360 6577 2263 3540 4151 3383 2926 14670 5822 3306 4402 3796 4100 2184 6847 3198 1992 3065 2958 2140 338.2493 338.2555@1.143579 6901 3646 4240 3568 7943 7479 4711 3500 2825 4892 7573 5353 4126 4955 4684 3989 4238 3331 9712 338.2555 338.2647@1.1561667 3961 5556 6310 2745 2563 5831 6815 3344 2629 3034 2831 4929 338.2647 338.2674@1.1393334 8267 3468 2377 338.2674 338.2707@1.121 3381 338.2707 338.2765@1.096 3640 4603 3663 3639 338.2765 338.2882@1.114 2381 338.2882 338.2936@1.136 1763 338.2936 338.3007@3.6406667 12241 13323 9999 338.3007 338.3029@3.678 3578 338.3029 338.3241@1.101 5307 3110 3341 338.3241 338.3346@1.1413335 1732 1588 2011 338.3346 338.3671@3.633 7863 338.3671 338.371@3.64525 10408 2203 9918 3577 338.371 339.0361@1.7709999 12129 22421 339.0361 339.0424@3.577 8478 339.0424 339.0747@1.5976667 23553 22608 8688 339.0747 339.1702@6.8824997 4209 4003 339.1702 339.1915@1.553 4522 5159 339.1915 339.1968@1.0775 5430 6205 339.1968 339.1975@4.2784996 5567 4887 339.1975 339.2061@2.5375 4079 4647 339.2061 339.2132@1.083 6445 6085 2651 4723 4186 12355 12130 339.2132 339.2188@1.082 1791 3760 2041 3629 339.2188 339.2317@1.089125 7332 5883 7361 5402 2827 2145 2480 6299 339.2317 339.2366@1.0825 2479 3719 339.2366 339.243@5.966 2481 339.243 C20 H29 N5 42057 29610 7980 16003 23360 14421 26246 13661 48291 13746 28015 8316 9220 24227 9446 17913 8094 10782 16908 16865 22603 7232 47228 44160 22772 23272 19048 6191 16621 8115 14106 14371 10652 35483 12374 34272 33441 11589 42464 22807 11418 27124 10914 7952 10154 28688 44755 67823 22604 24193 25271 9457 10304 41637 41917 71221 73100 34895 33450 10962 35776 339.2433 C20 H29 N5 + 5.8975744 41507 28156 27940 19780 33795 17834 23295 10628 45767 43865 13379 49810 43268 44694 13699 27485 26696 22105 21919 22136 7802 30931 37344 18209 21464 14556 13083 51718 51688 11647 22722 30284 12472 20322 30498 43760 19454 24952 24640 12530 24919 28711 17545 18905 18895 16993 18603 45027 67990 43257 39194 22038 28001 24180 339.2435 339.2472@1.1573913 3215 4254 4826 22121 6048 17902 17870 2706 4060 4492 43207 43668 56552 28185 26652 5072 5419 13474 5196 23437 3258 3143 339.2472 339.2514@1.1316667 4707 2336 4047 1803 4766 3830 4454 3622 2051 339.2514 339.2661@1.194 1459 4856 339.2661 339.2671@1.1266 3483 4475 23291 1451 2096 339.2671 339.2695@1.194 7472 339.2695 339.2878@1.12 2448 339.2878 339.2944@1.116 2456 339.2944 339.3042@1.099 2057 339.3042 339.3878@3.83375 4171 4792 4640 2775 339.3878 340.0994@2.93725 43837 44577 9481 8240 340.0994 340.1002@1.445 4888 340.1002 340.1056@1.221 2214 340.1056 340.114@5.888 22945 23495 4379 4473 3510 3498 340.114 340.1614@4.31025 16349 16739 13154 12899 340.1614 340.1763@5.976263 20395 20972 17675 16240 2482796 2474778 396744 393631 36828 37117 3350 14661 9514 21629 20801 26445 28144 230083 234032 340.1763 340.1814@4.531 2654 340.1814 340.1859@1.433 5881 340.1859 340.2008@1.1573999 3514 3819 2467 2339 2766 2477 3914 4602 7772 3241 340.2008 340.209@1.1676666 2392 3932 3428 3225 6229 10641 340.209 340.212@1.083 11601 19443 340.212 340.2169@1.153 3128 340.2169 340.23@1.1605555 1946 4072 4470 1853 2225 2145 20497 2780 13718 8536 11098 2359 1671 7587 4803 28262 32690 340.23 340.233@2.002 3125 340.233 340.2333@1.158125 2224 1954 3768 15658 3104 9482 3086 4038 340.2333 340.2343@1.977 4994 4942 5868 5290 340.2343 340.2383@1.8695 6488 14410 12787 15015 8495 7175 340.2383 340.2384@2.9850001 4208 5312 340.2384 340.2385@1.1809 20062 22867 20196 18887 6586 18760 20164 3439 3270 3707 340.2385 340.2391@2.864 10108 10024 10860 13017 340.2391 340.246@5.884 4610 5661 4550 3407 5207 7763 1241 340.246 340.2473@5.869 2211 340.2473 340.2575@1.1383334 1770 6914 2730 6023 6534 2992 340.2575 340.2698@1.1915 2315 3759 340.2698 340.2821@1.202 2859 340.2821 340.2935@1.0735834 11555 12674 6485 6164 6335 6898 13028 9942 11646 11937 9101 2280 12093 11767 15434 16452 12435 21422 10154 19580 9895 10609 19328 13479 340.2935 20-oxo-heneicosanoic acid 19002 18751 15573 14799 23648 26103 13661 14558 18127 18007 17385 17573 10909 13237 18024 18506 25718 24703 9967 14952 15264 18667 18929 17493 18463 14880 13103 26902 26428 15837 16937 18132 16546 12812 11982 19397 19594 10991 11547 14098 14641 12950 21892 29440 30098 24275 23416 20112 19095 18114 16022 23701 22611 25728 26330 17008 16220 11519 17100 16313 16715 18296 19162 19017 18301 19010 44376 46121 12480 340.2976 340.3478@4.3710003 6068 6501 340.3478 341.0243@1.125 120885 124603 341.0243 341.0245@0.87950003 19503 20298 341.0245 341.0954@0.7635 15468 15082 341.0954 341.105@1.3415 33543 72761 341.105 341.1055@1.207 35021 37046 341.1055 341.1061@1.409 11796 341.1061 341.1179@2.078 6680 4771 341.1179 341.1694@6.024833 4618 4548 3993 4133 3480 3059 341.1694 341.1765@1.6205001 16737 12095 20373 22294 341.1765 341.1838@1.6446667 3487 7525 6430 341.1838 341.1954@1.061 2053 2475 2597 341.1954 341.2086@6.5625 13831 14196 4204 4505 341.2086 341.223@2.575 3925 341.223 341.2572@5.742263 3551 4317 3880 4940 12859 80151 78661 41748 2616 149469 144738 172023 173069 209019 205388 269426 265861 100232 99910 341.2572 C20 H31 N5 151665 152941 133564 134608 120955 120159 125810 125132 89318 90190 229392 234925 220768 216312 43803 44784 165233 161131 333626 331438 55826 56326 122850 120992 120972 108572 64015 63071 60662 59758 159669 156893 134382 132890 71753 69937 150396 147863 57999 58791 89256 87897 198444 200052 109966 109455 44449 191170 187521 120288 119292 118022 116209 131716 133525 209249 209665 103536 103163 63517 63398 77110 75660 113213 114383 127818 125411 146718 150948 65680 67693 161360 158641 288468 281145 284231 135054 131775 146146 341.2592 341.263@1.094 3609 341.263 341.2715@6.0925 2434 2356 2485 2587 2521 2592 1814 2583 3849 3852 341.2715 341.2823@1.068 2462 341.2823 341.2844@1.1715455 163455 2124 2803 2008 3121 2505 2624 2406 3161 5567 6599 341.2844 C13 H Cl3 O S2 2256 2348 2167 2654 1976 2581 2220 2077 1818 1876 1597 2090 1920 1996 2245 1719 2971 1640 1562 2279 1868 2348 2576 2128 2009 2479 2446 2920 2108 2336 2456 2517 2291 2305 1765 2427 1557 1753 1878 2092 2196 2544 341.8545 342.0298@1.2111334 8304 8040 8616 8736 10042 8985 9420 9725 10434 6317 3917 3418 7913 8735 4119 342.0298 342.1116@1.343 9959 342.1116 342.1287@1.0803332 2463 2590 3153 2045 2150 342.1287 342.1386@1.0825 2110 2251 342.1386 342.1476@1.0362499 8705 8716 33814 35101 342.1476 C12 H27 Cl N4 O3 S 3741 3485 7782 6809 29225 29620 5895 6747 8179 8139 4191 2708 5783 6128 5059 3924 5044 6135 2053 7213 6791 3890 4702 14707 16187 5409 5651 4098 4656 3336 3340 6016 6917 4616 3602 5034 5104 5397 342.1507 342.1643@1.033 3426 2616 2843 3690 2576 3059 2742 342.1643 342.1814@1.137 3849 5202 4479 3723 342.1814 342.1881@1.1395 3962 2263 342.1881 342.2101@1.201 2131 342.2101 342.2175@1.034 3686 342.2175 342.2182@1.0699999 4166 4712 342.2182 342.2254@1.1579286 3643 3557 2872 2782 4197 3714 2998 2218 3346 5703 4915 2373 3462 2985 342.2254 342.229@1.1297 4033 3070 5650 2982 5844 3804 2462 6314 3198 2113 342.229 342.2292@1.188 2844 342.2292 342.2376@1.1486875 2487 2412 14929 9610 3026 5011 3716 3322 2087 2141 3027 2954 3913 7502 3532 3071 342.2376 342.2483@1.1676251 3424 1790 2013 2157 2208 6258 5954 3590 342.2483 342.2508@1.206 4222 2976 2085 342.2508 C18 H38 N4 S 3636 3203 3869 3528 4709 4782 4147 4241 4120 3645 6811 7477 5295 5257 2410 2787 3204 3448 6594 6646 3373 3273 2038 4359 3947 3169 3099 4604 4300 3599 4035 4247 4199 4266 4330 3960 4489 4242 4351 3561 3539 4809 4861 5671 5283 5860 5803 3591 3322 3197 2884 3537 3218 4357 4113 5295 4085 5819 5773 5020 5437 4381 3691 4669 5146 4547 4449 6526 6701 6074 5767 3421 3765 4307 4419 6067 5739 5164 4581 5108 3642 3696 6435 6683 8799 8948 3321 3616 342.2825 342.2903@5.2839 4902 11380 2969 11421 10937 6655 11826 8725 6777 7774 6628 7962 8459 7414 7896 11954 2810 9082 8272 7692 8318 8650 5075 6791 8580 11553 7094 7485 8383 5768 6895 9276 9098 10146 6849 11164 8141 10337 5748 4017 7008 7481 4619 5580 4935 17842 8447 5303 6563 4572 8782 2905 12979 6952 8565 5807 7765 8812 18238 7323 5998 5838 13137 9788 6065 5435 7161 6716 5228 11414 14751 8739 15213 6691 14546 7619 8672 425019 6373 14114 12047 8812 16893 8517 16065 10199 4363 8591 8353 8016 342.2903 342.2906@5.2810006 6691 5934 5310 5100 6799 4793 5985 6181 7023 9023 6586 5061 6019 3875 2898 5008 2881 7163 7747 7970 6967 1726 2093 5869 422880 3918 14236 17810 342.2906 C24 H38 O 8021 9035 3389 7944 9749 9580 10510 10754 8196 2669 6979 7633 8370 6534 7611 7284 2459 5804 6077 5967 10255 6797 7399 7203 5608 7069 8683 8340 8549 7117 6952 8479 8162 8672 8622 6545 6153 6231 6375 7873 7939 5962 5657 8819 9908 6712 6464 6873 5875 7076 6063 6604 6551 8088 7389 6778 7040 9382 8742 7185 7493 6756 7654 6531 7626 5981 5308 6694 6395 6900 8763 5791 6074 5571 6026 2780 8737 5480 4743 5080 6699 6096 342.2908 342.3018@4.031556 13266 13606 2569 2205 2666 2584 2837 17093 17668 342.3018 342.7814@6.0806427 2656 2594 2665 2295 1951 2475 2799 2107 1845 2133 2352 2638 3323 3388 342.7814 343.1026@1.344 15735 343.1026 343.1058@1.02 1691 343.1058 343.1119@2.486 26296 29455 343.1119 343.1306@5.1663337 3198 5329 4978 343.1306 343.132@2.775 3465 343.132 343.1324@2.7549999 10888 12150 2624 7331 8042 7366 8875 343.1324 343.2002@1.1 13255 343.2002 343.2093@1.1389999 11777 11538 343.2093 343.2124@6.557261 7029 8259 3496 6263 6582 4899 7730 8088 9197 9291 8847 9826 7242 5655 6290 7981 6870 6868 5517 5067 4567 7303 7091 343.2124 343.2192@1.1408949 10589 6828 6251 7912 6559 9202 8924 9506 9493 8360 7399 4660 6825 7903 11344 7098 9545 12228 14659 343.2192 343.2194@2.259 3957 3617 343.2194 343.2198@2.028 6854 11898 7220 343.2198 343.2213@2.100375 10048 12419 9065 13973 9452 6120 5998 6150 343.2213 343.2216@0.9443793 14231 9857 7129 9310 16342 8394 7856 7268 4631 14298 13278 9107 14495 7934 6169 11965 7652 7015 7515 11947 8166 9245 14122 11433 9735 13819 13051 7301 343.2216 343.2223@3.8224003 8746 2919 6532 7195 6076 343.2223 C15 H29 N5 O4 80022 66902 94552 94578 125302 109422 14880 14753 100388 94950 86275 82734 19776 23578 101043 102774 185293 182760 52690 52208 219532 215601 87127 104159 179457 176766 14342 144542 143018 139108 161170 160429 153403 62641 59169 226223 223278 94836 89737 56998 58530 66672 69516 80095 79050 137405 134861 236473 235751 77583 78968 217081 215597 63367 56240 140812 143091 129460 133530 106145 104941 41350 39494 47993 44828 61132 55080 57920 90199 90007 60982 54820 209268 201322 37014 33920 343.2224 343.2224@3.9085999 7838 5199 18808 3657 5693 343.2224 343.2224@3.198 17860 9111 343.2224 343.2225@1.2163333 12244 13723 7706 7673 9953 9082 8980 8006 5203 9597 5611 343.2225 343.2228@4.053 6751 2711 343.2228 343.2229@2.723 5034 343.2229 343.2233@3.525 2557 32490 343.2233 343.2555@5.68825 5197 4175 4803 4129 343.2555 343.2675@5.7176666 8367 4510 5725 2217 9933 11185 343.2675 C20 H33 N5 117168 94944 84029 82532 72463 82215 106414 108168 66166 67462 97127 83296 154914 158103 29359 31901 76565 90057 143533 142602 29817 43471 70390 67764 109502 134023 27899 27834 36406 45814 135940 134264 79819 66324 62560 60917 52331 52179 124037 124531 35792 34040 43980 53569 126740 161846 79706 75886 34992 27022 137629 109034 81642 69599 66222 65744 103611 86255 133286 109696 81999 64928 34923 38399 43552 52157 85811 88330 120110 121821 74679 89470 33785 34828 125444 124570 135018 161235 130468 117325 117539 143974 136622 137333 119785 121583 135157 135217 156555 126952 93803 74475 343.2748 343.302@3.857 2872 343.302 343.3021@1.204 4425 343.3021 343.3031@1.2039001 3858 5697 1926 3558 2412 3153 3231 4278 5274 5552 343.3031 343.376@3.1065001 18983 11186 343.376 343.3763@3.1829998 1788 7627 1732 343.3763 343.777@3.187 13882 6771 343.777 343.9116@3.171 13551 343.9116 343.9777@3.222 1087 343.9777 344.0206@3.176 12816 344.0206 344.0988@3.078 3324 344.0988 344.1012@1.078 84839 86941 344.1012 344.1026@1.125 2995 344.1026 344.1225@4.587 10336 11339 344.1225 344.1244@5.623 2768 344.1244 344.1259@1.5416666 25496 18855 77671 72945 11133 10150 4893 7477 5977 19562 2693 5905 4766 22663 6570 17735 5615 6327 16288 13643 15832 344.1259 344.1264@1.5695 5735 7434 344.1264 344.1285@1.4667143 11925 9142 12465 3818 8901 10639 6953 344.1285 344.1319@4.6897497 54208 53939 3553 4811 344.1319 344.1357@1.4755 3258 3461 344.1357 344.1385@1.224 13087 12251 344.1385 344.1443@1.4103333 4151 4647 4071 344.1443 344.1474@1.316 3318 5108 344.1474 344.158@1.3935001 3551 4541 344.158 344.1846@1.2126154 21850 22303 9919 10476 9103 7892 7536 16054 16325 8123 7922 10637 10908 344.1846 344.1927@1.2127272 2739 4017 3994 5963 5246 5490 4910 3967 4618 3839 4934 344.1927 344.2048@6.5734997 2701 2570 344.2048 344.2058@1.2121428 5840 3173 3260 4402 4399 4105 5591 344.2058 344.2111@1.618 6475 7451 344.2111 344.2148@1.0903333 10183 10974 3249 14342 5670 3141 344.2148 344.2233@1.1285455 5515 3580 2189 3866 1612 11933 5258 3200 2425 5742 7269 344.2233 344.2241@3.161 4005 344.2241 344.2254@3.10525 13143 11737 9530 15734 344.2254 344.2258@3.1792727 5091 3138 6446 2580 6746 5635 4128 5556 6821 4491 8392 344.2258 344.2313@1.677 7077 344.2313 344.2324@1.4505 35516 38112 8939 7817 344.2324 344.2335@1.1682501 2523 1818 2242 1980 344.2335 344.2514@1.1342499 3517 4662 6455 3910 344.2514 344.2535@1.127 5482 19518 344.2535 sn-1,2-Dioctanoylglycerol 16491 43771 56482 53743 57808 15423 76311 73045 47141 51617 40757 51923 42152 41784 101561 103757 47892 48628 57384 61041 41532 11779 52991 26072 45678 46748 35122 21321 48818 48334 32699 41048 46401 52168 7826 60854 53408 82844 17227 24675 47348 51104 48013 49805 44738 5654 68938 69433 5812 41622 60390 81418 53187 43409 52419 48789 55069 59525 64680 68993 80381 76630 52002 46759 52198 52336 59815 62795 55281 37935 38944 38374 67108 74949 41576 38908 20396 15045 63578 50825 11876 58221 81925 57598 55952 56324 60748 63689 103169 111670 49840 56434 344.2583 344.2589@1.0995455 44108 3789 52392 84156 9496 46727 38016 6673 4302 24826 39489 344.2589 344.2749@1.0716667 2056 2509 2459 344.2749 344.2846@1.0722001 2971 2719 4972 7665 14270 344.2846 344.2931@1.0715001 11046 8607 344.2931 344.8036@3.174 3016 344.8036 344.8427@3.204 1243 344.8427 344.8574@3.175 2976 344.8574 344.9601@3.088 2992 344.9601 345.0019@3.546 9665 10239 345.0019 C21 H3 N3 O3 2805 3128 3019 2788 2579 2431 2727 2634 2618 2726 2516 2620 2722 3194 2968 3480 3345 2555 2915 4403 4356 2755 3112 3644 3710 4256 4144 4044 4258 2203 2492 3681 3722 2997 2888 2852 2749 3011 3030 3408 3544 3743 3714 3209 3744 4688 4237 3993 4558 3628 3933 3452 3480 4306 4411 4025 4286 3231 3239 2567 2674 2990 3255 3297 3481 2831 2834 3488 3704 3776 3602 4103 4138 3980 3780 4251 3888 4162 4573 3313 3462 4386 4849 4135 4283 4295 4397 4244 4315 345.0196 345.0309@3.175 1859 345.0309 345.1167@1.4128947 63805 54449 10709 13594 12069 5228 3425348 3467399 25485 27841 32959 30411 431902 14981 14868 1134678 27029 27656 5412 345.1167 345.117@1.2833079 2859332 2821994 308361 305560 221560 226444 2348 2248 264341 257664 1120942 1117079 4598984 4784408 58113 56261 3790710 4890513 7041 7881 6346 4927 3900 17123 16324 345.117 345.117@1.5029233 390067 367407 24413 25745 19357 8507 528793 71505 23292 25690 93921 93229 902276 924728 7120 6202 859918 878807 10719 11033 29879 4089 1745 12837 23048 345.117 345.1172@1.5295 19658 386491 345.1172 345.1172@1.6015 125280 2236 345.1172 345.1265@1.1487999 1648 1429 1511 1873 1966 345.1265 345.1298@1.592 3647 345.1298 345.198@4.333 3282 345.198 345.2089@4.7920003 4321 3660 7639 7421 345.2089 345.2189@6.503619 6930 7891 3061 3170 2859 12401 13425 7263 6913 20603 15324 6508 6361 4257 3996 3655 2948 3548 3034 6033 5804 345.2189 345.2224@1.175 2144 345.2224 345.2314@1.161 3579 2006 345.2314 345.2477@1.1518334 3967 1862 1694 3760 2033 2775 345.2477 345.2541@6.4045 3259 3789 2809 2459 345.2541 345.2573@1.1168183 5721 6986 5656 16916 3211 16865 6878 6684 6601 7779 2415 345.2573 C12 H31 N11 O 9875 11334 5916 5940 5549 9510 6142 3084 15815 14803 9148 12901 3072 3246 5527 4758 21693 20311 10782 10270 3681 3744 2159 2343 12062 14020 5356 6162 2115 19883 18065 10673 8039 14761 15704 11044 14108 3688 2900 15120 20708 2741 3323 8222 5478 8419 5723 16074 16458 18341 17969 11771 12004 6273 7175 2574 2785 17143 17269 7291 7727 2135 2386 3349 3351 4678 4207 4820 6904 6070 7204 7185 7054 5060 4108 4720 4850 11290 2114 345.2693 345.2708@1.5362499 3913 5118 8522 5261 16971 19634 17073 20269 345.2708 345.2717@1.313 3564 3438 2567 2615 1939 345.2717 345.2739@0.906 5444 345.2739 345.2796@0.904 2816 345.2796 345.2886@2.1090002 3682 8132 345.2886 345.3041@3.8435001 14435 13516 345.3041 345.334@1.53675 5412 5756 7827 6746 345.334 345.383@3.083 1604 345.383 345.6827@1.292 6056 345.6827 345.7355@1.309 6265 345.7355 345.7718@1.3083333 4026 10876 2066 345.7718 345.795@1.297 11668 345.795 345.803@1.2820001 1751 11191 345.803 345.8538@1.298 7390 7119 345.8538 345.8583@3.112 2053 345.8583 345.8596@1.271 3237 345.8596 345.8926@3.114 3102 345.8926 345.8973@1.326 1367 345.8973 345.9354@1.293 9867 345.9354 345.9504@1.295 10384 345.9504 345.9884@1.296 5064 345.9884 346.0812@2.861 482054 314884 346.0812 346.0819@2.7975001 3522886 3648934 346.0819 346.0828@2.683 2.60E+07 2.66E+07 346.0828 346.0935@5.8032174 1732 1599 2776 2789 1578 1784 1377 1381 1549 2273 2100 1392 1676 1690 2013 1421 1075 1405 1252 1890 1780 1688 1486 346.0935 346.11@0.76075 20668 21908 7647 7897 346.11 346.1154@1.068 28943 25743 346.1154 346.1216@1.443 5830 346.1216 346.1356@8.129 2883 3279 346.1356 346.1855@1.277 5775 346.1855 346.2145@4.72475 8198 10217 14284 13307 346.2145 Ile Ser Lys 5144 6283 6728 6043 7357 6204 6254 6611 6667 6386 9719 9429 10679 9477 13872 13301 13729 14014 10239 10222 16320 16666 15521 17128 15357 15731 21444 21793 18683 20491 8431 8320 6231 6693 7624 8366 8536 6782 6695 6841 10388 10868 10534 11867 9456 10357 12752 12483 14700 13962 19756 19697 11563 12790 13251 13007 13130 14176 16286 16933 7627 7565 9166 9555 8793 8403 20042 21453 7546 7348 11985 12296 16137 16562 16179 18767 14381 11230 13856 12991 12678 16280 19306 18703 18779 21289 25768 29451 16461 16488 16135 17965 346.2206 346.2228@1.1551249 2169 2738 2750 8552 3013 4842 6888 5595 346.2228 346.2302@1.1094999 2558 6620 346.2302 346.2341@2.663 669958 346.2341 346.2346@2.7350001 721906 1108192 346.2346 346.2383@1.1525716 6333 3743 4753 5378 3433 2779 4362 2915 2586 6148 5356 4765 5473 3148 346.2383 346.2422@1.086 2596 346.2422 346.2431@1.1097 4872 3749 3596 5214 2845 3355 3074 4337 4943 346.2431 346.2564@1.0971429 4638 1794 4057 5189 4019 6369 3094 3700 2450 1925 2822 5506 6184 346.2564 346.2583@1.0819286 2126 2236 4933 4609 3030 4682 4120 2386 3870 3344 3764 4724 2152 2957 346.2583 346.273@1.2948 9770 17385 25563 24027 26968 346.273 346.2758@1.042 4993 346.2758 346.2867@1.106 2436 2003 346.2867 346.3108@0.866 93733 94527 346.3108 346.3421@1.2954285 8361 8014 9026 13863 15016 14021 13851 346.3421 346.3852@1.306 4296 346.3852 346.4136@2.6865 74799 66766 346.4136 346.7649@1.301 1694 346.7649 346.818@1.299 2765 346.818 346.8264@2.805 6187 346.8264 346.8269@1.2935 2896 3755 346.8269 346.8353@1.292 4062 346.8353 346.8608@2.7765 17561 4877 346.8608 346.9455@2.82 2820 346.9455 346.9882@1.281 1968 346.9882 347.0503@2.164 5392 7950 347.0503 347.0936@2.0575 4998 5033 2955 4702 10775 15848 347.0936 347.0962@0.778 12962 13022 347.0962 347.0963@1.205 3323 2857 1460 2523 2513 347.0963 347.131@1.09 2453 347.131 347.2288@1.2296667 2921 3096 2520 347.2288 347.2347@7.248 2618 347.2347 347.2367@1.231 2743 347.2367 347.2371@1.1911739 15135 12739 5872 4896 6753 5625 4281 5062 6602 7284 3292 3622 9657 6713 5683 9379 10989 7238 9177 17165 18738 26638 27491 347.2371 347.242@1.1840646 4658 5240 5864 4198 4199 3857 6695 5606 8918 10686 2561 6456 4660 4352 4055 3701 2841 2106 3828 3616 3444 6549 6319 6828 6898 5142 3153 3745 3103 3476 347.242 347.2485@1.1887274 6878 4367 4542 2720 4929 4241 4179 3724 3907 2545 2819 347.2485 347.2539@1.193 1929 7087 3038 347.2539 347.2622@1.19 4972 8574 9406 347.2622 347.269@1.2326666 2056 2998 3582 347.269 347.2756@1.0315 1654 1635 347.2756 347.2828@1.1752001 3048 3250 2165 2672 1317 347.2828 347.2833@1.0330666 2890 2306 1645 2487 4865 2340 2381 2014 2247 2789 2527 1951 1087 4795 1561 347.2833 347.2928@1.143 2225 347.2928 347.3037@1.1225 7607 9116 347.3037 347.3061@2.836 2299 347.3061 347.3406@0.819 4593 4489 347.3406 347.3728@1.275 1200 347.3728 347.4152@1.282 2206 347.4152 347.8024@2.68 17682 347.8024 347.8795@2.814 2020 347.8795 347.9444@2.749 5978 347.9444 C12 H16 N2 O6 S2 18254 21505 16331 17857 16642 19036 38682 34186 19993 18559 17731 18154 26433 21979 11248 16484 14125 13797 12555 9370 10411 11191 11793 12245 13000 11992 14473 14865 10052 9576 23959 24837 11786 10338 12344 9926 11307 8461 20413 20416 15571 14355 9052 6220 16328 15445 8891 9950 12338 12036 15213 14398 8079 9245 9989 10066 10102 12314 4329 27818 14076 15336 15095 14796 8647 8575 12751 12361 10026 10563 18700 17302 8895 8785 11607 10741 19949 20143 9034 8646 18098 17865 18367 14415 14058 23891 23604 15074 15698 23063 22620 348.0436 348.0459@1.6090001 8889 6064 7919 12165 12671 12434 8836 8810 348.0459 348.046@2.1682498 4943 3132 6729 22869 348.046 348.1471@0.913 6361 348.1471 348.1553@1.177 2343 348.1553 348.1622@1.1417693 9649 7678 13915 14906 6816 1960 7966 9052 8229 9160 6998 6240 348.1622 348.1706@1.9879999 2757 3421 1687 4515 348.1706 348.1717@1.1404482 4855 4331 6737 6984 6153 5808 3727 5219 7806 6800 4875 5340 7562 7357 6858 3622 3689 4630 5892 8243 9006 4433 4987 6252 8306 6386 3954 3342 4802 348.1717 348.1776@3.187 3391 348.1776 348.1836@1.1417083 4910 4883 4578 7049 5747 5897 4862 6283 5069 4355 8447 8597 3755 3412 3655 5898 7367 4125 4664 8537 3034 3613 5882 5515 348.1836 348.1863@1.183 5030 10799 348.1863 348.1937@1.1690001 6312 6817 10169 8014 5810 5112 8367 5764 3523 9118 9008 3485 348.1937 348.2032@1.172 12057 8890 1421 5157 348.2032 348.2053@1.193 3120 348.2053 348.2134@1.1815001 3524 3756 2703 3802 2691 2377 4317 3516 2157 2373 348.2134 348.2203@1.13 2375 348.2203 348.2294@1.1784 2122 1553 3763 2278 1900 348.2294 348.2431@2.6529999 3386 22183 348.2431 348.2612@1.028 2483 348.2612 348.2733@1.0447693 2204 3146 11291 1731 2338 6258 7583 2981 5880 3105 3930 7148 3105 2532 2720 4638 2968 3227 7240 4785 2371 4277 6551 8135 3467 348.2733 348.2798@1.0795 8834 10869 5336 2858 3587 2205 2978 8009 1891 4768 348.2798 348.2888@1.1064999 38730 2604 348.2888 348.295@1.136 2350 348.295 348.3022@1.048 8907 348.3022 348.307@2.668 24104 348.307 348.31@2.71 21680 6942 348.31 348.3677@2.727 5453 348.3677 348.3766@2.65 7848 348.3766 348.6936@2.677 12545 348.6936 348.895@2.671 6369 348.895 348.9254@2.725 2410 348.9254 348.9671@2.727 2718 348.9671 349.0569@2.025 457202 494544 349.0569 349.0604@2.0529997 67509 67866 1524026 349.0604 349.1559@6.277 2490 349.1559 349.1581@4.853 7740 7904 349.1581 349.1584@4.935 6417 6314 349.1584 349.1599@7.7375 2140723 2160248 349.1599 349.2183@1.12 21112 349.2183 349.2212@2.204 1898 349.2212 349.225@1.118 9179 8614 349.225 349.2281@5.871 13709 349.2281 349.2387@1.2075 6100 11491 6921 4524 349.2387 349.2643@2.662 3350 349.2643 349.2811@1.06 2551 349.2811 349.2987@1.1773479 4795 4781 2722 2090 2271 1984 6640 5611 6039 7168 4305 8308 5489 4572 2874 8172 8118 1608 5145 9052 8088 27601 28342 349.2987 349.3002@1.1686249 8020 4603 4938 5048 1909 5255 7816 2739 3733 5338 4756 4477 21713 20712 5700 3389 349.3002 349.3115@1.1040869 6501 10631 3908 5513 7005 5851 5496 7990 8253 5812 5950 6301 6044 9012 5602 4038 7621 12593 8468 10729 11411 7186 9532 349.3115 349.3142@2.78 4104 349.3142 349.3173@1.1103463 6825 6927 12315 35288 11745 12793 21885 18495 26848 27198 4954 5535 4481 19472 39419 38624 22322 21125 9356 9174 14952 8415 11192 11983 7077 18384 9234 12295 12539 49848 57508 17928 4854 3478 10665 8798 10670 8668 17491 20102 7237 8478 8977 9692 6504 12038 18772 19950 16408 16946 18500 349.3173 349.3189@0.8835 2118 5670 349.3189 349.4172@2.715 2823 349.4172 349.8615@2.681 3142 349.8615 349.8928@7.738 5426 349.8928 350.1109@2.013 1944 350.1109 Estrone sulfate 6793 2428 2581 3706 3917 3211 3779 3542 2308 2832 2688 4152 3498 2840 2545 2850 2841 5216 5737 3227 4781 4455 3903 2719 3318 3201 2679 3444 3175 2860 2885 2683 2065 3825 3443 2623 4483 HMDB01425 C02538 350.1183 350.1218@2.343 28168 350.1218 350.1224@2.02025 1741 2653 4309 3922 3453 2960 2517 2954 350.1224 350.1565@0.89875007 6826 7039 4314 4246 350.1565 350.177@1.103 2514 2836 2530 2468 350.177 350.1832@1.074 3763 350.1832 350.1966@1.073 2706 350.1966 350.2107@1.1604999 3508 11829 5141 5849 8639 16291 14732 2771 3398 21188 2013 17748 15218 16171 4315 11483 8618 23831 24669 19356 19884 12917 13765 350.2107 350.211@1.1075714 6939 12055 8422 2920 23434 1934 5814 350.211 C18 H30 N4 O S 11183 10270 8909 8914 12623 16509 13832 14924 9863 13655 14487 14470 9446 15693 17840 11772 9674 4278 12111 20545 18720 8873 9215 19976 17776 14858 12370 19436 5677 8188 7854 8135 12650 12854 16142 16794 15367 9382 8590 7866 24038 3046 20341 16949 16080 7321 4158 5914 5592 7640 7975 9307 9717 18405 2000 19639 18680 10903 12862 14548 16256 18023 21047 20153 4722 6355 18567 7950 8376 28543 30551 6436 7857 10402 3075 7512 8422 350.2114 350.2207@1.0783333 2852 2169 3737 350.2207 350.229@2.677 3667 350.229 350.2366@1.0922858 11193 2261 7601 4400 2514 7503 4405 350.2366 350.2423@1.0927896 3115 3021 11995 3984 3555 7154 4317 3548 7847 2332 2124 7897 2395 3818 2874 4381 3582 6197 2834 350.2423 350.2481@1.0835999 8224 2321 1880 3194 5450 350.2481 350.2587@1.05 2212 350.2587 350.2666@1.0946666 2530 6755 1788 350.2666 350.2766@6.0902004 2996 3183 1946 3698 4903 350.2766 350.2875@1.202 11756 350.2875 350.2902@1.1475 9168 2262 350.2902 350.3086@1.095 59894 350.3086 350.3176@7.742 4366 350.3176 350.3184@1.151 4550 350.3184 350.3666@2.681 2219 350.3666 350.38@7.737 2694 350.38 C12 H13 N7 S3 2731 2468 2130 2941 2565 2542 2708 2493 2264 2789 2479 2683 2431 3441 2991 3052 2692 3569 3225 3844 3682 2000 2243 2595 2524 2336 2599 2798 2488 2637 2624 3174 2773 2923 3042 2942 2893 3492 3386 3926 3540 3622 3580 2976 3127 2285 2857 2377 2587 2792 2972 2895 2562 2475 3476 3710 3046 3492 3114 2874 3186 2746 2898 3056 2581 2951 2988 4001 4179 2995 2946 351.0396 351.0672@0.73324996 1491 1643 3205 2066 2077 1859 1891 1699 351.0672 351.1526@1.201 1763 351.1526 351.1601@1.5795001 5049 5639 19385 19586 10154 10267 351.1601 351.1619@1.208 2390 9590 9389 3306 3104 351.1619 351.1708@2.0365 45194 28932 351.1708 351.1715@1.9254999 18917 16691 351.1715 351.1738@2.112 40823 62441 351.1738 351.2145@1.135 2186 4857 3826 2039 1766 351.2145 351.2291@1.099 1427 351.2291 351.2326@1.1364 10998 13328 3665 18250 4490 351.2326 351.2374@1.1699165 8700 11369 15198 1896 3737 2797 6005 3488 3112 6516 9638 6152 351.2374 351.2447@1.1366667 6035 3871 3896 351.2447 C15 H37 N5 O4 2279 3875 4003 3576 3450 2906 2635 7078 6697 4089 4458 5376 6001 2574 2523 2952 2955 2897 2479 4127 3973 2923 3097 3199 3021 2042 3784 3452 4526 5037 5718 4905 3053 2185 2537 3330 3566 3939 3654 5212 5437 3283 4107 2983 3433 4346 4655 4089 4227 6444 5686 5108 5643 2800 3773 2889 4099 3523 4884 4559 4496 2896 7094 7106 8676 9045 2336 351.2867 351.2939@1.191 6108 351.2939 351.3005@1.1931666 2505 4761 5799 1835 1668 5219 351.3005 351.3059@1.1996249 4214 7540 2374 1712 4789 3100 2520 3156 4016 1793 1971 4467 5414 2721 1377 3371 4319 2944 2832 6713 4841 3415 2107 4751 351.3059 351.3122@1.1763102 4672 6529 8554 8496 11285 7918 8121 7848 5741 4990 8604 3626 1892 5155 6787 2224 23865 27879 7849 5375 6835 9734 14416 20114 22606 7145 8613 27102 22699 351.3122 351.3136@7.737 7874 351.3136 Anandamide (20:2, n-6) 25284 29907 59569 54647 17179 18366 14813 41664 42523 18639 11274 22866 26577 13505 13555 14025 10233 8556 27482 27954 11567 12871 39106 37159 23734 23024 53467 56436 18517 7699 8667 8976 9026 7519 13437 16856 18520 19056 7059 19766 11996 10073 22424 13483 21860 20602 20081 23333 15939 16210 30611 24554 17980 6470 17734 27664 21932 14234 206070 204716 47418 19465 36671 38359 40377 77133 74755 139724 179910 LMFA08040002 351.3154 351.3782@7.738 4863 4989 351.3782 351.7867@6.076 3106 3131 351.7867 352.0594@2.047 13040 352.0594 352.1166@0.73749995 3923 3905 352.1166 C11 H24 N6 O5 S 17460 17776 10952 11223 13388 13595 8469 9165 20381 19630 13344 14429 26309 27151 18737 19248 16655 26207 20148 19429 8128 7803 10143 9327 26245 25830 13068 12819 19883 19527 40357 40584 15101 14892 15921 15364 33274 33495 7667 7071 18500 21166 21664 12368 12514 2899 3158 22254 21416 19590 20353 16392 17034 14133 15066 15108 14637 27701 27977 11511 11686 15281 14695 11611 11191 22083 21993 19063 17605 23651 23642 15459 15234 18215 19371 19678 8710 9059 11946 11420 18169 18785 12820 12556 352.153 352.1734@0.9141072 6318 6185 3057 2886 3903 4231 2912 2763 7509 6255 5897 5246 3075 2620 2738 2874 4520 4323 3167 3307 3456 2761 5011 3599 1982 8593 9626 352.1734 352.1736@0.90225 4268 5452 5498 5328 352.1736 352.1821@3.7495 4915 4509 352.1821 352.2089@1.1935 21942 22859 352.2089 352.2283@1.17525 9114 3506 3312 6943 352.2283 C10 H29 Cl N12 38801 3639 6262 5266 15561 13279 7486 5223 3131 2312 3729 4643 20382 3373 6499 10559 7482 3122 2859 4434 20020 20750 13098 9194 5762 9465 7462 8569 3117 6248 8095 4756 7597 7216 12024 5161 3652 4867 6687 3778 4731 14216 12368 10359 11475 352.231 352.2367@1.1829333 9037 10222 3913 7061 2758 4986 12576 5980 4168 4545 4847 2907 6323 16118 352.2367 352.2386@4.67 3636 352.2386 352.2419@1.1876361 10280 8252 13084 12155 10048 2182 9736 10373 2484 3683 10684 4005 8344 9749 10241 9265 5625 6611 5385 5900 4440 9732 10113 11415 7689 5093 5471 4498 4643 14329 4908 3642 352.2419 352.2464@1.205 2995 352.2464 352.2611@1.0952857 56700 88535 89934 30554 51916 1431 16379 352.2611 352.2704@1.28675 3682 4580 5804 10988 352.2704 352.2717@1.277 9689 352.2717 352.2916@1.1266667 3837 8525 4045 352.2916 352.2972@1.14675 4093 4643 4646 6496 352.2972 352.3013@1.1396667 5010 2733 4752 3296 2927 7168 352.3013 352.3042@1.1246 4608 6624 2705 5898 3389 2943 6285 5724 9315 11603 352.3042 353.0324@2.977 4430 353.0324 353.0426@4.72 3250 353.0426 353.0502@1.312 9059 6707 353.0502 353.0518@1.1756667 137332 139039 1761 353.0518 C17 H23 N O S3 28889 29212 2929 15902 15355 7273 7011 10509 11749 6265 5175 7558 7571 15477 15696 3770 3835 10043 11177 29617 27722 4018 3330 11440 11223 17767 17364 14657 14219 8530 8897 11266 11352 25947 25232 18814 17561 7393 9576 20243 19862 2028 5070 3516 6581 6537 24611 30935 9456 9674 11000 12485 8934 9420 20209 20322 16722 16621 8038 7278 10913 11098 40073 41339 7981 9112 8794 9682 8020 8188 9760 9182 19227 10354 18172 40454 38154 41381 41985 41976 14713 14976 44828 45615 6930 6844 25339 26339 353.0953 353.0962@3.51875 7098 6347 6605 6990 353.0962 353.1373@2.8882499 7472 7187 9553 8310 353.1373 353.1479@2.03 62041 353.1479 C14 H27 N O7 S 76539 78224 57523 35359 37203 88761 4177 4411 3183 28814 51284 55208 32458 32693 44839 43452 25923 15440 20747 26499 10261 31859 29548 57014 13337 16727 13467 15601 67452 47188 21469 44274 45799 38292 37890 49769 50409 26259 54638 353.1496 353.1532@2.055 4199 33504 353.1532 353.1595@1.23675 10974 10236 8675 7174 353.1595 353.2452@1.151 8624 7217 4780 2810 2150 2009 9910 353.2452 353.2797@1.091423 2767 2632 1789 12167 12732 4949 5921 8482 9546 66799 67018 62817 60852 4519 9154 20039 18980 29734 31664 87871 87464 8530 15195 2271 7455 7030 353.2797 353.2803@1.093 9798 353.2803 353.289@1.165 1743 353.289 353.2955@1.1600001 2062 2129 353.2955 353.3059@1.116 3365 3048 2622 353.3059 353.3079@2.048 1934 353.3079 353.3117@1.1168572 3789 3550 3847 5702 3664 3600 3172 353.3117 353.3251@1.1199665 9052 8691 9369 5340 5484 4008 2811 6213 7088 4415 4695 3505 8971 3373 6318 8197 7877 7285 7111 6669 10207 9065 8141 4129 8537 6731 6591 8104 8565 2774 353.3251 353.3281@1.119579 8890 15377 15851 10124 9165 13118 11821 13865 14719 6691 9685 40769 38842 15694 15781 30470 30493 45917 42708 353.3281 353.3306@3.914 4512 353.3306 353.9939@3.691 4982 353.9939 354.0725@2.3783333 5302 2605 12762 8292 15693 16133 354.0725 354.0731@2.453 6532 10449 354.0731 354.0836@0.74 1651 354.0836 354.1139@2.839 2871 354.1139 354.1168@3.7922728 66511 70508 3668 41928 45646 14990 14667 68775 74690 72594 73211 354.1168 354.1174@0.735 6737 354.1174 354.1251@0.735 4794 3521 8176 6880 354.1251 354.1275@0.72300005 3679 2818 3949 354.1275 354.1553@6.8065004 64628 64373 354.1553 354.1843@4.001 4387 4455 10646 10696 354.1843 354.1962@3.915 16603 3867 15473 12529 11832 11546 354.1962 354.1962@4.2775 9722 9546 354.1962 354.2058@4.072875 8452 8795 7330 7088 16921 17374 14167 13842 354.2058 354.2103@0.8325 138183 140563 354.2103 354.2251@1.02275 18385 3624 4223 3818 354.2251 354.2349@1.0218 3977 4497 4774 3987 5730 354.2349 354.2509@1.467 6018 354.2509 354.2537@1.1978999 14121 4078 5830 1682 12070 7211 8298 4168 3981 3646 8765 2920 2924 3397 2902 2800 3052 2646 2759 2707 354.2537 354.2572@1.1947999 4786 4779 2827 4386 3048 3918 3115 4694 3423 4796 5357 5703 4770 3044 2470 354.2572 354.258@1.6351429 5318 33246 48297 5719 6626 23872 4692 354.258 354.2585@1.796 10508 4646 354.2585 354.2591@5.0915003 8340 7634 354.2591 354.2606@1.648 19845 354.2606 354.266@1.1724999 5582 7485 6974 3626 354.266 1-(9Z,12Z-octadecadienoyl)-rac-glycerol 46901 48447 55068 52842 55480 54915 57963 59651 56356 58714 65417 64898 34853 46245 66805 66502 65842 63315 77479 74760 31104 34748 52771 52903 75218 76166 42276 42513 51721 51791 56352 57445 48181 45118 76252 77412 39451 38197 95357 94260 39280 41397 60777 61156 60207 62990 77832 77421 34962 35999 79733 78826 68183 68871 41453 41063 52833 53815 72628 74012 98725 96233 49625 49255 64646 65732 72258 72009 70781 70284 54544 54932 42239 42783 36435 25662 63688 43017 63908 66140 67787 62551 64142 61577 49050 49893 70420 69237 130604 126052 56460 46380 354.2795 354.3046@1.15 2266 7320 8710 354.3046 354.3131@1.136 4795 354.3131 355.0362@0.8255 2694 2788 3976 4480 355.0362 355.0479@3.341 49469 51696 355.0479 355.0595@5.788 2022 355.0595 355.0928@1.0569999 5241 5101 355.0928 355.1222@1.1193334 6957 3037 5332 5827 3499 6901 6195 4515 4432 355.1222 355.1265@1.1043 3032 6120 4632 3465 4773 4277 2374 2883 6469 6220 355.1265 355.1307@1.117 4137 355.1307 355.1847@1.51 11607 10757 355.1847 355.2122@0.86 3473 1634 355.2122 355.2214@1.1774164 3207 3070 3130 2632 15282 15827 4597 4258 3017 3160 3856 4665 2750 2410 1987 8657 9704 2833 2695 6967 7441 5401 5096 2378 6738 7588 5625 5354 4093 2339 1907 4830 3120 6067 6837 355.2214 355.2315@1.1765 3517 3154 1814 1977 3454 1741 1659 3962 1740 1688 3938 2635 355.2315 355.2363@0.8275 10188 7395 355.2363 355.2381@1.1896667 5412 5793 2849 355.2381 355.2383@6.2658334 4453 5697 5414 5018 4622 5616 355.2383 355.2409@0.798 40029 40744 355.2409 355.2411@6.0389996 4598 5123 3900 4790 12528 6913 355.2411 355.246@1.1813334 6450 4836 1955 355.246 355.2639@1.204 2120 2243 1951 355.2639 355.2682@1.2035 1795 5528 355.2682 355.2741@5.7076 2230 6763 5183 5352 5004 355.2741 C21 H33 N5 + 5.7834067 7404 7772 23502 30497 15379 16248 19187 19744 13230 18351 16261 16444 46573 46650 8176 7601 9016 5903 11226 9700 15355 16788 34522 36751 12497 10680 3397 13611 14106 14098 19613 12878 11353 12093 10163 8737 2318 9072 8859 7794 8092 11676 12419 31611 32494 15316 15110 14161 14208 10969 11327 10506 12684 18108 2922 15215 13370 18859 18704 9085 9476 12287 12484 9521 9313 8400 10441 18801 13727 18165 16050 16612 17555 21211 20226 29390 14871 24983 14978 14224 19116 18519 18219 32079 29984 27010 26923 16062 14961 355.2745 C21 H33 N5 6315 6929 9090 9170 7469 8777 6434 4048 5171 4740 6853 2695 4705 5445 8440 5596 6734 3208 4620 5619 7456 9771 3970 8415 2413 3530 4705 4874 15322 5232 5294 5370 5455 3128 3852 5130 3511 6768 3155 7714 4439 3453 3117 2644 3444 2467 5848 4598 4548 5312 4427 5998 33618 29418 355.2749 355.2804@1.093 14651 355.2804 355.2847@6.036 2670 355.2847 355.3095@1.137 2348 355.3095 355.3219@1.134 2405 355.3219 355.3464@3.894 14499 15216 355.3464 356.0096@3.697 10941 356.0096 356.0706@0.777 3791 3231 356.0706 356.1115@1.6235 5892 5458 356.1115 356.1518@1.2844999 10497 8772 356.1518 356.1597@2.2055001 11254 6199 356.1597 356.1631@2.8025 16013 15226 356.1631 356.1816@1.206 3717 4143 2292 356.1816 356.2071@2.791 4085 356.2071 356.2106@0.959 3335 3277 356.2106 Estradiol valerate 2277 2193 2276 1819 4187 4878 8097 8306 4665 4477 2316 5007 4617 7141 7517 3362 3592 2341 3434 3669 3803 3205 4949 5222 2845 3394 5064 4881 2219 2405 2898 2545 C12859 LMST02010039 356.233 356.2333@1.4686667 4926 23372 8923 356.2333 356.2362@1.2475001 14949 19965 32486 7216 356.2362 356.2399@1.0323334 15170 5277 3408 356.2399 356.2472@1.026 3909 3710 4465 6977 356.2472 356.2576@1.021 1747 356.2576 356.2665@1.2876 4317 2959 2175 2237 4755 356.2665 356.2674@1.0171429 1963 11291 3516 7173 7408 7634 10497 356.2674 356.2715@2.04 6689 4980 356.2715 356.2735@0.9998801 2658 6218 4451 2860 12875 7205 6522 17694 18961 19296 19212 3868 3524 3739 6447 6686 3725 5687 2874 16145 14826 10673 3193 2400 2403 356.2735 356.2738@1.2526666 8807 76118 9274 19345 14933 11879 15209 15560 2214 4846 52194 4424 10680 5689 3356 9373 12836 5017 356.2738 4,8,12,15,19,21-tetracosahexaenoic acid 42051 39918 6959 22586 20979 20273 20803 19575 16635 74665 9209 22548 1949 11106 12677 3571 3737 218242 212303 190091 187064 6005 14741 17924 52947 52859 15765 17171 40568 41159 16152 17322 9147 10943 8352 4362 4938 1466 39061 37415 21924 19912 14356 18990 10319 4925 60946 66332 18842 19236 133322 128642 16064 13870 13207 6395 23999 13726 12932 13421 7534 10245 10327 11100 40710 37368 356.274 356.2741@5.343 2673 356.2741 356.2771@5.772 5606 356.2771 356.2812@4.009 4381 4823 356.2812 1-(11E-octadecenoyl)-rac-glycerol 24482 22936 27380 27371 36355 36527 31059 29455 27841 28123 35618 35380 15645 42975 41492 35667 34834 39368 41637 19730 20013 37267 36830 38028 28383 7357 15356 32250 32695 24764 24927 22876 22929 44942 44374 21881 62771 61105 19881 21867 32436 34282 35558 35282 49582 5741 19567 18156 47882 46768 28276 27803 24155 21551 36928 37296 47523 48734 59043 61412 19532 25774 41258 41370 46027 46713 42775 42841 24538 24761 23973 22054 21594 19533 52733 29745 44977 40118 42971 37974 39836 36143 33389 34704 41221 41263 73304 74596 37802 38109 356.2938 356.2939@1.12 45620 356.2939 357.0809@1.107 1724 357.0809 357.0909@0.761 5648 357.0909 357.112@2.337 3454 357.112 357.1265@0.75651854 9420 10115 3757 4425 7994 7840 7458 5999 4628 4079 7356 7064 4900 5317 12604 11877 2451 14875 15612 15440 6971 7086 8119 8001 3853 4016 357.1265 357.1274@4.079 3048 357.1274 Asn Pro Lys 5602 5553 6866 6979 6789 6528 6934 5960 5841 6764 6596 6767 4888 4660 7987 8099 7214 6711 10043 10739 6247 6123 7834 7574 7549 6769 6794 6253 15431 15961 6700 7077 6443 6614 5611 5442 8587 8959 6832 7050 5980 6316 7018 6962 8577 8698 10371 10166 11938 6109 6339 8511 7816 6043 5694 6872 7081 7037 5808 5887 6415 10050 7279 6197 6452 6127 7683 8139 8917 9039 11677 11640 7633 7444 357.203 357.2243@6.06 3002 357.2243 357.2258@1.162 7591 8167 357.2258 357.2291@0.827 3504 357.2291 357.2332@1.162 1888 357.2332 357.2334@3.129 4313 357.2334 357.2353@2.2047 2799 12982 8795 6212 10043 11507 10881 8929 9166 3140 357.2353 357.2356@0.9474091 7993 8203 3780 4563 2849 3261 3060 5117 5258 4646 4401 3511 4366 3062 6637 5898 3788 3850 3702 3744 4452 357.2356 357.236@2.10075 6469 4777 6883 3870 357.236 357.244@6.2335 3627 3274 357.244 357.2505@1.1884999 1706 3452 357.2505 C20 H39 N S2 3620 3531 4573 5150 6134 6676 7576 7416 6354 6523 10454 11313 6662 6953 3117 3446 3814 4446 18909 4586 24084 24512 4637 4547 8458 10610 8604 8655 3016 2595 2316 5078 12129 11924 4294 4386 11132 10473 2117 3716 4695 4610 5254 5333 4933 2777 5659 6469 2678 6577 1831 2235 4915 7163 4340 3653 3416 2900 2750 2368 3481 3369 5364 3792 23276 6457 6299 6071 3212 7707 7280 12096 11148 11835 11504 16656 16775 11564 4985 357.251 357.2519@6.3387856 4411 3724 4194 6461 6958 3757 2938 5906 4006 15105 6659 1237 2828 3872 357.2519 C20 H39 N S2 + 6.17811 5307 6173 5151 6035 10421 9886 8308 7476 4194 4361 3185 8306 8237 10332 9006 5432 4253 16728 17928 16052 6116 3569 6892 5491 4239 3904 3403 6962 6285 6821 5186 25524 6808 4370 5679 8854 357.2534 C20 H31 N5 O 12898 10998 12176 8458 7119 7405 7100 4950 5212 6222 5201 4248 16502 13622 4149 2796 13404 14577 5823 26131 4339 9064 9007 6765 6361 3533 4273 4002 3769 16488 16922 15240 15636 5344 7634 3642 8338 14662 10838 7122 4978 4832 4345 14749 19946 8084 9758 5035 15140 15642 9474 9053 11967 8736 8443 8977 15073 13985 7807 7473 4718 4696 6103 5730 9236 7746 12111 9952 11252 11226 5432 5027 15364 12635 20945 22960 10991 10337 14271 13144 11103 7178 7582 17327 18391 8733 10324 357.2539 357.2622@1.1346666 5038 3048 1455 357.2622 357.2677@1.206 1833 357.2677 357.278@1.078 3076 357.278 357.2868@5.528 3041 4323 357.2868 357.289@5.562864 2092 7374 20352 20692 5242 3212 11215 10265 33774 33627 6738 7144 15525 14234 6943 6241 1918 6471 4590 2800 5890 5481 357.289 357.2892@1.099 2112 7510 2378 2619 9642 357.2892 357.3619@3.8868215 8259 10789 5978 3370 5970 5346 17434 17977 3286 4518 6572 6562 4515 6171 5917 5903 4853 5866 6707 4628 5638 3341 5646 7151 6560 6897 65992 67648 357.3619 357.3627@5.98 3702 3141 2074 357.3627 357.8177@5.987 3320 357.8177 357.8252@5.985 3475 357.8252 C5 H4 Cl2 O6 S4 3604 3967 2947 3179 3081 3245 2750 2986 3026 2792 3105 3424 3314 3062 3827 3703 2961 3229 3355 3501 3314 3539 4008 3475 3597 3400 3035 2969 2722 2950 3531 4154 3305 3049 3398 3341 3466 3343 3039 2717 2809 3114 2903 3068 3233 2940 3087 3071 3131 3541 3716 2908 3100 3180 3470 3146 2849 3841 3486 3063 3523 3037 3331 3780 3797 3071 3243 3224 3303 2892 3157 3529 3260 3007 2591 3331 3501 3463 3128 3551 3399 3450 3601 3650 3705 3397 3277 3310 3470 3585 3833 357.8298 357.9278@5.984 4495 357.9278 357.9357@5.981 3627 357.9357 357.9697@6.0 1564 357.9697 358.0027@5.983 4366 358.0027 358.025@3.777 17164 358.025 358.025@3.866 21141 358.025 358.0251@4.076 5050 358.0251 358.0252@4.202 10726 358.0252 358.0254@3.662 1918 358.0254 358.0385@5.981 2927 358.0385 358.0682@5.979 3261 358.0682 QUERCETIN TETRAMETHYL (5,7,3',4') ETHER 6053 2400 2996 4143 5784 4921 4797 3690 3778 4742 3852 3493 4762 5553 3037 6430 5980 4137 6489 5649 3238 3124 3457 3071 3132 3018 3275 3651 3425 3530 3940 3082 2446 2331 3128 3140 2754 4759 3210 2614 5851 358.105 358.1075@2.337 14483 358.1075 358.1104@0.84379995 29218 29897 12424 14074 26891 358.1104 358.1366@3.039 2934 6739 358.1366 358.1379@4.4040003 38762 39546 358.1379 358.1425@1.285 15796 13587 358.1425 358.1426@1.4274 7253 6567 12653 9117 6764 358.1426 358.1474@4.062 4583 358.1474 358.203@1.1573334 5502 5312 2619 358.203 358.2071@1.1502501 4396 3742 2181 2654 358.2071 358.2142@1.1447144 1780 3515 2343 1800 1685 2656 2563 358.2142 358.218@1.0835557 66576 63030 8257 7627 3642 27043 28138 7421 6511 10559 10736 19415 17494 4912 4555 35738 33766 15309 15472 2638 16913 13167 25081 28382 23059 24820 36320 37013 16209 13888 2555 35803 39881 38205 4597 358.218 358.2304@1.15475 2981 2049 4268 7190 358.2304 358.2455@1.015 4958 358.2455 358.2489@1.3828334 63532 63336 11802 17130 4187 4506 358.2489 358.2494@1.627 16648 13093 358.2494 358.2514@1.021 5026 358.2514 358.2822@1.1675 1774 3113 358.2822 358.2941@1.1594999 4685 4465 4386 4098 358.2941 358.2945@0.901 8101 9707 358.2945 358.2991@1.1565 2387 5256 358.2991 358.3@2.0325 3147 7674 358.3 358.3034@0.9037273 7041 8765 6221 6016 5489 5777 3441 6378 6035 6485 5075 358.3034 358.3038@2.221 2832 4565 1726 358.3038 358.3074@2.0852501 10589 2518 5539 13309 358.3074 1-octadecanoyl-rac-glycerol 393230 400946 531540 497477 408467 393949 744796 739107 407913 390991 538544 540048 380817 401994 15513 378686 485154 462313 770780 754146 205553 208018 194767 191553 330561 328127 261184 248059 252727 257703 372479 381174 592759 584956 532078 514562 376780 351690 801378 804911 360597 353918 497166 506715 439498 442647 516979 509660 362767 325848 558043 552595 284568 282962 386515 385171 304910 301927 22441 608581 913397 928520 730733 738043 598540 579359 501643 492355 670293 661272 773118 780020 510925 530548 345851 324528 472378 753258 473168 528008 529410 584180 585889 561383 287257 282319 573428 562255 1442398 1411872 336687 333979 358.3112 358.3113@1.1184615 13250 9982 12047 12718 7495 10112 23628 10240 574843 29465 10455 6611 12805 358.3113 358.3659@5.986 4861 358.3659 359.029@3.5349998 17038 15691 33010 33317 359.029 359.0561@1.2102083 2375 2416 2045 9385 6133 5750 8042 2523 2318 3377 3286 9658 5627 3461 2210 2318 3200 3544 5862 6051 6835 5977 3893 359.0561 359.0612@1.543 4469 4939 359.0612 359.0701@3.959 8103 359.0701 359.076@1.2105001 12577 11467 3374 3120 9508 9237 5630 5789 359.076 359.0836@2.2595 416074 424990 359.0836 359.0914@1.216 4494 359.0914 359.094@4.7297654 3924 4163 4379 4754 8167 8792 7036 7542 11552 11393 3747 4196 5345 6068 5701 4728 4616 359.094 359.096@3.9115 12418 12054 359.096 359.0974@1.2166667 3872 8552 8839 359.0974 359.1191@2.131 205353 189873 359.1191 359.1795@1.0300001 1704 2141 2007 359.1795 359.2102@1.206 4930 359.2102 359.2208@1.203 2322 359.2208 359.227@1.1563333 6755 8279 2994 359.227 359.2514@1.031 1507 1202 359.2514 359.258@6.386 3079 359.258 C20 H33 N5 O 19009 19506 17025 17817 16251 19244 19243 20154 11988 11824 17026 15609 28361 28181 5600 4959 20635 19262 31444 31738 9060 9015 15996 15172 10671 15631 7955 8171 7908 7784 26067 26088 16894 16987 11200 10419 11347 10675 27946 26835 7919 7885 9297 8968 22567 31652 15763 15604 6904 6709 17314 16281 13588 13874 12509 11903 19607 19248 21628 21929 12655 13338 8134 8097 10104 9498 12035 12435 18500 16409 14490 14331 7722 7726 19610 19180 32218 32421 12648 13534 21994 20115 20008 19233 17885 17835 18094 18135 19036 15563 15473 359.2697 359.2704@6.364 2238 5156 9141 359.2704 359.2753@1.152 4983 359.2753 359.3553@3.469 6539 359.3553 359.3558@3.694 2840 4570 359.3558 359.3561@3.596 9254 9946 359.3561 359.3562@3.7455 5336 5115 359.3562 360.0937@2.8138332 3195 3057 5715 8784 5498 3977 360.0937 360.0948@1.2175 1561 2018 360.0948 360.1157@3.961 57593 360.1157 360.117@4.716 2358 360.117 360.1336@1.367 7904 360.1336 360.1342@1.3027999 1907 8833 13233 10951 11442 13288 8251 14656 12766 360.1342 360.1379@1.2435 2918 360.1379 360.1428@1.272 5306 360.1428 360.1779@1.6195788 18095 16974 19754 20302 7268 7481 13855 15790 5104 4984 10360 10955 6830 7119 13218 13750 12613 9290 9504 360.1779 360.1989@1.1666249 2948 4072 2756 3182 3232 3347 4896 2591 360.1989 360.2006@1.034 3230 360.2006 360.2051@1.1802107 3808 2933 4234 2878 3019 2197 3120 2498 2887 2862 2313 2547 2955 3207 2822 3044 3605 5895 6067 360.2051 360.2087@1.1779 5904 4008 2825 2435 3511 2028 2763 3270 4510 2488 360.2087 360.2182@1.1391999 4730 4312 4134 5222 5189 6057 3273 4513 3111 2972 3274 5368 2686 3027 5519 5010 1703 3725 4774 5187 4828 5412 2314 3467 360.2182 360.2267@1.1276429 11956 6158 3205 3193 3062 8305 2403 1856 4171 3375 5137 3455 2834 3811 360.2267 360.2323@1.1118666 12453 5854 3148 2131 9707 9907 2113 2511 2517 8398 6373 5165 5096 3813 3308 360.2323 360.2337@1.1294999 12357 8336 360.2337 360.2443@1.146 5970 360.2443 360.2593@1.13875 8218 8110 4225 3905 360.2593 360.2725@1.03 6060 360.2725 360.2933@1.073 4475 360.2933 360.3244@0.86 7063 6738 360.3244 C12 H11 N O8 S2 4362 4437 4691 5348 4995 5130 4194 4926 4875 5266 5298 5109 5446 4695 5688 5758 6240 5568 5507 4621 6904 7199 5127 4690 5608 5019 5967 6100 5404 6213 4393 4522 4358 5420 6144 6235 5051 4275 5600 5245 4843 5521 5656 5520 4973 5697 5144 5517 6770 6670 6188 6545 5080 5141 5412 5483 5905 6773 5932 6500 5413 4865 4439 5358 5537 6753 6094 6139 5189 5378 5468 4870 5531 6257 6275 5583 6555 5657 6261 6832 7362 6990 5513 6131 7587 7236 5191 5411 5853 5342 5909 5916 360.9932 361.0159@5.7941113 1663 1521 1850 1613 1548 1972 1800 1701 1951 361.0159 361.1102@1.1966 2614 2442 9793 190832 184790 361.1102 361.111@1.9354 12319 43389 17031 35674 94156 45640 13725 41791 105030 224483 361.111 361.111@2.8387141 35947 17951 13914 33644 14941 13348 24400 361.111 361.1111@1.523 2646 361.1111 361.1115@1.8973999 35862 9590 17822 41714 107064 361.1115 361.1116@1.311 6349 6572 11742 361.1116 361.1118@1.3582778 71997 81882 7973 8048 2612 3445 76124 79813 3841 5894 39988 38383 76222 67298 4676 6668 95953 96810 361.1118 361.1119@2.7623 25142 37746 10687 19513 25197 34917 8966 12018 74282 89590 361.1119 361.1121@1.6812085 195811 6323 155294 90242 22605 25387 17053 127650 68471 72876 4549 322230 357291 8058 3852 9463 18610 12897 7455 8917 9969 9288 2994 361.1121 361.1122@2.802 15561 361.1122 361.1123@1.7815264 9060 193708 39312 80617 6655 121389 11424 20486 24016 325668 61895 24374 355847 4160 780076 800805 8446 6871 9705 361.1123 361.1124@1.221091 5289571 595070 13268 12709 2867878 2828890 3957 1266000 71086 66304 101168 361.1124 361.113@1.1830741 5409851 256469 595580 2043 44878 44721 1328327 1347851 181191 224391 538328 541813 1265303 5043 1630852 1580309 1429567 1404819 1820898 1806826 380462 383091 536148 518216 500721 3000 361.113 361.1135@1.1155 3528 1252 1273 1649 361.1135 361.1213@2.119 7714 361.1213 361.1216@1.156 2580 361.1216 361.1226@0.8349091 4649 4646 6391 6680 4463 4529 4440 3025 4158 4333 4336 361.1226 361.2188@5.181 36251 361.2188 361.2188@2.09 12035 361.2188 361.2311@1.042 4977 361.2311 361.244@1.1874001 2265 2911 3703 4495 4858 361.244 361.2508@1.2005 1423 3121 361.2508 361.2699@1.164125 13312 11856 8005 10812 13549 13496 11804 361.2699 361.2718@1.7175 5281 9208 361.2718 361.2857@1.1060001 27640 27636 28250 5303 46524 18930 21604 361.2857 361.2952@1.0810001 3619 3023 3626 5177 7009 361.2952 361.3016@1.075 2343 361.3016 361.3122@1.0688001 5052 7555 7894 5372 9014 2705 5654 10172 5155 10323 2061 6192 6535 3234 5791 2915 2570 6147 7674 8800 4659 4983 4401 1969 4442 5921 8941 5396 1439 361.3122 361.3152@1.0719286 1713 6126 15348 10747 9235 8984 4060 16761 6329 15194 15481 8656 6155 10450 361.3152 361.3359@1.71 4394 4614 361.3359 361.776@1.166 4124 361.776 361.8258@1.185 3281 361.8258 361.8359@1.165 3322 361.8359 361.8797@1.166 2185 361.8797 361.9116@1.1675 15146 2057 3314 4210 361.9116 C10 H2 O13 S 64695 68104 71035 71624 73546 71556 75104 77607 72199 73487 67472 67682 71203 71401 70071 71172 71775 71481 71245 73616 70347 70653 73358 74162 77245 76712 75795 76359 79552 79889 66075 65648 70291 71082 79063 79830 75848 77375 80801 81766 70153 73246 65924 69612 72738 73968 71616 72490 77300 75150 77484 75305 71838 72236 73953 72729 73362 74760 75066 76454 73499 73273 72126 71689 83954 84845 71707 73062 68654 68109 74116 75108 77122 78537 73910 73530 74104 73771 74478 72981 72910 79438 78300 78486 76036 74830 78809 78637 80168 79942 72295 69764 361.9205 361.9336@1.168 12945 361.9336 361.9991@1.171 6449 361.9991 362.1137@1.95025 2515 4211 9936 4288 362.1137 362.1146@1.1045 7429 7731 362.1146 362.115@2.809333 12524 4376 10002 362.115 362.1153@2.726 6167 362.1153 362.1399@0.759 3452 362.1399 362.1579@5.9806666 5162 4217 2059 362.1579 362.2092@1.2144445 2484 24949 26480 29615 10523 11977 24672 2769 29622 362.2092 362.2099@2.0236666 5651 5851 77825 76413 11311 10183 362.2099 C19 H30 N4 O S 29072 30379 29275 29265 19591 20712 21514 19505 31896 29578 25003 24659 14682 16048 20684 36237 34929 23013 20681 23359 24311 25839 23732 22964 22169 20546 16914 10333 19319 18160 23441 16293 21783 22316 22508 24282 4554 27079 17957 17230 20607 22650 18330 19689 30840 29872 9906 8147 14608 23431 23922 21035 17760 13648 21565 20565 19825 20947 9754 12599 21648 31339 32055 19155 16624 19863 16422 24577 8976 28110 23121 24765 31970 34278 37981 10957 12020 362.2131 362.2162@2.809 13466 13112 362.2162 362.2169@1.249 2932 362.2169 362.2331@1.1465 6501 21036 362.2331 362.2465@1.1292857 2531 3236 7647 2721 2484 4912 2137 1991 3278 1881 1833 4859 2785 2694 362.2465 362.2494@1.1133333 4966 2313 3317 362.2494 362.2538@1.0652941 3167 3474 1788 2901 3959 6254 1957 2481 2417 2680 5168 7850 2216 1776 2827 3051 2542 362.2538 362.2667@1.1133333 3686 13345 18417 362.2667 362.274@1.1644 6315 17391 15071 2598 5241 362.274 362.2816@1.166 5996 5471 362.2816 362.2855@1.0745001 6984 4601 362.2855 362.3049@1.1316668 24222 80484 90723 362.3049 362.3061@0.929 248287 252755 362.3061 362.3161@5.98 8151 362.3161 362.3423@1.161 6467 362.3423 362.3798@5.982 3387 362.3798 362.3865@5.983 2942 362.3865 362.4255@1.189 1385 362.4255 362.4339@1.166 2385 362.4339 362.7686@1.165 1599 362.7686 362.8075@1.167 3292 362.8075 362.8609@1.172 1581 362.8609 363.0795@0.923 2487 1923 363.0795 363.137@0.7795 14973 15027 363.137 363.1381@3.1209998 10869 9677 363.1381 363.1735@4.856 13061 13218 363.1735 363.1741@6.2482004 2771 3508 3359 3518 2760 363.1741 363.1746@4.763 12114 12005 363.1746 363.1897@5.14475 3435 3815 6009 6964 363.1897 363.2144@1.219 4539 5570 363.2144 363.2218@6.6396 2557 9062 9438 3736 3639 363.2218 363.2265@1.3152857 4534 9013 10724 4218 3572 14448 12643 363.2265 363.2301@1.2506111 6574 5886 6592 7167 6829 7034 10021 4479 5192 4956 4342 4266 14818 11376 3758 5593 9166 13258 363.2301 C22 H29 N5 4457 3223 3372 3208 3422 2158 3483 2682 5635 6310 6528 5739 3554 4566 8137 8271 2244 2179 4204 5500 6862 7490 7023 5742 6272 5624 2064 2092 8654 9388 2132 1934 2116 2079 5976 5541 2440 3624 2364 3770 2446 3116 2592 3362 3496 6926 7546 7326 2301 2546 2966 4254 4101 3231 5216 4868 5076 6498 6541 363.2418 363.2506@1.204 4650 363.2506 363.2612@1.0320001 3540 3316 363.2612 363.275@1.1675 3282 3304 363.275 363.2882@1.168 3741 363.2882 363.3145@1.104 1771 363.3145 363.3223@1.114 1878 363.3223 363.3367@1.1156667 4026 16815 13703 363.3367 363.3469@1.082 2348 3254 363.3469 363.829@1.166 3109 363.829 364.0758@5.827 1301 364.0758 364.0946@1.16 3819 364.0946 364.1273@3.0128145 8169 8895 10012 9427 17771 17496 5410 5121 4077 4399 4469 9376 9536 15185 13869 12551 13690 10951 10119 12067 11955 4327 13108 12600 11789 9453 8895 364.1273 364.1515@5.546625 3004 1813 4746 4621 4602 5055 4639 1558 364.1515 364.1519@3.113 3332 6141 364.1519 364.1845@1.479 7629 364.1845 364.2057@1.272 3571 364.2057 364.2305@1.212 2555 364.2305 364.2379@1.1672 1913 4607 4354 3863 2845 4115 3642 3721 6702 3049 4329 1954 3955 4504 6572 364.2379 364.24@1.1584444 2528 2553 3491 3653 14401 2628 1186 2562 6006 364.24 364.2468@1.1642143 2612 4101 8067 6545 4131 4485 5136 4990 7088 8721 2246 4510 5818 5223 364.2468 364.2663@1.0889499 2082 3292 5956 5510 8134 18987 5744 1926 3278 6291 6042 4015 6807 4326 25143 6701 4987 5211 4734 364.2663 364.2699@5.255894 8761 4273 7168 1797 7217 4819 8750 4740 4396 5643 5130 6793 3769 9724 3171 8401 7453 12849 11632 364.2699 364.2722@5.1610003 3455 5924 3010 364.2722 364.2731@1.0817858 2673 3842 13341 3612 5458 15979 5000 3291 5332 3357 4577 6468 3214 3796 364.2731 364.2732@5.219406 4125 4675 4018 3840 4521 9297 3736 4942 6952 6200 3979 4494 5786 3221 4149 4065 8380 4359 1870 3307 2744 4163 5738 3978 5079 5321 4611 3405 4690 8993 3562 7303 364.2732 364.2803@1.074 4008 364.2803 364.2813@1.0653999 1793 6157 4508 2221 6201 364.2813 364.2895@6.0299997 4054 4764 364.2895 364.2928@1.0602857 5331 3514 2598 3032 6963 2012 2136 364.2928 364.2999@1.063 3963 364.2999 364.3023@1.0615 2377 1885 3171 3060 2584 3688 4808 4220 364.3023 C27 H40 5392 5334 2839 2901 3227 4044 3736 3903 3011 2405 4268 5185 5580 4979 4660 4745 7323 7488 4954 4349 4184 4387 3885 3785 3410 3334 4354 4402 4430 4555 2440 2807 4979 5691 6844 7609 4769 5505 5105 5183 4307 3821 5808 5965 5219 5141 5512 5662 3177 3224 4236 3410 4750 4932 4289 4551 364.315 365.0528@5.635 7871 8885 7070 7057 365.0528 365.0712@2.144 4199 365.0712 365.0991@3.546 19309 23533 365.0991 365.1625@1.1005 4159 3841 365.1625 365.1649@3.5619998 3617 3807 365.1649 365.1708@1.483 4832 4130 365.1708 365.1897@6.138 4519 4297 365.1897 365.2028@1.206 9477 11053 365.2028 365.2303@1.041 4294 10545 365.2303 365.2447@1.161 3211 5200 365.2447 365.255@1.16 3887 2246 2320 365.255 365.259@5.824809 23345 13370 16324 5105 17393 30291 28515 12573 17598 16093 23738 10118 10602 8584 15750 10917 12546 8161 32083 18813 17590 7399 30591 13185 20592 19976 16255 23584 14685 15310 15995 10460 1521 15469 7996 8212 32676 30939 41397 39738 24371 20656 365.259 365.2609@1.199 2300 365.2609 365.276@1.204 2212 365.276 365.2823@1.1671429 3483 3430 2632 1753 3396 4429 6166 365.2823 365.2839@1.1780668 2173 2848 7071 2990 2326 3559 4694 3902 2540 2439 5294 6804 4319 2486 3164 365.2839 365.2923@1.204 3377 3481 6749 15291 14901 365.2923 365.2933@1.1652082 5166 5624 4523 3830 5660 3804 3333 3306 3205 4838 5397 5051 3197 3565 4203 2489 2446 2432 6503 12121 6997 7236 19056 16564 365.2933 365.2953@1.1595 3904 11702 6350 6146 365.2953 365.3142@0.93299997 2638 1844 365.3142 365.3152@1.1715 37415 37000 365.3152 C14 H14 N4 O8 39510 41083 62969 57903 53780 32997 27798 26903 60174 25172 38578 36676 40718 43051 44041 29073 28351 53391 55581 39382 47525 46945 26580 26438 22698 22079 28339 24245 58229 25224 21327 55935 15523 38032 51694 52233 44897 43305 34604 24726 24490 20689 10182 26368 29531 28652 42334 21572 32762 20288 19757 51438 50640 42353 41581 22369 31851 39125 38528 17104 40616 61600 29564 30460 29793 366.0809 366.0868@1.624 3590 3513 3659 4369 3992 2678 4302 4294 5587 5580 3873 4202 3622 3491 3106 3406 3995 6141 5258 366.0868 366.1376@2.6826668 3288 2242 6979 366.1376 C17 H18 N8 S 30509 30857 29455 23397 22069 23549 16104 18849 23633 24722 19610 23993 18304 21256 18172 19242 26179 13959 16754 17506 7142 8172 8727 13035 12887 3759 14834 9338 9208 5034 36274 26902 22816 15635 16181 17724 17217 16243 16916 11972 20302 24026 17928 18346 16409 20557 21194 13680 13356 9108 12252 10059 7002 10637 13059 6449 10225 5947 22990 21534 19842 18670 13576 12813 16243 20556 28402 25269 11455 7531 4712 16002 16600 9555 11489 7023 7903 6243 10951 9235 8815 7826 9835 10244 366.1377 366.1387@2.7055151 5512 5635 2808 3393 10658 6967 6670 3009 4969 8060 3868 4919 2651 11496 7572 2220 10988 2911 5295 5102 11038 5666 3749 5790 5095 14323 5222 7520 4669 3759 4608 13031 6720 366.1387 366.146@1.437 5814 5242 2197 3335 3905 366.146 366.1547@0.9093334 3101 3022 2121 366.1547 366.1956@3.1322498 11350 11890 5650 4759 366.1956 366.1978@1.727 6880 366.1978 366.206@1.2705 26951 20434 366.206 366.2139@1.2046666 4721 3651 2350 366.2139 366.2225@1.1420001 2535 2614 3378 366.2225 366.2328@1.1140001 4351 2067 366.2328 366.2401@1.2036667 1628 2937 4080 366.2401 C19 H34 N4 O S 13222 14131 14110 18574 13035 11495 12347 12179 21598 14827 16160 19736 15777 19698 14482 28599 28455 12676 21397 14228 12861 14069 14722 29079 24222 8190 15599 22208 13670 13754 27468 28365 11172 11685 22926 3724 14508 20596 12404 12202 15948 19994 21251 18260 13923 13263 12034 11221 13163 13793 11301 11881 14069 14019 23469 14626 12610 12348 24262 2895 22679 16551 12487 15771 15414 14379 366.2452 366.2489@1.097 5554 366.2489 366.2493@1.1304445 9680 4484 6560 2930 9075 9841 11357 13166 4172 366.2493 366.2612@1.212 2793 2132 366.2612 366.2696@1.071 6456 366.2696 C11 H34 N12 S 6107 6816 7962 4088 6668 5638 6076 9218 5074 8850 8043 5124 4745 3342 3362 11368 8122 12035 10058 4541 3470 7130 7665 5019 9191 7449 7166 9118 5828 7122 8941 6488 7418 8087 4389 6003 5175 4536 4436 3199 5710 5564 6980 4653 7263 2748 5337 5385 4617 3755 3098 7176 8574 7921 14023 10276 10699 5548 6107 11429 8353 13837 7158 4075 4981 4699 3331 3285 3142 7940 5567 5993 3468 3880 3649 3460 11830 11459 16752 6546 3024 5683 366.2779 366.2817@1.1141999 3699 4189 3411 5584 3632 366.2817 366.2923@1.0545 2023 1475 366.2923 366.3316@0.93100005 7990 8754 4217 366.3316 366.3421@1.049 6703 4903 366.3421 366.3424@1.0514 1412 4856 2269 1313 1357 366.3424 C8 H19 Cl2 N5 O S3 3120 3492 3363 3217 3129 3388 3596 3729 3789 3522 4154 4559 4083 4498 4633 4666 4170 4146 4545 4323 3343 3550 5024 5288 4843 4617 4708 4881 5148 5202 3550 3594 3902 3751 4289 3907 4425 4363 3995 3693 4315 4218 3891 3775 4402 4083 4007 3906 4229 4437 4671 4239 4361 4574 5106 5629 4507 4831 4881 4205 4153 4707 3932 3921 4467 4793 4041 4193 3836 3606 4248 4733 4846 5016 4217 4406 4129 4367 4214 3509 3616 4813 3742 3725 3685 3717 4330 4079 4738 4814 3811 4125 367.0131 367.0262@0.813 15704 15630 367.0262 367.0587@0.774 8469 8701 20575 19486 367.0587 367.0677@1.0675 2836 2765 367.0677 367.0899@2.5549998 11515 12430 4912 8266 367.0899 367.0938@1.5375 7676 3788 367.0938 367.0939@2.6415 2265 3600 367.0939 367.1096@2.056 5076 367.1096 367.1103@2.0650003 4763 4722 5352 367.1103 367.1109@2.3295 5820 6180 367.1109 367.1114@0.80660003 6585 6540 4437 4697 3106 3374 3714 2714 3548 5063 5460 3857 3618 3365 2880 4526 4315 4003 3928 2861 2749 7912 8086 2598 5893 5809 4612 7562 4951 4796 7845 10738 4794 4487 367.1114 367.1267@0.79333335 7738 6048 5745 367.1267 367.1374@0.779 2789 367.1374 367.2411@1.039 10728 367.2411 367.2544@1.0800002 4330 3470 5886 8246 1894 367.2544 367.2613@1.0920715 2903 3670 2019 10387 10108 9538 6603 4263 7293 8849 6644 5313 3078 1873 367.2613 367.2697@1.094 5999 367.2697 367.2729@1.1049286 3328 1962 5445 3749 2445 8717 6194 6582 4804 2127 7718 5889 8089 4146 367.2729 367.2732@5.7987857 5377 3861 6679 5708 4402 4916 11486 4241 4401 5822 2769 6728 5608 5444 367.2732 C22 H33 N5 83252 84250 53211 53397 55496 54868 52403 53241 41307 40850 60522 62877 96184 96513 26992 25592 90373 87811 120431 122816 56154 52388 66281 70296 75307 72337 45820 43217 38358 36133 82773 84265 68871 67195 33360 33525 36625 27441 93598 86513 43463 45736 33411 33565 133942 129037 54181 54565 24489 23878 105989 101779 72439 80308 101334 104703 81426 72580 120274 117949 57194 57958 48187 52744 39501 41226 75476 76477 70007 67986 76811 77683 35837 35053 106950 107952 154208 145735 148236 79556 85391 94644 90568 84026 104996 96210 179235 172312 159069 152451 69279 70450 367.2748 367.2805@1.1095455 6113 5233 2541 4510 2377 11262 5640 6460 5636 5917 4000 367.2805 367.2922@1.108 4887 367.2922 367.2952@1.1489999 4929 4109 3153 1586 5197 7766 59059 57491 2203 2881 1661 9355 2454 4347 6781 2702 4210 1325 2375 2593 3573 4277 2517 4523 4807 6981 8550 5963 2097 5148 4550 2603 4850 5895 6755 367.2952 367.296@1.1592224 5723 7277 5600 2271 7056 6057 7487 2033 2101 367.296 367.3058@1.1623636 9838 3930 6176 6830 3588 6610 2155 2714 15734 14012 16173 367.3058 367.3063@1.113 14491 367.3063 367.3095@1.1636 9401 31984 32515 29322 28427 367.3095 367.4176@2.5856667 3560 3463 5926 367.4176 C25 H53 N 8945 9671 6604 6542 8815 8850 11988 12445 6100 7809 8633 6604 9839 7573 8125 8438 5316 7006 8983 8178 10241 10937 11362 11738 9986 7763 11644 9773 12222 8983 7334 7200 6447 7900 9909 7024 8838 7677 8133 9541 6449 7933 5006 10198 7758 10891 10634 11487 12210 9402 13233 6291 11084 9784 10332 9141 14661 11635 11007 6512 6968 7974 6697 8219 7117 5508 9563 9053 7888 6325 11284 12482 9854 11017 11075 8874 12663 14055 13737 11598 11914 12178 12430 8716 13100 10763 9431 12778 11260 367.4196 367.42@2.661927 5958 4397 3932 3601 4781 5187 6744 3815 6121 9938 8281 10871 6914 6524 7880 6686 2886 6503 6015 11263 3424 5138 4967 9672 4957 5253 6224 6782 3692 7121 9371 5051 3000 6995 6451 5530 7675 3907 5039 9844 6776 367.42 367.42@4.018559 4623 5007 4445 11393 5841 12780 14391 14172 9511 13319 16278 4094 3835 7687 4716 4355 13224 23929 8450 10942 15481 2968 6794 8888 2748 2740 15826 15112 5194 2781 7811 9069 4197 15779 367.42 367.42@3.9784164 2765 3459 3339 3892 1881 3901 8703 9703 2694 5264 15604 2698 367.42 367.4203@3.944 2547 6508 367.4203 367.4205@1.258 4885 367.4205 368.0414@3.646 24833 24202 368.0414 368.0625@2.7225 333671 299825 368.0625 368.114@2.80375 18672 27081 41098 19362 368.114 368.1364@0.792 2864 368.1364 368.1365@1.6285 12604 11318 368.1365 368.1635@1.5945001 19291 21640 368.1635 368.1677@0.9395 2509 2647 368.1677 368.1764@1.069 23680 368.1764 Val His Asn 11803 26746 24040 8104 6571 38131 40338 5107 6424 6525 7165 30823 26897 11391 11887 40345 39946 3277 29308 28561 26213 25963 3049 8872 8108 7330 11020 11500 10772 10342 10079 9513 28825 25128 26039 26419 25068 9247 2794 9035 2892 26466 21751 25825 9580 8492 26003 24808 368.1805 368.1838@2.1634998 32321 4064 368.1838 368.1944@1.0706364 3154 3442 2078 3731 4007 2467 3849 3502 3137 3334 368.1944 368.1977@1.074 2216 368.1977 368.212@3.6030002 9907 8091 368.212 368.2214@4.0545 3573 3525 5977 5951 368.2214 368.228@1.421 5943 368.228 368.2304@1.2706666 5313 2686 5574 368.2304 C21 H37 Cl N2 O 11331 11409 11715 11948 7247 13235 14103 4975 15315 4777 7412 7253 10447 10211 15435 15551 11917 12266 13223 8481 7422 18200 18652 5290 10695 9794 13087 12076 14928 15093 5847 12111 10604 4459 4371 7570 5971 12376 6740 14462 14988 15531 15920 6730 7695 10562 12105 13854 14067 5374 4201 6757 7294 14390 8242 14556 11704 12431 11949 12324 11208 12301 13094 13547 13671 14842 15317 368.2619 368.2654@1.1386364 6926 7277 10826 6867 4579 9901 5006 6416 5265 11620 3538 368.2654 368.2661@1.1619285 6881 6282 2117 4578 4316 3806 9605 4374 5609 5837 4987 5991 14245 7907 368.2661 368.2759@1.122 8675 368.2759 368.2823@1.129 2767 368.2823 368.2905@1.151 2513 8403 7760 368.2905 368.3233@1.0450001 2306 2830 368.3233 368.3321@1.0424727 2936 3759 3108 3047 2117 6060 6239 2583 2268 5123 2096 1875 2343 3742 4076 4128 2960 4155 3564 2408 5111 4716 2339 2154 5318 5245 3322 3249 2884 3561 5032 4539 3956 3687 2848 2910 3656 3589 4555 3247 2186 1944 1881 8249 7991 4883 2771 2858 2969 3316 2774 2928 8472 7668 368.3321 368.3385@1.0402501 2463 4934 5084 2893 2890 2157 7751 7950 368.3385 368.3452@0.81009096 2032 3047 4897 2186 2078 1707 2432 2349 2303 1941 2676 368.3452 3-Deoxyvitamin D3 2295 7612 7871 1151 2315 6139 6305 4909 4353 2344 1896 13150 11771 1740 2759 2715 2319 2569 11170 11611 6577 7175 2746 3114 4286 1978 3093 2733 11893 10937 2431 2922 12291 14492 23739 23078 1844 2662 2453 2579 2252 2418 7383 7813 2247 1948 2167 2135 2983 9687 4078 11702 11198 1476 4229 3339 LMST03020618 368.3463 368.3536@0.961 2944 368.3536 368.3796@4.3172503 19127 20117 76835 79134 368.3796 369.0653@2.74 40913 369.0653 369.084@1.1340001 1301417 1205385 369.084 369.1451@2.0447335 3665 7440 4641 3843 6697 4192 4288 3957 3760 6013 5769 10337 6285 4006 4209 369.1451 369.1525@1.35725 13926 14335 10742 10764 369.1525 369.1662@1.767 6006 369.1662 369.1818@2.184 7349 5276 369.1818 369.2396@1.173 2282 369.2396 369.2467@1.1693332 2417 3484 2135 2254 3156 2531 2620 2539 1839 369.2467 369.2543@1.1865 3267 4110 369.2543 369.2628@0.798 2913 369.2628 369.2826@1.102 5856 369.2826 369.2875@5.6045003 18074 14806 5127 5478 18974 14850 16730 10712 2249 13252 44515 74654 9716 8507 369.2875 369.2875@5.615556 9959 33974 7549 46018 7908 6860 13750 15409 54115 369.2875 C22 H35 N5 47231 39304 41099 50851 44203 42786 14880 32996 30733 30908 27011 83947 80714 79644 4666 11884 55917 54894 73775 119235 26897 28464 63498 63890 48411 45759 26227 16535 30291 29379 59398 65311 20202 49257 8841 12939 25045 23247 59566 48998 22750 23141 29728 29584 94314 98184 49148 49601 12548 9666 105553 77823 54002 55527 54048 43990 57440 59099 91821 94441 45299 46849 13011 9402 24039 25019 36996 46581 51514 51010 63605 61390 23234 22985 62311 60518 126014 109449 122676 74415 71010 62481 49206 27123 76912 75070 18012 23894 150610 149225 36022 43279 369.2894 369.2909@1.097106 5424 6114 6862 3988 6787 10811 7854 8661 7625 6378 6201 4629 3917 4000 5990 21170 18649 50772 50575 4026 4871 13211 7850 2503 11516 18682 22574 6460 4974 7317 7975 8758 6595 4732 4551 4709 6870 7515 14011 11474 5409 5324 15780 20555 14866 12675 2904 3804 5605 3409 40465 44575 3426 4529 5021 6679 18227 15215 4264 9312 7110 5102 6443 5258 6146 5418 6952 3845 4509 4166 4759 5160 5556 5846 5576 5509 6398 4983 6520 7828 16735 5675 3580 6578 369.2909 369.2929@1.132 4007 2021 3373 1784 369.2929 369.304@1.1625555 3135 1778 2718 4776 5253 2002 3016 1683 6573 369.304 369.3101@1.1605 4598 6880 369.3101 C23 H44 Cl N 6385 8911 13052 11339 2911 8614 10832 4918 4098 4468 5796 7304 3937 4831 10433 10953 6093 5833 10772 12022 4415 3257 7196 7455 8024 6133 9338 2812 6207 3257 2785 10302 6553 10844 7445 2785 7408 7626 17021 16539 50253 50763 369.3232 369.3242@2.788 2406 369.3242 369.3249@0.89457136 6542 6322 2742 4467 4758 3234 4688 369.3249 369.3253@1.1746666 27058 26566 4259 369.3253 C18 H14 N2 O S3 8373 6462 5555 7193 8111 6918 8407 5997 6160 6562 6687 5389 4845 7809 7571 8501 8291 5245 3870 5714 6101 5618 4687 7717 7863 7400 9301 8119 5563 6570 3889 3889 11039 5511 5037 11232 6865 6993 7100 7811 4875 5476 11696 11942 5543 6151 8344 8515 11483 6488 6833 11076 10403 5964 5992 5773 6164 6980 6722 3972 7918 8653 9099 9141 7390 7325 5738 7590 7921 11545 11160 9732 8654 6723 6437 6060 5387 370.0272 370.0693@2.666 3278 370.0693 370.0711@1.0257778 1984 8280 7076 4861 4759 3040 3221 11410 10866 370.0711 370.0974@1.007 3371 370.0974 370.1148@3.837 3170 3723 3926 4355 5118 370.1148 370.1267@1.4875 31195 30321 370.1267 370.1564@2.0553334 3311 5049 4762 3513 3863 3802 370.1564 370.1662@3.1715 6369 6812 370.1662 370.185@0.901 15990 16052 370.185 370.1931@4.325 4092 3865 370.1931 370.2188@1.0316 45045 47545 2856 3520 6734 370.2188 370.2194@3.533 4196 370.2194 370.2218@4.136 5490 370.2218 C17 H30 N4 O5 5372 8042 6057 6504 80508 82563 5546 99396 185322 12082 536359 538850 266269 265655 4936 10735 173750 172091 172220 1.39E+07 1.38E+07 369781 366825 2349897 2312213 8818 7864 153911 6873 268461 272851 238279 241001 89616 91971 78005 4397 133438 7491 247952 253597 197731 12570 7221 7195 407203 403567 153903 8135 97802 5744 1875325 1881884 6670 196973 4358 370.2226 370.2253@1.037 9169 370.2253 370.2318@1.039 7101 370.2318 370.2521@1.206 2732 1596 370.2521 370.2601@1.1887499 5704 26868 8820 14440 12392 1984 3906 15839 370.2601 370.2659@1.194 3492 370.2659 370.2742@1.163575 9045 8231 7721 4738 2532 8234 15144 11638 3567 13307 12007 13841 8389 11621 5713 11117 3448 9088 5928 7857 4908 10865 9848 11180 1721 7319 5438 14368 17102 8734 1746 8416 8217 8022 15973 11411 10923 2773 11560 370.2742 C11 H35 Cl N12 2376 10097 2079 6101 10498 10643 2161 11201 2234 9020 3405 4133 8916 10407 3201 4424 3768 8018 4794 4734 1581 5482 6833 7003 2228 6477 6768 2172 5676 7894 3722 12472 3389 3259 3741 3756 5499 6502 5604 17516 9379 5665 8750 7390 4886 7825 2638 3848 3679 2715 2426 10919 6691 9377 12054 5225 16045 1596 370.2781 370.2812@1.1678001 7335 6447 9743 3762 17343 370.2812 370.2931@5.5852003 3698 14129 7019 7315 4196 370.2931 370.294@5.6518 3311 8954 3271 3711 2823 370.294 370.3032@1.137 4461 3143 2065 1751 5751 4702 5160 370.3032 370.3063@1.141 4115 370.3063 370.3112@1.0105937 3897 3039 7781 7444 4353 4322 17360 21017 12877 13262 6125 7793 15906 15800 10396 11040 3909 3104 15947 15248 3593 4137 5979 8026 3415 6701 5547 4737 5743 2609 3352 2594 370.3112 370.3151@1.1624999 7596 7926 370.3151 370.3209@5.1697497 6223 9836 8049 9617 7707 9415 155707 156712 370.3209 370.3843@3.502 4916 370.3843 371.0366@2.023 17258 18034 371.0366 371.0615@5.6362 7544 7417 1320 3238 3529 371.0615 371.0623@5.8190002 3071 2939 371.0623 371.1067@0.781 4567 371.1067 371.1557@2.0324998 2751 4288 371.1557 Cys Ile His 5993 4667 4428 6682 6449 3879 4146 6320 5134 3782 3840 5931 5954 3554 3851 8125 8258 3616 6306 8327 3731 4270 4730 3844 5026 5197 4511 4303 4166 4008 4640 5674 5612 5001 4139 4938 3355 5815 5556 5544 5250 4742 4266 4152 4195 371.1604 371.1678@2.057 6684 371.1678 371.1818@6.8075 10605 11536 371.1818 371.2335@1.125 9035 3192 371.2335 371.2339@4.1000004 9802 8378 371.2339 371.2459@1.1667501 8199 5534 3890 4977 5411 10138 2322 3344 371.2459 371.2513@4.09875 8630 10504 11733 10548 371.2513 371.2547@3.115 8089 371.2547 371.2656@1.152 3474 3977 371.2656 371.271@1.1489091 4392 2618 8063 6337 10470 13003 3024 5059 4361 4609 3450 371.271 371.2781@1.159 3313 371.2781 371.2819@4.098 8724 9632 371.2819 371.2865@1.086 3204 371.2865 371.2892@4.07975 6659 6433 3239 3649 371.2892 371.299@1.076 2067 3356 371.299 C21 H41 N O4 13125 12148 11276 13249 11879 12799 16364 15256 8179 7652 16090 12967 20572 19872 5440 5027 13214 13237 27495 25890 7518 6940 13763 14811 12778 12329 6900 6179 8087 10965 15561 17449 9618 9295 10461 10134 5934 5314 14284 11098 7987 7172 11453 11724 25525 19595 16739 19056 9921 9219 14516 14962 13982 10838 8636 11670 17013 17194 19510 22731 12889 14155 8051 8290 6792 7565 11632 11673 12600 15291 11928 14693 6775 6287 16944 14402 20347 17342 27338 19403 19414 18568 15738 19374 12851 13233 26270 17855 29078 29329 15251 11969 371.3046 371.3203@1.1949091 2437 2143 1563 1705 2695 3170 2268 1641 1761 2158 2799 371.3203 371.329@1.1936667 2724 1733 3807 371.329 371.3328@1.1924667 3889 3313 2587 1552 1879 1934 8851 9277 3489 2240 2038 4888 4041 11420 14482 371.3328 371.3395@4.0903335 14753 15705 5390 371.3395 372.0408@1.1812667 9303 10535 10746 10681 10057 11553 8839 11953 12166 11886 11931 12579 8421 10505 6275 372.0408 372.1237@1.213 2533 372.1237 372.1539@4.2194996 70038 69353 372.1539 372.1811@1.216 2999 2422 1874 372.1811 372.1876@1.065 1781 372.1876 372.1957@1.0712382 3540 5513 6021 10896 3546 3129 2473 9554 8822 4098 7290 6352 8184 6784 5309 3391 4519 3439 7815 2582 2577 372.1957 372.2238@1.219 2256 372.2238 372.232@1.0401428 17348 15979 2548 4937 3956 2450 372.232 372.2361@1.04 3089 2247 6215 2219 2869 6401 4627 2800 372.2361 372.2468@1.1159999 6725 3339 372.2468 372.2597@1.1806667 2305 2474 2997 4331 10137 5593 372.2597 372.2654@1.1935 3049 2149 372.2654 372.2675@1.6320667 4576 8719 7428 76213 76727 7320 10721 5836 7685 10685 8679 55118 2309 6505 6468 372.2675 372.2699@5.0115714 14996 15993 3210 4850 4140 5176 5172 372.2699 C23 H36 N2 S 8116 5534 4331 4010 2336 9937 10002 17051 18244 1817 12520 3595 3892 7415 10424 11084 10458 11758 1433 2828 6294 4529 5434 2008 15381 12218 14478 7564 3562 3454 6878 20596 7930 27284 3517 6187 3234 5273 2923 2353 7373 7629 372.2702 372.271@1.53 6782 7761 6882 53860 372.271 372.2726@1.1595 4048 2736 372.2726 372.2795@1.1658 4680 37659 37020 2622 3432 372.2795 C22 H36 N4 O 77281 39482 131240 122522 110240 106215 128879 153568 106698 103292 151266 115735 47001 27146 165706 149684 150677 146143 174975 183572 52559 47736 107453 81767 83727 74261 47535 45853 88964 86425 85393 85931 105103 88800 190046 194558 90654 102852 225867 236586 57666 62459 129758 150800 90110 86048 194112 194921 54232 55824 183379 186773 90075 95643 61387 60491 98850 88619 165363 167619 226308 225672 88730 86463 129406 162547 170598 173962 132428 130850 80661 81315 94235 99564 50060 51534 162074 108195 20524 102245 167982 136505 144849 78661 74226 154731 168830 340090 341289 157378 110112 372.2907 372.2911@1.093 138353 372.2911 372.3286@1.186 1388 372.3286 373.047@0.8545 3703 373.047 373.1016@1.0675 15622 17371 373.1016 373.1025@1.138 14155 10346 373.1025 373.1132@1.2040668 5531 6030 9668 10482 10437 9235 12543 12252 3214 20087 6626 6445 8841 7631 373.1132 373.1156@1.202 2286 2143 2132 2047 1793 2810 373.1156 373.1165@0.829 10087 9730 373.1165 373.1187@0.8259333 10199 10147 6001 5230 7275 7001 9520 10372 2574 3775 4087 11441 14890 14879 373.1187 373.2556@6.2965 3347 3394 373.2556 373.2564@1.1869999 22000 3167 3018 373.2564 373.2631@4.294334 3672 2620 3496 373.2631 373.2633@1.139 2161 373.2633 373.2718@1.792 5147 373.2718 373.2796@1.1318 3111 2577 4729 1718 4001 373.2796 373.2882@1.1144001 4775 6542 3229 6284 8306 373.2882 373.2913@1.1259999 9940 5334 373.2913 373.3363@3.782 4785 4356 373.3363 C8 H Cl3 N2 O S4 2626 2368 1921 2280 2263 2069 2062 2040 2620 2473 2480 2746 2058 2013 2881 2555 1956 1884 1673 1696 1698 2124 1931 2189 2364 2562 2061 1774 2061 1849 1769 1995 1802 2387 2215 1763 1893 2071 2411 2378 1988 1854 2037 2175 2150 373.803 374.0488@3.651 7947 9197 374.0488 374.0752@2.987 41264 32889 374.0752 374.0753@3.12 7760 374.0753 374.1204@1.15 2871 374.1204 374.1443@1.2622501 12432 11037 11086 374.1443 374.1631@3.82975 6438 4429 7846 8078 374.1631 374.1706@2.09 11417 374.1706 374.1749@1.6563333 11145 4413 11611 374.1749 374.179@4.1064997 98828 98846 374.179 374.2141@1.1497083 4051 6033 2719 5725 2419 1778 3523 3490 2147 3485 2824 2470 1988 5218 1763 4406 3788 2423 3854 2889 2497 2298 3176 374.2141 374.2266@1.1992855 11050 14106 3256 1850 10874 2302 2366 2193 8361 11520 12682 11952 22574 28681 12913 7723 15454 11775 20796 15503 9299 8028 12705 13070 11290 8958 17468 374.2266 374.2308@1.2036667 8413 17844 15563 4514 2284 19464 374.2308 374.2379@1.203 2428 2176 8037 5243 10097 374.2379 374.2522@1.1715455 5276 3396 17376 9626 3821 6621 6179 4927 2264 2230 7975 374.2522 374.2571@7.334 5808 4796 374.2571 374.2574@1.20425 7381 2420 2655 4411 374.2574 374.2646@1.1836427 5110 7027 2149 3250 3514 4360 1891 1594 5817 5636 3764 3251 2819 2567 374.2646 374.2657@1.095 1998 374.2657 374.272@1.1004 6646 4958 5526 3544 2115 374.272 374.2755@1.1999999 2971 4175 4195 374.2755 374.2807@1.147294 5585 17167 17262 15499 14700 2406 4478 3103 3605 5200 3999 4510 5509 3531 9228 11845 1855 374.2807 374.2866@1.0845001 2501 6125 374.2866 374.2902@1.1044091 2208 2162 3070 3724 2320 3113 3914 4378 2744 9661 5778 2579 5136 4850 6142 9276 2761 3828 2757 5198 2117 1773 374.2902 374.299@1.14 3526 374.299 374.3401@0.856 11195 11699 374.3401 375.0915@1.1268336 78191 78112 2956 6179 7094 8761 8993 15972 16949 3805 23965 23434 11374 11690 4471 3989 5047 4888 375.0915 375.0923@5.2496667 2823 2537 2008 2430 3441 3438 375.0923 375.0951@1.1286668 2534 2430 4130 375.0951 375.137@0.8453044 6499 6271 10503 11116 6305 5865 4728 4348 21979 3660 3727 8350 8424 6305 6205 11936 12137 5581 5243 4060 7957 6155 375.137 375.1422@1.144 3221 375.1422 375.2348@1.212 2444 375.2348 375.2464@1.035 2728 375.2464 375.2921@1.138 4469 375.2921 375.2959@1.1434 4454 6965 2571 2271 3395 375.2959 375.3117@1.1463448 5879 4541 1607 6082 5406 5616 7251 4443 3371 4471 6135 6798 3993 5158 13378 11013 7189 4941 1859 7711 5264 6350 6207 4879 4557 4161 5267 21269 21860 375.3117 375.3139@1.147125 6627 7278 7307 2221 5889 30350 31615 20209 375.3139 375.3167@1.1399 8466 8344 4516 7451 11427 10064 11423 3249 20223 21945 375.3167 375.327@1.138 12543 375.327 375.3351@1.1177368 23873 13574 13877 134742 7649 11023 14229 9141 10784 8300 14555 15487 15521 18653 16245 12915 11909 13587 375.3351 375.3361@2.0985 5962 3806 6260 3395 2711 3051 375.3361 C14 O13 5212 5409 5950 6257 6030 5988 5937 6383 6276 6791 5747 5270 5831 6071 6524 6404 5693 6036 6703 6360 5527 5678 6149 6071 6616 6542 6517 6725 7072 7189 5172 4978 5856 6279 6883 6497 6592 6157 7160 6900 6123 6277 5493 5052 6148 6160 5947 5893 6618 6658 6610 6350 6096 6123 6567 6987 5892 5953 6615 6784 6315 6753 6505 6451 7847 7474 6154 6173 5618 5394 6184 6067 6793 6989 6000 5772 6331 6528 6500 6192 6259 7110 6688 6933 6492 6671 6519 6989 7282 6921 6455 5762 375.9364 376.0645@5.1718335 2159 2236 2079 1957 2471 2265 2063 2456 2264 2045 2559 1939 376.0645 376.1386@6.8085003 4750 3655 376.1386 376.1416@2.7938972 3967 6040 18676 18911 4658 23558 24844 21838 20596 11731 12679 26597 24613 8166 6057 8565 9629 9289 8335 8226 7209 4577 5129 7304 6582 5550 32308 41978 6341 376.1416 376.1932@1.0763333 3435 6000 4541 376.1932 376.2005@1.0766429 5437 5381 3087 2729 3884 5269 5859 6112 5302 3459 7233 6831 7396 376.2005 376.2022@3.3390002 94113 93102 40145 41920 376.2022 376.2106@1.157 2324 376.2106 376.22@1.181 6793 10981 376.22 376.2259@1.244 2075 376.2259 376.2266@4.046 202805 199836 376.2266 376.2325@1.0500001 2075 3278 3002 4842 376.2325 C19 H37 Cl N2 O S 5703 6007 5094 7094 8675 8371 10368 9105 6373 9364 3728 6581 3972 14280 19244 2270 3306 2358 5124 5979 9698 8636 9139 5279 3173 4670 4374 3188 4935 4673 7041 5790 4407 7180 4103 8275 3929 5236 7592 4431 6388 4872 4653 2791 5575 376.2344 376.2421@1.0597143 1853 2043 6103 5642 1979 3812 376.2421 376.2579@1.1448 2375 2199 9612 2435 3544 376.2579 376.2754@1.142 2230 2599 2156 2085 2879 3262 2585 2776 2133 2857 3845 2231 376.2754 376.2828@1.13575 1960 1950 2796 3147 376.2828 376.2907@1.1379 2498 2619 1764 2761 3598 2489 2303 2173 2324 4674 376.2907 376.2999@1.1407499 3788 3563 3129 9711 376.2999 376.3065@1.1448749 3520 2853 6345 5997 2838 2138 4338 5362 376.3065 376.313@1.149353 8016 12841 5944 6697 5838 6025 1905 2456 1427 18489 23378 3063 7320 3968 2867 7463 2816 376.313 376.3222@1.15225 508645 508135 117124 124828 376.3222 C16 H11 N O2 S4 4278 4946 4224 4340 4011 3832 3567 3615 3890 4878 4073 3840 4465 4507 5687 5523 5231 5791 4009 4276 6739 6121 3592 3698 4207 4080 4497 4544 4700 4453 5644 5026 3616 3643 6181 6303 4101 3972 4768 4210 3471 3423 4976 5042 3533 4199 3527 3487 4394 4220 4532 4091 3117 3290 3277 3383 4201 4828 5129 4551 5148 4831 3493 4240 4981 5634 5631 4494 4205 4151 3257 2972 4137 4584 4035 4460 4609 5073 3979 4521 6090 5712 4605 4724 6532 5999 3964 4053 3458 3433 3391 3557 376.9677 377.0984@1.9656667 8040 8756 8621 377.0984 377.106@3.2286665 4190 8721 8480 377.106 377.1064@1.908 2659 377.1064 377.1067@1.8345001 7529 7278 5556 6657 377.1067 377.1069@1.3430716 743171 750122 30324 31227 23049 23250 83924 86015 108571 111180 29302 29283 116014 118422 64088 65497 194969 187809 104316 107241 42833 44214 74801 75839 73896 83672 79891 377.1069 377.107@1.5746521 194744 172515 14719 15481 26356 25490 4492 19398 20045 16117 14953 30527 33351 22984 23060 7401 8834 10676 13311 9503 15376 14421 377.107 377.1074@1.45 3649 377.1074 377.1075@1.2069644 253123 238732 43105 42929 6125 6065 58181 59618 83289 81281 31108 31566 103913 104049 62434 62313 71477 69879 118047 119715 24457 25079 51427 52182 50624 22866 22771 377.1075 377.1152@0.73520005 2911 3138 1901 2415 2602 377.1152 377.1539@4.345 2873 2287 377.1539 377.1918@1.168 1898 1961 377.1918 377.2114@1.062 2983 2962 3675 3335 377.2114 377.2243@1.194 2361 377.2243 377.259@3.9935 4966 4857 377.259 377.2804@1.1535 2691 1979 377.2804 377.2912@1.1535001 2313 4220 377.2912 377.3388@1.347 5483 6923 377.3388 377.7768@5.282 3969 377.7768 C14 H9 Cl3 S3 1787 1916 1620 1934 1909 1945 1906 1894 1949 1778 1981 1924 1941 1830 1996 1911 1882 1480 1863 2061 1754 1863 1901 1749 1841 1763 1777 1805 1725 2050 1902 1843 1881 1991 1909 1986 1989 2082 2118 1797 1771 1710 1767 1875 1588 1637 1733 1665 2037 1938 1576 2033 1669 1897 1732 1800 1786 1926 1965 1788 2125 2370 2406 1949 1971 1749 1578 1647 1724 1857 1773 1782 1776 1899 1741 1933 1656 1981 2049 1924 1823 1844 1661 2005 1665 1736 377.894 378.0573@0.812 4492 4046 378.0573 378.0588@1.946 2442 2754 378.0588 378.0905@0.81649995 4873 4361 378.0905 378.1093@1.0825 6096 5178 378.1093 Mefloquine 1392 1742 1540 1790 1636 1699 1428 1619 1300 3224 3250 4093 3479 2418 2247 2786 3613 2341 1877 1440 1711 2299 1924 1720 1486 1591 1524 3816 3652 1207 2805 2796 3809 3832 3290 3086 2179 1830 1573 2214 2128 1579 1494 3252 3382 1989 1826 2467 2780 1715 1801 2022 2174 2273 2631 1698 1355 1742 2045 1887 2015 2179 2290 3021 2891 2278 2681 1905 C07633 378.1167 378.132@5.9812 26118 26806 3924 4310 2319 378.132 378.1525@2.052 3298 378.1525 378.1877@2.7895 8077 2945 378.1877 378.1895@3.107 17069 378.1895 378.19@2.7942498 25726 24780 5601 4727 5237 4953 10731 10764 19456 18332 4105 8143 378.19 378.2168@1.4686667 6985 9478 5386 378.2168 378.2172@1.24175 22596 6878 8653 21730 378.2172 378.2184@6.3525 18425 18946 11339 11506 378.2184 378.2207@3.819 3541 378.2207 378.2395@1.1815 3606 5285 378.2395 C12 H30 N10 O4 7211 10404 3148 8485 3658 5916 6019 17617 36109 13661 5540 6966 3887 4508 4875 13214 4633 12091 4853 19461 8404 6981 7767 8248 7580 9318 6408 10392 9234 4892 5600 11281 5436 7234 6761 5807 5399 6154 6812 7639 6675 5480 6723 6680 5784 10102 10071 5092 5599 378.2451 C12 H30 N10 O4 + 5.1986976 6521 7001 6250 9402 3748 9209 6967 8374 19230 6038 11375 12954 4314 6950 12425 3202 4908 2418 17453 17666 4194 7198 8599 18668 19295 8008 8045 11678 11223 5680 11137 13719 2294 6037 11377 18865 5011 7906 7156 9567 10856 17780 16771 6669 5306 7077 3944 4809 6778 6452 5762 11932 12827 378.2458 378.2462@5.2960997 5190 1911 5214 3078 4672 4954 4248 3894 4729 2485 378.2462 378.2468@1.1405 2566 5831 5626 3829 3075 2707 12077 11544 1721 7327 3103 3439 378.2468 378.2493@1.1141112 2756 3921 4802 7445 54717 33387 4079 3943 1802 5454 3926 2100 1421 3057 4394 4336 1436 3632 378.2493 378.2552@5.2945 4019 4388 378.2552 378.2552@1.1524999 2482 7234 378.2552 378.2692@1.137 3152 2477 1925 2805 378.2692 378.2725@1.102 3089 378.2725 C18 H38 N2 O6 4851 5934 8057 8109 11323 7666 8132 12333 5623 4263 6746 7383 9541 6478 7509 6543 8274 7603 7170 6531 5257 6824 5852 6283 5010 3862 5976 5516 7802 6196 5740 6572 12486 16314 6040 6404 5719 7200 8140 6789 6343 4855 5844 5821 4023 378.2833 378.2849@1.0825115 9253 9415 10723 6678 5796 6338 11715 7179 10388 6390 5343 7522 2326 5770 5663 6822 4372 4297 7171 6619 4166 4382 6702 10500 8573 7965 9520 8067 8792 7610 6052 9062 8196 7803 8546 8151 4869 8219 7760 7229 7875 2355 5434 378.2849 378.2933@0.84345454 4721 4321 5594 6068 12022 9811 3718 11127 10347 4529 4277 378.2933 378.3111@1.057 2217 378.3111 378.3413@1.044 1827 378.3413 378.7466@5.18721 2954 2884 6056 6135 11767 12518 2026 4996 3675 3040 6045 5783 6692 5771 2270 2742 3987 4242 3714 4306 4751 3863 4446 6872 6654 2770 2292 3129 3504 2394 3282 3043 5447 5893 3406 4008 4392 3472 378.7466 378.7485@5.2335 2708 2602 378.7485 379.0703@2.383 9280 8519 379.0703 379.0768@2.362 6972 379.0768 379.0847@2.38925 11649 4194 8891 12220 379.0847 379.0849@2.4064999 11026 3654 379.0849 379.0985@5.4934287 1323 1941 1785 1810 2249 1797 1732 379.0985 C19 H25 N O S3 10579 11207 3811 4132 2524 2978 2734 2653 2911 2948 19400 18595 4994 4850 4341 5591 9312 8685 6665 5425 4137 4648 11018 11287 3284 4414 3606 2270 5131 7630 2252 2206 2959 3325 13326 14451 2790 3143 2921 3586 3358 3483 4566 4898 5757 6907 2197 2849 3307 4389 9696 9887 3307 2736 1479 2095 5273 4935 4254 4413 16802 16295 8190 8443 7944 10062 11828 20382 17558 3547 5956 5482 379.1103 379.1461@2.0431905 3182 3569 3184 3807 7218 7649 4862 4801 5634 4999 6221 8193 4458 4162 3495 3757 5103 4826 4783 3667 379.1461 379.1878@1.319 20438 22114 379.1878 379.2026@6.544 42251 42978 379.2026 379.2158@1.265 4014 379.2158 379.2176@5.824 2437 1573 379.2176 379.2182@4.101917 451593 457258 459154 462974 420595 420672 851167 835342 372791 373230 467702 459044 379.2182 379.2324@1.137 2174 379.2324 379.2454@1.1427 6293 6962 2337 2146 1370 3757 2289 3897 4637 3472 379.2454 379.2538@1.1496 1669 5373 2279 7602 2371 379.2538 379.2597@1.137625 8933 13416 3996 13211 11291 18831 3452 3361 379.2597 379.2669@1.112 5010 379.2669 379.279@1.1058708 42185 4153 32391 31754 5402 6454 6438 7649 6424 4108 3377 3176 3164 2990 4398 12936 24553 3219 3479 3637 3854 4398 4974 6328 4849 3263 12136 2993 25855 6027 18141 379.279 379.2811@1.102 4745 6062 4225 5316 3935 379.2811 379.3075@1.163 2509 379.3075 379.3135@1.172 1992 379.3135 379.317@1.1634167 1776 2420 5305 1852 3172 2315 2264 2425 2546 3109 4576 4008 379.317 C16 H41 N7 O3 2534 2730 3119 3421 4584 1685 4395 4101 7040 7215 3109 2559 2187 4995 5557 3865 3680 2728 3229 27548 26919 2028 4157 3423 3532 3641 2499 2285 9479 8381 3150 4062 2550 2510 2918 2962 3424 4319 4275 4287 4276 3575 5488 2719 2206 3735 4179 3494 3865 4046 3665 4039 2485 379.3275 379.3314@0.928 2328 2338 2230 2062 379.3314 379.3784@4.096334 3332 11910 3975 379.3784 379.4461@4.0993333 4996 5945 2617 379.4461 380.0974@1.145 2577 2966 380.0974 380.1003@3.0003335 41745 6254 90229 380.1003 380.1008@3.039 36285 380.1008 380.1229@1.1065 4430 3573 380.1229 380.1307@1.1635 6643 8133 380.1307 380.1825@1.621 10228 8195 380.1825 380.2094@1.1524999 1885 1744 380.2094 380.2348@1.384 5970 380.2348 380.2471@5.3105 9304 9414 380.2471 380.2481@4.1857996 2576 6022 5190 3606 3618 380.2481 380.2489@1.1443001 3889 3519 2980 3991 4293 3121 1979 2757 1993 3580 380.2489 380.252@1.4354 7723 9722 4904 5311 5480 380.252 380.2631@1.1434286 2742 3301 3762 8769 4785 6444 8642 3641 3671 6448 2699 6478 4692 3692 4105 4995 6150 5330 3852 3605 380.2631 380.264@1.1612779 6623 9586 4846 4532 3916 4009 4069 3945 2138 2323 2400 2347 2466 3657 4591 8154 5296 3739 380.264 380.2805@1.1571666 2279 2735 4568 4995 5762 2734 380.2805 380.2869@2.001 6768 380.2869 380.2896@1.115 11538 380.2896 380.2921@2.349 5247 380.2921 380.2923@1.1362106 3045 2647 56304 66472 64655 91346 95452 25889 97493 112125 7079 3798 3569 8930 2537 2074 12926 9198 3745 380.2923 380.2925@6.0606003 5569 4471 5823 5118 3869 380.2925 380.2934@1.4283999 5229 4842 5314 5671 10206 380.2934 380.3045@1.2188749 5775 6177 3793 3472 10361 7946 4963 4994 380.3045 380.3114@1.16 1859 380.3114 380.3153@1.1536667 7884 6867 2011 380.3153 380.3488@1.03 2115 380.3488 381.059@2.0535834 4333 3502 3202 3880 3858 3694 4598 4591 3126 3680 3325 3648 381.059 381.1042@3.0165 4675 6412 381.1042 381.1111@0.90125 3525 3831 3631 3104 381.1111 381.1206@1.0915 3957 3501 381.1206 381.1218@0.7395714 6138 5592 3723 4334 13347 13354 381.1218 381.1817@2.0417273 3226 3860 5523 6264 5350 6579 6970 6707 6926 5618 5962 381.1817 381.2106@1.122 5831 5593 381.2106 381.23@5.82 2040 381.23 381.2333@4.2340837 5416 6149 4524 4254 3906 3986 5234 6820 5283 4843 6102 5314 381.2333 381.2425@1.205 6963 381.2425 381.2489@1.1875 5792 5395 5604 6137 381.2489 381.2524@6.2908 3404 3398 2954 3534 3735 381.2524 381.2565@1.128 5102 381.2565 381.2657@1.1398001 4869 2635 3373 2977 2255 1985 2681 1768 1791 2957 381.2657 381.2695@1.201 3807 381.2695 381.2773@1.1715 2561 2134 381.2773 381.2778@1.1853999 2580 2149 2980 2441 2966 3125 3809 4499 2893 2410 3191 2811 9229 9455 3396 381.2778 381.2807@1.1726363 5353 4479 5042 9563 3397 2436 4320 4236 3949 3549 18209 381.2807 381.2943@1.116125 26482 32977 4969 13764 21149 24898 3087 3107 381.2943 381.3041@1.2025 3664 3448 381.3041 382.0222@1.1928333 2431 2065 1734 2009 1962 1585 382.0222 382.0387@0.75437504 5515 5802 24102 23638 4709 4398 3049 2447 382.0387 382.0863@0.8374167 12225 12951 49093 51485 14817 7975 11618 5731 4648 5011 15998 16761 382.0863 382.0873@0.88199997 4517 3970 382.0873 C14 H22 O12 264805 252103 204430 208969 176855 186791 174385 169677 191275 189226 248468 225432 252145 257976 216147 220293 349631 330214 219577 217676 350048 323513 162814 215984 220902 238847 307300 308287 164725 212318 350836 264092 229061 234682 144237 135346 161695 156137 150513 157974 277451 267078 387186 375037 247145 232737 315037 295542 194645 155053 151888 177520 273249 253047 187780 196781 254560 187431 181947 179691 146552 214903 174862 197246 142908 135205 249450 229575 317566 342154 289266 148153 183611 199661 306063 311231 263436 281484 219604 210285 146537 163834 160216 230878 221987 15014 48582 217336 235461 244273 382.1116 382.1116@2.6323638 20916 12489 10675 1470 12288 16193 16902 76323 41246 14397 11107 382.1116 C14 H22 O12 + 2.6199002 32978 20566 9570 30525 34260 18889 59337 46229 31840 38343 20788 46687 9683 28264 22519 17981 17285 35060 33771 17278 27717 47028 12368 10233 46222 25501 35990 31492 27057 19497 10453 17839 10709 8589 20250 2128 27881 26951 15474 26889 41749 20820 16146 34401 31826 61261 56981 54655 40782 39647 20507 33936 21839 11771 17095 24514 24051 28548 20446 13014 32771 36434 18137 24890 45115 37185 15027 75155 176473 31172 382.1118 382.1118@2.7473335 48359 113717 132255 382.1118 382.1124@3.362 1393946 382.1124 382.1159@1.4335601 9210 8478 3616 3592 2909 4314 4669 6440 5719 3602 4301 6428 5823 4469 5271 4997 5281 6995 6650 5819 5654 5742 2926 2490 382.1159 382.1206@1.0402501 3714 3451 12404 12992 16397 16670 5368 5624 11396 11350 18136 18026 382.1206 382.1452@1.2046 9368 11956 11519 42357 38985 382.1452 382.1511@1.2219999 9477 3053 382.1511 382.1599@1.2053334 1551 2302 2174 382.1599 382.1926@1.369 2312 382.1926 382.2026@1.2145 3813 2575 382.2026 382.2165@0.9312383 27844 27889 3008 3099 6298 6362 6233 6263 9422 10517 3130 3168 5400 5199 16910 16197 14947 14638 13491 13838 2423 382.2165 382.2235@1.005 3242 382.2235 382.2416@0.89066666 45063 46792 382.2416 382.2477@1.124 3142 382.2477 382.2482@1.034375 15960 17378 3498 3210 1811 1380 6775 2123 382.2482 382.2576@1.037 7859 382.2576 382.2583@1.0590335 4004 2958 4310 2162 4250 8620 8187 5865 6426 4676 3334 8478 8539 9707 7863 3866 5996 6615 6096 9895 10328 5630 5906 7884 8033 4755 7774 7368 2693 7828 382.2583 382.2644@1.1492 2064 3724 3702 2200 5163 382.2644 382.2737@1.1276 2556 5349 2084 8148 4886 382.2737 382.2747@3.305 4742 382.2747 382.2841@1.1346 6527 2643 2160 2585 1835 382.2841 382.2914@1.1057501 1625 8657 4803 3075 382.2914 382.3002@1.0871668 5946 8456 6701 3102 2967 8275 2367 2147 5644 1643 8164 3546 382.3002 382.3245@0.8193333 3634 2803 4599 4353 4174 4387 3244 3009 3110 382.3245 382.3278@1.03125 1383 2836 1026 2437 382.3278 382.3356@1.035 2545 382.3356 382.3578@1.204 26632 27244 382.3578 C8 H18 Cl N3 O4 S4 2757 3119 2880 3176 3201 3135 3582 3552 3081 2738 3613 3535 3427 3498 3843 4156 3365 3344 3433 3348 2751 2920 4185 4134 3691 3346 3018 2919 3658 3280 3266 3274 3139 3184 3380 3470 3778 3696 3574 3505 3307 3366 3074 3464 2935 3123 2816 3103 3233 3162 3677 3102 3232 3333 3525 3646 3293 3631 3440 3140 3648 3844 3412 3331 4156 4215 3304 3085 2860 3270 2912 3063 3549 3626 3174 3103 2985 3262 2724 2553 3050 2965 3443 3039 2931 2921 2970 2855 3009 2631 382.9871 383.0185@0.851 13727 383.0185 383.0985@1.087 9363 9335 1500 383.0985 383.1071@6.0392504 7376 7131 4469 5250 383.1071 383.1152@2.70005 2012 2284 7066 3639 6666 10755 12500 6749 9526 4914 7435 9515 5998 8439 2524 7647 32895 7224 4445 6297 383.1152 383.1158@2.67525 4136 1940 6630 3682 383.1158 383.1431@3.963 4783 383.1431 383.2179@1.2845 5852 5480 383.2179 383.2194@0.984 2605 383.2194 383.2207@1.7590001 7068 6135 383.2207 383.2304@1.1010001 2149 2015 383.2304 383.2595@1.1279999 4086 3550 2335 383.2595 383.2693@1.7318333 8993 24166 8210 7588 7680 9771 11191 10543 13268 14006 9440 3585 383.2693 C22 H33 N5 O 8157 10139 5600 5370 5648 5796 8595 8551 4530 4847 6172 4715 13069 10432 9387 8184 12832 13637 3137 6713 8106 8212 5196 5808 3601 3587 2997 3504 11377 11608 8203 8909 3322 3944 4631 4175 9668 9620 4836 4244 2953 2879 11532 12161 5696 5343 4908 8338 10013 6697 6113 7812 8742 6052 5841 12453 12213 5007 5697 4331 3990 5030 3831 6961 6778 6479 6329 7579 7253 3339 3372 11813 10735 14186 12085 6220 6500 8450 7595 7376 7551 7243 12979 12739 8960 9088 6147 7904 383.2698 383.2705@1.8390001 4820 6505 4717 383.2705 383.271@6.2464 6313 2773 3230 2820 4409 383.271 383.2711@0.7975 6533 6219 383.2711 383.272@1.194 1545 383.272 383.2779@1.075 3439 383.2779 383.2921@1.2061855 8650 8266 4694 5894 3870 4853 4887 6509 2959 3895 9208 9500 11278 6231 2001 3091 3712 4968 4706 4336 5767 3764 6136 4516 5455 5783 7610 3923 4096 4754 7450 6614 5521 4944 6750 3903 6812 3847 2637 2929 5289 3348 4534 4227 8149 5765 3595 3461 4404 4629 3352 4520 4272 3958 11637 12884 3800 4275 5469 5050 5424 6911 5542 4245 2428 3392 3367 3239 5444 3565 5432 4705 3891 4130 5981 3713 5989 7348 6046 7758 383.2921 383.2957@1.0804546 4271 4785 4001 3976 14756 9039 10632 6425 10613 13627 4027 3128 6314 6145 3634 12189 14918 2160 7413 5605 3942 3795 383.2957 383.2979@1.0988667 7196 5473 4046 4693 4013 5050 5070 6215 8893 4388 8590 7347 5051 5966 5341 5150 6893 4209 5049 4600 5035 4407 3180 3807 15313 4426 6510 3909 3480 31458 383.2979 383.2986@1.201 6750 22349 383.2986 C11 H8 N6 O10 5851 5909 9167 9737 6238 6128 5784 5654 7721 7984 6238 6754 3878 3889 4715 4242 6341 6501 5088 4983 7945 8766 4932 5147 3853 4235 4343 5143 6154 5860 7996 8510 6206 5915 8302 9023 5446 5367 9044 9765 6706 6648 7948 7626 5527 4958 7148 7186 8389 8007 7391 7660 5599 5598 5303 4942 6593 7044 5432 5885 7519 7560 8494 7977 7275 7689 7563 7605 6562 6617 5510 5591 6540 6473 7186 7748 6015 7240 5900 6401 6875 6551 7330 7247 7695 6461 6182 5418 3115 3594 4522 3685 384.0298 384.0366@2.671 19012 10853 384.0366 384.0367@2.771 6484 12825 384.0367 384.1226@2.801 3021 2728 384.1226 C14 H25 Cl N2 O8 12475 3131 5916 8492 7703 12367 12892 7287 11559 11925 4473 5194 4552 5012 6281 6808 5645 5052 12625 11531 3971 4209 9351 4145 5662 3556 10802 6033 10892 4972 7608 3838 4981 8365 2282 6562 10369 2777 7628 3692 10907 3679 5320 3473 384.1337 384.1352@2.7451248 7358 3158 11687 3638 6530 9007 14124 10574 384.1352 384.1395@5.9768333 66526 66956 12978 13015 7765 8272 384.1395 Ala Ser Trp 9019 14253 11790 13189 11865 13305 5621 13934 3676 3941 4186 13885 5697 15220 6283 5473 8183 7042 8458 11015 5317 8075 7319 12733 4867 10379 11326 11832 7899 5745 10571 8922 5934 15085 5580 9897 15424 16066 6049 5286 7703 5324 11764 4920 4064 4832 5785 12033 5405 6153 11789 12141 8481 6971 10825 7360 6066 6530 12636 12402 7222 6080 8023 12514 12018 7025 7043 2606 9373 10611 7585 15528 6875 384.1419 384.142@1.3503332 65656 61824 3964 3877 4669 5424 384.142 C12 H20 N10 O3 S 4866 8200 5852 7262 9189 7181 4394 6008 5919 5796 7736 7178 7228 8102 5942 4800 3467 6366 6686 4677 9477 5944 6534 7939 8502 8384 5315 5396 2817 5399 7812 8749 8228 4800 5320 5940 6943 3486 7022 5610 6117 6494 9626 10752 8120 6123 8362 8164 2532 7500 5988 5437 6725 7590 6723 7094 6739 7007 6781 9908 9113 7239 10791 7447 5750 384.1447 384.1447@2.6793334 1718 4315 5970 384.1447 384.1897@1.9690001 6657 5103 384.1897 384.1963@1.949 1977 384.1963 384.2036@6.067667 2742777 4256 648732 639412 5147 32432 6624 258346 255393 384.2036 384.2048@6.071 2741270 384.2048 384.2377@1.1515 4186 2677 384.2377 384.2539@1.0934999 2797 2146 384.2539 384.2672@1.1488999 9776 3004 5532 13728 7951 7475 2578 4764 4677 2997 384.2672 384.2725@1.1971667 2033 3951 3655 8274 8008 4044 384.2725 384.2796@1.146 4145 384.2796 384.2893@1.0953 3046 4204 4330 4829 6583 3479 3721 3635 5106 8633 384.2893 384.2979@1.0850999 7498 5177 4424 3898 4513 3718 3719 5894 11862 4463 384.2979 384.3018@1.0826668 4720 3870 2104 384.3018 384.3245@1.043 1878 4309 384.3245 384.3734@4.802 3028 3417 384.3734 384.9366@0.71150005 4758 5258 384.9366 C30 H11 N 3889 3830 12180 13880 3129 5758 4956 4871 5834 8527 8244 7979 5938 5977 9034 8554 5663 5072 3390 3615 10387 12500 7200 7190 9303 10629 7011 6820 2197 2066 7619 11122 8887 10122 4889 3563 3088 8837 8089 6916 5262 5069 5277 4172 16280 11981 2770 2888 6650 5725 12228 11250 11233 1904 3578 8838 8559 4398 5041 385.0878 385.1027@2.045 5268 5679 385.1027 385.1393@2.6715 20999 21249 385.1393 C15 H23 N5 O5 S + 2.6973405 36199 40125 13379 18554 19779 19027 15602 16234 25255 22885 20523 23124 29277 27623 13679 28469 21744 17534 15428 25757 27948 38283 23299 21666 16752 23961 20924 24005 21158 22405 19340 13382 12347 32822 22500 25212 25410 27970 25435 18180 36436 29787 23306 24194 28733 16102 26797 29991 7215 27274 385.1419 C15 H23 N5 O5 S + 2.7317047 22733 26857 43993 30228 39989 42152 43128 39987 27675 44099 27517 27901 27028 41916 39784 23230 29516 27225 47311 47896 25803 25638 37621 40231 36189 41088 26178 36891 36812 38931 27487 32347 39404 23204 38835 37745 41531 36009 32931 30881 27958 23947 15956 47822 43682 31088 31425 51288 50056 29969 30068 26723 28684 37066 16171 22408 26656 35221 33614 24841 26154 35701 32342 5587 36294 48749 24038 30812 25772 30890 33881 34855 38660 34024 38335 25752 23069 19424 48326 36880 39477 34818 29491 28087 46110 43273 28114 24000 385.1423 C15 H23 N5 O5 S 19887 13985 16544 15533 20726 21448 33694 34607 29743 29269 18174 18864 16151 17073 23170 23584 15674 15781 20581 30244 28877 17120 16683 22844 24163 22255 23163 26523 25581 20717 22042 24567 23104 31597 12323 30154 33937 22463 20274 20417 13644 19138 21317 20434 19450 21844 33392 14630 10491 32075 16376 18244 25753 25754 16312 23827 5628 9389 24549 21909 23160 24873 42346 45633 8679 18183 13296 15232 35468 35319 13610 32193 20547 26050 25010 29523 23792 25606 13206 31663 30043 40859 38165 40462 37695 36346 37492 11873 21590 385.1427 385.1471@1.204 4167 4009 385.1471 385.1497@4.187625 4798 4676 3696 3445 4249 4821 39835 40723 385.1497 C20 H27 N5 O S 4461 4387 8239 8144 3115 2859 5143 5646 6765 6793 2391 1999 4123 4179 4717 5305 5248 5272 3357 3736 2425 2573 4122 3654 3877 3121 3329 385.1938 385.1965@0.9125 3823 4025 385.1965 385.2088@1.0662581 5228 11212 12458 5968 2738 4415 4079 4221 3878 4876 9879 6561 5694 22345 22245 21662 21429 5390 15994 3445 3554 3841 7181 3811 3979 6092 5479 5189 20688 20247 385.2088 385.2131@1.0671 8172 9709 3143 3012 2444 3234 3752 3433 2433 3749 385.2131 385.2281@1.1356667 1224 4998 5479 4319 40207 2141 385.2281 385.2286@1.1185 3213 4295 1740 2754 16135 17420 22344 21491 19043 18512 2946 6285 5736 39864 4049 4015 385.2286 385.2291@5.983 2091 2743 385.2291 385.2346@6.706167 2616 4273 4053 2544 2254 6627 6525 3245 4116 2317 2969 2827 3003 2670 2538 2558 2713 2280 385.2346 385.2401@1.13875 1933 3388 2110 2375 385.2401 385.2493@1.152 3099 3909 5920 3565 385.2493 385.2556@1.144 3362 385.2556 385.2638@1.146 3775 385.2638 385.2681@1.812 4742 385.2681 385.2706@1.203 2200 385.2706 385.2796@1.202 1993 385.2796 C22 H35 N5 O 3958 4142 5011 4408 4830 4145 2938 6609 6038 4005 4147 5455 5695 6703 7503 21918 21750 13395 13211 4993 4890 4567 4625 3985 4297 10724 11018 5140 5535 9175 8743 10094 10251 4078 2882 2762 6960 7067 3495 3663 9251 9767 3282 3303 5634 5791 5258 6068 6376 5448 5885 5813 5332 385.2854 C21 H40 Cl N3 O 12633 13191 18461 11790 11482 10538 16053 18074 12792 8035 11946 11211 23340 33307 3560 2948 13951 19877 20603 20685 7704 8123 12115 11735 9788 9229 3889 5387 2828 8896 28154 26083 11316 6734 7495 6217 6424 19827 30060 4431 4121 14279 5596 20607 31201 15845 14739 5088 24271 11649 14217 10483 9993 13950 10967 18079 28845 28633 9192 8377 4585 4312 5920 6133 10113 9971 12704 12695 12070 16802 4762 3427 18241 19743 20364 22390 10290 15539 20484 12243 12956 12997 9724 9556 11756 13873 9008 5933 385.2855 C22 H35 N5 O + 6.242228 6651 8966 7535 7776 5054 11025 12080 9101 18389 18779 6662 6928 9799 8962 6222 6246 3947 4617 6110 8180 12801 5254 12529 6493 6468 9309 3312 3923 13143 7580 9873 5280 6144 6834 5406 5607 4481 4597 3725 3693 4405 4863 5352 4556 18032 16479 6824 7331 7298 6238 19521 11195 10942 13292 11295 4632 7113 385.2855 385.2857@1.2054999 4168 1660 385.2857 385.2983@1.2042 2066 1976 2220 2127 3343 385.2983 385.3104@1.2042999 3522 3854 2588 1709 1202 3989 5443 4907 1897 2415 2419 4517 3078 2857 3336 2512 3657 4077 7218 3346 385.3104 385.3186@1.2045715 8253 8022 3027 4036 5614 2966 3157 19146 23820 5536 6760 4083 36733 25685 385.3186 385.3215@5.362 3007 385.3215 385.7386@6.72 2130 385.7386 386.0064@1.0275 39923 41095 31372 29243 59974 56411 2925 5107 386.0064 C14 H18 N4 O5 S2 6942 7410 20806 19656 8108 7621 15347 16819 20981 21535 14085 7846 13540 15082 7297 12743 13797 13543 15609 15867 4934 22421 4829 23675 2716 13134 12734 11403 14282 11509 7483 6026 9832 9136 24497 30775 8624 4284 5256 8477 6395 16656 12114 12409 4846 5275 7498 8066 4801 5879 4128 4820 386.0727 386.0729@1.4334583 5999 5685 15340 2032 8259 9439 8793 7209 3135 3581 3578 18476 17161 16669 4831 21401 5144 21930 2793 11232 14567 12827 8305 2434 386.0729 386.0819@1.473 1271 386.0819 386.1339@4.343 8353 7759 386.1339 386.1341@4.236 2777 386.1341 386.1456@2.718 6452 7603 386.1456 386.1888@1.1226875 97401 162886 87214 49729 138275 34093 37474 34657 99844 97578 69200 65824 133501 131456 72892 75525 386.1888 Pro Arg Asp 111034 114642 180202 171874 99855 100646 166750 171134 195508 184435 54365 52916 96622 55120 57619 16963 18062 26767 28541 91452 91834 90810 86199 31825 31417 85371 82577 29763 29865 117976 116500 131737 131006 105082 98454 169986 123860 129815 121465 119552 24579 27524 41949 38059 47165 51604 86376 80832 81073 50708 136178 132953 38467 38634 103593 104930 101559 104519 179323 177546 83791 86950 89245 89950 82816 76678 123432 127242 139352 97730 91721 50489 50779 22905 26251 39039 386.1894 386.2229@1.129 4501 2204 3319 1398 386.2229 386.2244@1.068 4980 386.2244 386.236@1.1572223 4293 3701 3921 3966 3292 2303 6189 2036 2551 386.236 386.2389@0.9505 2139 4529 4610 2814 4710 4675 2147 1688 1835 2111 8145 1994 386.2389 386.2401@1.1812 5278 9161 7210 3417 4444 386.2401 386.2469@1.17416 8844 6612 2029 2442 7906 7729 6742 7995 8877 3978 2893 1742 4080 3118 13126 3725 14000 6176 4207 1800 4874 4859 9640 2231 386.2469 386.255@1.1905 3119 4585 3459 11703 386.255 386.2613@1.189 3320 2618 2379 386.2613 386.2736@1.1975625 2038 1399 3518 5803 4555 3184 3228 2783 1757 1985 1811 2274 3214 2216 2447 1979 386.2736 386.2814@1.1996667 1993 2388 2239 7804 4192 2099 386.2814 386.297@1.16075 2282 2857 3703 3808 386.297 386.3157@1.062 4317 4369 386.3157 386.3289@1.0574193 8299 9039 10845 5705 4365 12329 3820 4759 3820 8983 8477 12197 4863 10227 5997 9851 4283 3287 10874 26581 18102 3350 7257 13650 15683 17839 6391 6424 2552 11483 8900 386.3289 386.3294@1.065 7398 386.3294 C15 H38 N12 6763 6225 8353 17154 6113 19224 17356 27601 13728 15770 19283 16076 14664 5127 3968 3994 8155 15109 15628 4312 18521 12440 13420 10868 10640 5709 7135 14002 14843 18165 18738 11992 17061 7513 6626 5890 8504 18063 18511 14231 9429 15265 12039 12033 12458 13583 25484 27205 6777 386.3364 386.9336@0.71449995 6885 6716 386.9336 387.0209@0.8225 5131 5641 387.0209 387.0382@5.624 1274 387.0382 387.1556@1.2165 3434 2897 387.1556 387.1955@4.4434996 318575 322571 48085 50165 1065721 1055749 879540 886799 758403 744521 387.1955 387.2103@1.1205001 3583 5862 4370 7625 387.2103 387.212@4.5435 8735 8315 387.212 387.2166@0.8963334 13163 13424 4239 387.2166 387.2182@1.118 3013 387.2182 387.2252@1.119 3453 387.2252 387.2332@0.896 4340 5682 4645 5167 387.2332 387.237@4.562333 5859 8290 8206 387.237 387.2379@3.113 8581 15196 387.2379 387.2401@2.012 2182 387.2401 387.2419@0.909 5661 9185 8223 387.2419 387.2454@1.568 5754 387.2454 387.2477@2.1135 3611 4786 387.2477 387.249@2.9623332 12282 10411 13757 8235 4153 1941 6522 5838 4479 5889 5909 3319 6314 5875 6385 387.249 Lys Gln Ile 73075 76144 87063 86408 116662 115835 15185 18411 100789 101025 18389 18111 94147 182834 45823 46974 90660 88527 166602 15800 17565 142090 139616 145940 47396 43423 50060 48057 68623 81206 76744 128257 74266 74768 187690 52524 56064 125540 130133 147878 91744 37389 36697 43202 27393 43139 55200 52402 51527 85631 88610 68171 65304 181548 48674 40484 387.2491 387.2501@3.566 4979 387.2501 387.2502@4.117333 4038 6708 5340 387.2502 387.2519@1.19925 14441 13236 4414 5424 387.2519 C21 H41 N O5 11443 8740 9801 10023 10900 10787 8039 9577 5764 5981 7809 8309 14586 14057 3147 9156 9271 16839 15520 6682 5122 11145 10681 12868 8282 3864 4971 4601 5570 16052 13122 6640 6542 5749 5933 7863 6193 13512 14693 4225 4531 3616 14207 19963 8763 8484 4727 5716 5257 7061 8146 5886 4986 12074 11269 16168 13698 10265 8116 4243 5458 5233 4700 6121 5761 9911 8009 7713 8365 2120 3530 6692 7919 20334 20254 9146 8416 9880 9884 9315 8335 6925 8292 6263 9944 10967 6608 6186 387.3002 387.3378@1.09875 5873 20231 12140 3312 387.3378 387.3576@4.444 8657 387.3576 387.385@3.4534998 5761 12651 387.385 387.3858@3.6295 8400 8701 387.3858 387.3878@3.7 14073 15752 387.3878 387.7353@4.43 1304 387.7353 387.7534@3.496 4231 387.7534 387.7682@4.432 1927 387.7682 387.7894@3.551 20338 387.7894 387.7918@3.4854999 12158 2299 387.7918 387.8393@3.52 33994 387.8393 387.8479@3.5265 42295 1868 387.8479 387.8731@3.59 1615 387.8731 387.9456@3.494 1081 387.9456 387.9488@3.531 1958 387.9488 387.9516@4.443 2178 387.9516 388.0326@3.519 3743 388.0326 388.0626@1.505 24156 19173 16798 12334 17957 388.0626 388.0905@1.0569999 2315 2559 388.0905 388.1177@3.582 1939 388.1177 388.1178@3.97 10467 9629 388.1178 388.1481@4.581 3003 388.1481 388.159@4.46275 148036 148480 43769 43817 388.159 388.1762@1.203 21729 388.1762 388.2075@1.52025 6959 5751 5916 8867 388.2075 388.2112@1.1335001 3133 4697 388.2112 Trp Ala Ile 7607 16052 3717 3131 3270 4183 5291 3838 13395 12230 29595 29325 5627 4858 4987 5074 7415 5277 15112 14983 5050 7885 12042 6587 6348 11299 11645 15632 14797 32615 34452 6760 6111 3080 4156 6908 8838 8581 8080 3900 5391 7225 6221 7077 6193 14947 15321 4283 6399 5359 17241 13830 11888 13447 2569 2717 2507 3501 2532 4424 4469 6072 7586 7711 3417 3013 388.2123 388.2255@1.1655555 3882 7133 2028 5058 6250 4662 2955 2405 2786 2681 2542 1890 4909 4744 2858 2321 4029 1995 388.2255 388.2284@1.712 6657 7022 7379 7434 388.2284 388.2342@1.1451428 9927 9534 2633 3353 4135 4456 1704 388.2342 388.2418@1.138 2641 2132 2544 4223 388.2418 388.2503@3.484 4920 388.2503 388.2504@3.533 2418 3952 388.2504 388.2519@1.09425 12613 1641 3989 2116 388.2519 C15 H33 Cl N10 4548 5474 10187 3841 2466 4278 6705 4106 4490 12284 6633 4916 8056 6422 3347 4521 5909 6329 5823 5104 2695 3613 3085 4393 3906 5551 2581 5632 5600 3931 6229 6447 2076 9393 10567 2560 3086 6578 5056 2207 10464 2777 3361 4482 7428 388.2577 7,12-Dioxo-5beta-cholan-24-oic Acid 12865 18813 4487 7150 3408 3767 4987 8448 2662 4771 2160 12623 3519 4613 4258 2041 3095 16105 15609 6004 5549 7040 7847 14636 1714 9462 8602 3557 8175 13590 2480 3259 3710 3011 8712 7591 17107 9260 17724 19884 23181 22357 15181 15852 3185 8893 6597 7011 7066 7641 6743 388.2638 388.264@1.053 2613 15963 9125 4923 2663 2850 7703 2348 8081 388.264 388.2747@1.3605001 23393 22047 388.2747 388.2769@1.0623333 5301 6032 2056 388.2769 388.2881@1.066 3538 5572 2951 3386 388.2881 388.297@1.0613333 4117 3180 2476 3756 3233 2126 388.297 388.3042@1.0566667 3023 5583 2775 388.3042 388.3135@1.0562105 5691 7865 6642 5279 4487 4864 3625 3821 4166 3365 4586 2495 5853 3514 4684 4750 4324 4881 3952 388.3135 388.3182@1.0513334 5492 3734 4947 3295 5357 2518 388.3182 388.3827@3.5110002 4054 2654 388.3827 388.3844@3.5095 6164 5921 388.3844 388.4175@3.582 3126 388.4175 388.9027@3.51 18243 388.9027 388.9491@3.498 11170 388.9491 388.9557@3.563 4054 388.9557 389.0125@3.502 10166 389.0125 389.0639@1.179 2987 8964 8648 389.0639 389.0672@1.1785666 1762 1705 8922 2707 2438 4490 2750 10545 7457 8716 9540 2618 4158 3294 8805 8229 8986 8416 4587 3386 4463 2522 2405 3576 3028 10032 8315 8235 6298 389.0672 389.0732@2.1495 5551 5283 389.0732 389.0995@1.206 8894 389.0995 C13 H27 N O6 S3 22040 20971 14997 14852 12670 13162 13820 6582 12404 11600 15403 11275 16730 10388 13525 13175 23195 25767 15901 10002 17636 7710 13830 14513 14345 14756 18501 5335 13589 9870 24489 12405 12911 10412 10312 10200 11198 10064 11539 20021 4561 23856 16843 17287 17049 8417 19736 10699 10458 19173 18814 5547 18645 9589 10151 16671 15036 12280 12161 14437 14124 11028 10795 11163 9942 18917 18815 21639 22957 7373 11753 10678 11604 7748 24448 10819 12212 16765 10066 11327 11569 6601 15324 15085 15457 14354 13269 14179 389.1009 389.1011@2.761375 6089 4014 6476 6209 9463 5814 7018 11496 4008 3973 12413 8492 7965 7514 4689 4703 389.1011 389.1071@1.2095 2081 4558 7935 7894 389.1071 389.1168@4.009 5847 5619 389.1168 389.1201@1.0325555 1904 1807 1930 2554 2372 4493 4741 5073 5174 389.1201 389.1601@3.9755 3995 4143 389.1601 389.1617@4.102 12932 15179 389.1617 389.1655@2.177 5708 5543 389.1655 389.2094@1.063 8078 8023 389.2094 389.2444@6.8835 5310 3903 389.2444 C24 H31 N5 4429 3923 2399 4213 6353 5131 6059 5627 7986 4720 5451 3795 4552 4059 7203 10538 6100 3976 5043 2908 5156 3349 6141 5841 7297 10001 8400 8882 3810 5010 7694 8115 4348 6060 389.2568 389.2574@5.704 1500 389.2574 389.2638@1.025 2794 389.2638 389.2815@1.1929165 4222 2605 2517 3100 4438 3827 3416 4846 4891 3522 3555 4462 389.2815 389.2826@1.1842499 3927 3758 1605 2933 389.2826 389.2895@1.1891999 3664 3650 3611 3017 3022 2078 4165 4332 10384 4038 4917 3401 4910 8790 8247 389.2895 389.2937@2.3795 5042 4746 389.2937 389.2952@1.1685 4890 5552 389.2952 389.3147@1.105 11707 389.3147 389.3153@1.1075 32132 12923 14862 5964 8024 65709 15319 12423 389.3153 389.4217@3.5275002 15670 4661 389.4217 389.6688@3.505 6278 389.6688 389.7541@3.509 3651 389.7541 389.7991@3.49 2142 389.7991 389.8004@3.522 5098 389.8004 389.9589@3.494 2785 389.9589 390.091@2.79 17853 390.091 C19 H18 O9 41319 62471 52699 27870 15224 16983 42896 39885 51231 58904 73840 23854 18656 65242 34652 66054 43351 57783 23194 30404 50095 13936 51268 48401 32271 26575 63297 35030 83341 54391 71439 71060 51304 23098 61555 20599 57938 57714 67322 22327 43651 50881 47609 87744 82518 36102 19615 32063 31190 32788 51850 39762 36670 68519 20880 6387 13262 72263 70871 24582 20628 390.0968 C13 H14 N10 O3 S 101851 57167 71069 70043 41515 33444 40353 37908 68190 23605 36651 51532 9776 69991 113138 52127 80962 49264 33225 25687 87591 20727 37681 23459 122002 110449 58989 60579 33298 15852 26010 89442 81864 29197 76596 32092 80070 85029 20039 17762 18888 43827 25681 64826 64281 32395 29467 105397 109602 90662 41598 53528 40435 72448 112345 48047 56788 73255 61588 18024 48067 5797 38929 44447 390.097 390.0973@2.745 48049 390.0973 390.1377@1.2084999 12855 12654 390.1377 390.1661@2.169 28074 390.1661 390.1982@1.2725 4218 3065 390.1982 390.263@1.1931999 9642 3532 4034 10091 5307 390.263 390.2715@1.1716 12030 3918 9295 7045 9197 390.2715 390.2752@2.0728571 9581 2334 3994 3303 3792 10883 8387 390.2752 390.276@2.037 2324 390.276 390.2766@0.663 2487 390.2766 390.278@1.0596206 34526 51997 65560 3268 25999 24102 66549 57144 28576 401374 31425 4410 54538 9878 11949 78707 21120 414879 2842 24152 535972 440551 439987 434285 417074 448688 420284 438870 21495 390.278 390.2786@2.8039162 4175 7120 6894 5641 6993 5503 6197 6718 7735 7682 5208 12963 390.2786 12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid 7107 5582 5459 5336 8355 7405 3850 7106 8226 6045 5468 7623 4593 8956 4669 8365 5242 4375 5380 7067 5264 5262 6361 6781 9102 3400 7980 4629 5195 5129 6108 3011 5584 9951 5715 9003 8256 5735 9058 4295 3971 9752 6064 3288 4186 6095 8630 3046 4578 7005 4938 4187 5598 14313 11430 2389 9435 4492 9598 390.2787 390.2788@0.70018184 3091 5077 6268 3338 4519 4288 6890 3888 3872 4777 5080 5038 3981 3358 8881 4155 4527 12287 5732 4494 5220 10819 390.2788 12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid + 1.175578 34215 24468 16078 16035 13913 14800 38369 26436 23966 22802 39312 35875 3544 4863 19869 17018 14483 13509 510981 34429 28184 24038 25756 11436 9844 10469 10292 25205 24511 21373 14008 18391 8509 4522 16087 9394 8697 9894 9536 19579 19513 29348 22997 32612 36109 2709 2678 18601 21006 49505 44058 21057 17132 20270 21156 4033 9325 540142 6186 15947 18935 15611 15779 390.2793 390.28@1.8351668 4210 10782 12237 3427 5612 5331 390.28 12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid + 1.0063637 447447 406737 572201 557117 513880 504565 361454 368979 243151 248406 606523 586528 604718 599014 530894 536230 556298 554807 699682 662063 417007 421742 2420 502106 537528 550105 352304 313633 6006 400633 352628 369032 368523 360430 345637 342115 335185 320108 392939 372503 281466 279401 459042 465417 534332 539998 379452 379939 502121 498814 368175 385913 346251 338756 470474 490925 404018 411291 375289 389285 506631 539697 266944 279157 393047 390959 205256 206186 271655 276219 652185 590848 493796 487891 522533 524790 5158 376854 411273 462872 469987 574932 8460 12529 11128 8897 421698 390.2807 390.2821@1.6495 6008 4524 390.2821 390.2902@1.11575 4068 1688 2405 15798 390.2902 390.2982@1.087 6702 390.2982 390.305@1.0876999 13350 16233 14381 8942 23863 13030 6481 11809 21262 9578 390.305 390.3364@0.9165 97504 15215 390.3364 390.4455@1.016 10520 9682 5311 7187 6290 2999 3017 1924 6476 6607 4734 1185 9451 5237 4997 5122 390.4455 390.782@1.014 4328 390.782 390.9699@0.79 2765 390.9699 391.0565@1.254 2478 391.0565 391.0754@0.8275 6915 3290 391.0754 391.0853@3.086 17187 391.0853 391.0861@3.0034 2577 71319 62389 5197 12046 13203 15204 13403 14010 4931 391.0861 391.0885@1.2056668 3697 3741 1986 3513 2860 3125 3063 1944 2242 391.0885 391.0906@1.197 2699 391.0906 391.1@2.746 7289 2454 2342 391.1 391.1003@2.7741365 1887 11000 4224 10878 5237 9206 15342 8356 1368 2551 4184 5842 8548 12832 11481 6666 11904 8242 11056 5136 10352 2392 391.1003 391.1331@1.1275 6095 7247 8497 391.1331 391.2061@6.0039997 3277 3305 391.2061 391.2484@1.204 1554 391.2484 391.273@5.5723004 1958 2420 3235 3350 2319 7127 3286 5056 4603 6751 391.273 N-arachidonoyl D-serine 7142 9953 3070 6804 9041 8464 5387 3434 9904 6075 3112 19683 18924 14908 12662 7169 7398 14885 17014 24921 28901 7792 8881 34126 4868 6709 7999 7370 8949 6651 4159 13213 7183 8030 7764 7788 8262 4535 9180 8093 8383 15503 11940 13673 3907 4149 9641 8884 10388 9102 10047 11007 3472 9521 7381 7667 LMFA08020004 391.2739 391.2778@1.155 1934 391.2778 391.2849@1.1466666 4222 2448 8222 6741 2222 3476 1475 4200 5754 391.2849 391.3003@1.1478235 6435 6922 3004 4786 7483 7202 3712 4354 14128 14590 2127 2287 2401 3304 24814 28580 391.3003 391.3041@1.098 1743 1979 391.3041 391.308@1.4355 7591 9178 391.308 391.326@1.162 6445 6277 391.326 391.7457@5.382 11047 74014 4514 35907 17667 391.7457 392.1536@4.5235 7045 6588 392.1536 392.1838@2.729 11307 392.1838 392.2092@1.3223333 42926 43308 3930 392.2092 392.2422@1.21 3128 392.2422 392.2506@1.199 2684 392.2506 392.2715@1.1373571 4209 2219 2711 5409 3129 15885 14734 4209 2444 4355 2643 3199 4910 3303 392.2715 392.2778@1.1407694 4277 2849 2357 2524 2499 5130 2915 4456 5865 3280 4837 4354 2950 392.2778 392.2915@1.05575 4325 25765 35369 23152 392.2915 392.2975@1.0665953 15762 13886 22236 23385 17816 17747 14669 13708 12660 11017 26889 18976 17903 15844 19291 15753 13990 15528 16617 19354 17649 16983 22281 11893 9584 19198 15229 14512 25097 17454 22625 20574 19629 9475 10925 21507 13389 16271 11300 16406 22636 24145 392.2975 392.2989@5.216 3954 4034 4221 392.2989 392.3035@1.076 12996 9241 392.3035 392.304@5.1770873 4332 4331 4042 5885 4371 3666 3555 6032 3884 4346 4539 3227 4322 6965 2865 1614 3193 4723 6842 8053 2097 3745 5442 392.304 392.3243@1.047 5441 392.3243 392.3452@1.047 7332 392.3452 C18 H3 N O6 S2 2327 2577 2561 2197 2295 2599 1756 1725 2285 2308 2072 2270 2090 1985 2476 2614 2520 2446 2254 2070 2728 2893 1868 1870 1736 3036 2948 2279 1888 3114 3091 2336 2234 2889 2581 1976 1762 2229 2282 1795 1745 1895 1862 1896 2053 2359 2316 1968 1919 1878 2120 2468 2362 2338 2531 2427 2699 2522 2460 2244 1626 1813 1796 1972 2132 2300 2330 2144 2763 2568 2317 2724 2789 3089 3159 392.9414 393.0663@1.076 8712 8768 12256 11994 393.0663 393.0933@3.644 5648 5253 393.0933 393.1014@1.233 8474 7190 5887 5530 5263 5279 393.1014 393.1014@1.6159999 11007 7701 393.1014 393.1021@1.468 7363 393.1021 393.1272@0.7933044 2760 4051 5346 6081 5303 6268 5375 5918 3315 2987 4444 4422 3110 7608 8021 4739 4936 4436 7664 7061 6349 7557 393.1272 393.1309@3.168 5407 5121 393.1309 393.1963@3.9572499 6557 6930 4338 4096 393.1963 393.2189@1.2065942 6160 4486 21857 20444 4052 5519 3396 3372 4980 6158 7530 2603 2305 6163 3664 14264 13154 6028 2853 4095 3584 3380 4251 4837 6552 7716 7656 18267 16957 4359 5355 3854 13430 11472 7026 7049 3962 2594 3191 15480 13369 7931 10448 4118 4102 5649 7083 11092 11817 11974 12866 11456 10915 1955 2570 2541 2399 4516 4066 2578 2723 3275 5691 5392 393.2189 393.2207@5.969 4745 4706 393.2207 393.2225@1.211 1753 1872 2712 3483 5299 393.2225 393.233@1.1975 4371 4653 393.233 393.2613@1.051 14438 14467 393.2613 393.2722@1.031 2566 393.2722 393.2857@1.04825 4534 3732 4113 6241 393.2857 393.2884@5.49 5322 393.2884 393.2893@5.541 3524 6975 4816 5145 2708 6972 6377 393.2893 393.2895@1.0803845 6023 6665 6467 10406 4324 9384 8460 5161 8770 8664 6947 7445 8851 7104 6725 6280 9033 5090 5783 1856 3590 7481 7964 4251 5679 393.2895 393.3026@1.119 2894 2537 2277 393.3026 393.3133@1.171 2995 4052 1321 393.3133 393.3242@1.151 5117 393.3242 393.337@1.1595999 4975 3842 3554 3874 3831 3219 4688 2053 3219 2724 1900 1729 3129 2566 2312 2954 4752 4101 4584 7303 393.337 393.3402@1.1602 4343 2265 5095 5741 6171 5713 1746 11231 8652 4720 393.3402 393.3468@1.1551219 5803 5230 15750 14556 8822 39546 41525 4444 3797 53952 39116 33243 30388 4908 4749 12839 9566 4392 4487 8691 9106 9449 9428 1911 5635 6015 6138 23938 26337 5246 9442 7955 4291 11769 11952 8887 12001 8883 23581 20019 393.3468 393.3476@0.921 5661 4528 393.3476 393.8668@5.5164666 1198 1217 1087 1151 1201 1551 1260 1269 1330 1189 1354 1417 1204 1332 1433 393.8668 394.1288@3.163 3055 3112 24075 23418 394.1288 394.2145@3.568 1446 394.2145 394.244@1.208 4705 2516 394.244 394.2548@1.233 2966 394.2548 394.2612@1.028 1906 2093 394.2612 C20 H43 Cl N2 O S 22505 34433 39776 24939 27056 28008 49723 24129 33377 18251 21955 27620 34472 33034 12530 25819 24890 16343 16270 19734 20877 30294 30864 21571 22585 27147 32371 28492 23101 8355 24269 35742 38735 35118 34136 29429 32398 24212 23493 33930 44797 35763 24792 22673 394.2765 394.2829@1.208 3348 394.2829 394.2896@1.177 2430 1768 394.2896 394.3108@1.1561667 4325 3249 2912 1634 2818 3432 394.3108 394.3169@1.06796 3468 4137 3019 2586 5765 2939 5722 5619 2138 3784 4763 4547 2354 3405 2172 4806 3667 2767 3376 2263 3638 3961 1526 6612 2012 394.3169 394.3229@1.0832999 5622 2275 3363 3538 3203 4011 3288 2202 1552 2491 2005 2535 3426 3135 2181 1813 8170 3725 4149 4727 394.3229 394.325@1.202 1954 394.325 394.3281@1.081579 2855 2628 6782 5442 2578 4115 5274 3094 11615 5704 3400 3722 2730 2455 4946 3080 3555 4520 3041 1828 4771 3691 3469 2970 3547 2109 1729 1857 2742 4144 1683 7346 3085 2675 2939 4736 2526 394.3281 394.3336@1.049 5536 3703 394.3336 394.3389@1.1543126 3293 3243 2851 1742 1599 3197 1423 3213 2508 3686 3407 4156 2695 2369 2392 2187 394.3389 394.3402@1.042 4174 394.3402 394.3462@1.1506666 3389 3331 1806 1699 3199 3313 2257 2439 5211 1736 14006 1769 394.3462 394.354@1.1305714 4307 3455 2787 10619 1488 1743 15168 394.354 394.3708@1.038 5976 394.3708 395.2127@4.1654286 3382 5515 5753 4291 4320 4645 3805 395.2127 395.2134@4.316666 6990 6323 10935 10647 9158 8188 18611 15003 4869 4934 9786 7645 395.2134 395.2137@4.247 5290 395.2137 395.221@1.2035 4398 4945 395.221 395.229@1.2055 5088 3743 395.229 395.2357@0.84749997 7923 7726 395.2357 395.2491@1.2063333 2371 2568 2161 395.2491 395.2503@5.5686665 2919 4419 5586 395.2503 395.2716@1.1175001 2381 1856 395.2716 395.2765@1.1407857 7933 4231 3213 23734 2050 3067 3895 13651 2680 3646 2640 2596 5961 7386 395.2765 395.2832@1.206 1572 395.2832 395.2958@1.1274 2626 2425 3419 1370 2130 395.2958 395.3004@1.1556667 1286 1167 2130 395.3004 395.3046@5.496 5332 395.3046 395.3052@5.5041356 2690 2752 5058 4528 3553 2763 5288 5131 3480 3834 3876 4590 3574 3360 1955 7287 7729 3911 7182 6582 9539 7740 395.3052 395.311@1.1313334 2144 1926 2402 1510 2168 1455 395.311 395.3191@1.2006667 2572 2626 2118 395.3191 395.326@1.203 1242 395.326 395.3411@1.203 4206 4043 395.3411 396.1183@5.8025 1343 3416 396.1183 C23 H16 N4 O3 1993 1818 1328 1934 1681 2096 2003 1786 1850 1743 1866 4472 4296 1605 1576 6096 6242 1972 1796 5262 5116 5747 5348 3839 4154 2461 2284 2190 2138 2093 2601 5275 5326 1725 1736 3154 3257 3549 3298 3938 4695 4578 4295 4507 6608 6698 4269 4014 1734 1771 1585 4366 4506 2451 2247 3122 3332 2615 3250 3197 3522 4506 4701 3828 3563 4160 3150 3413 5511 5121 5173 5761 5881 3400 3303 3088 2699 2825 3368 396.1235 C12 H16 N10 O6 1799 1719 1899 2053 1649 1575 1547 1730 1823 2135 4407 4128 1426 1481 4673 4279 3898 4040 3279 3369 3998 3470 1377 2699 2566 2678 2352 1769 1785 4281 4345 2116 2117 3188 2705 3303 3377 2964 3831 2647 3359 3846 3715 4937 4859 3643 3108 2557 3044 1741 1495 3735 4004 2595 2571 2853 2629 2139 2348 3024 2805 3041 2891 3278 3019 2853 2562 3107 4222 4716 4927 5781 5325 4630 3808 2445 2324 2525 2164 396.1254 396.1254@1.2005 5606 6431 396.1254 396.1557@1.6357273 8240 14728 4322 3265 15300 12741 4626 5657 6653 6583 10977 396.1557 396.1564@1.7623333 8583 3476 20019 396.1564 396.1646@0.89266664 9096 9479 8949 396.1646 396.1925@1.024 1242 396.1925 396.1984@1.0842197 3433 8842 9135 2265 6797 7470 9076 11604 11421 6227 2240 8371 1915 3826 3617 4097 13831 12566 6454 6323 4302 1727 2930 6427 8552 6224 2598 2389 3551 3573 4896 5344 7680 6597 5100 3407 1864 4402 6800 3533 9062 396.1984 396.1987@1.0455 4451 3556 1984 6235 396.1987 396.199@1.1913334 1676 3432 5919 396.199 396.205@1.043 4117 396.205 396.2091@1.2019262 2924 3339 4280 4159 9554 10420 3743 2141 2447 3056 4703 1639 1768 1373 2863 2548 2141 1843 2021 4546 6025 3438 2794 3726 4840 2298 6661 396.2091 396.2177@2.727 10746 11507 396.2177 396.2184@2.085 6416 396.2184 396.2607@1.0355 4036 4483 396.2607 396.2667@5.64 4109 3820 3596 4147 396.2667 396.269@1.0363158 94831 96195 18969 20768 66443 65482 1996 11414 9503 21614 20705 46590 50903 75794 77304 66760 73018 12789 19396 11813 11354 18608 15755 43366 39895 54913 54128 22915 26398 52131 44936 16777 16290 17098 17747 17777 17713 1894 396.269 396.2804@1.134 18864 396.2804 PGF2alpha isopropyl ester 18043 33111 13815 16032 26549 21967 14644 25850 22101 2638 9002 31171 205767 17122 17066 30217 30632 28289 10784 89116 9983 9336 12157 24322 10794 18989 21014 27130 28732 14124 26716 48484 47301 8457 10495 18434 46884 44653 22608 35765 16193 15768 16193 28990 286427 272115 28161 50154 47632 36443 38810 3048 26419 24717 28197 30178 29750 12549 4010 16766 20196 18032 24209 24532 23589 22213 23539 26016 25256 29020 45635 41897 26636 19261 LMFA03010076 396.2883 396.2902@1.0963334 59600 2246 18564 396.2902 396.2987@1.1951109 3834 8310 5272 2796 3375 6235 4371 4016 6917 7888 4997 8294 9470 9873 5980 6098 7175 9774 396.2987 C22 H40 N2 O4 6941 4812 7473 6401 3668 9506 5893 8245 8995 6512 6472 5021 4320 8701 5956 2587 3771 58137 56401 4062 5769 8336 4898 4347 6560 5320 10796 10744 8644 10246 6013 9717 4361 10522 11167 7674 6799 6285 7182 9994 10186 3337 8195 5808 4944 8507 6939 8273 5736 5555 3161 7933 6941 7235 9782 7864 5557 6573 6139 10000 10300 9926 4769 4573 10015 9432 8353 396.301 396.3045@0.92199993 3512 27888 29956 2742 4178 4080 3940 3299 3050 396.3045 396.3326@1.038 2081 2040 396.3326 396.3486@1.036 2140 1821 1442 396.3486 396.3587@1.0353333 1285 2306 7990 396.3587 397.0492@0.9076842 2946 3567 9374 9663 10035 10645 10548 10812 29488 28788 1975 2879 3162 2574 3221 2931 8710 8920 397.0492 397.1254@0.796 6090 5958 397.1254 397.1544@0.7454001 3698 2223 4607 4589 4423 397.1544 397.1595@2.052 3605 397.1595 397.1598@0.751 2842 397.1598 397.2156@1.213 2060 397.2156 397.2784@1.1546668 2939 2425 3149 397.2784 397.2852@1.1163 3342 4276 1999 2731 3669 4725 3969 3255 3032 6834 397.2852 397.2868@1.1722858 3726 4902 6586 3439 4598 2815 6686 4069 9051 3512 5128 2507 7288 4542 397.2868 397.298@1.1993333 3094 2360 3786 397.298 397.3192@5.4428754 4768 6950 6131 2974 2774 3041 20294 20004 397.3192 C24 H39 N5 12885 12835 10443 14845 11210 8708 9090 2695 6674 7546 11294 15959 12887 11367 4542 4914 11839 11502 20348 18922 5228 5513 10846 10698 7589 7539 5403 5282 4332 13637 16341 10613 9454 8876 10230 5287 5715 14667 14947 4826 5797 6645 6759 15894 16705 10417 9406 4394 3790 10107 12785 10250 10240 7042 6298 9774 9830 14027 13254 13368 13183 7510 7441 7187 6559 8548 8846 11746 9394 10390 11087 3725 8121 8403 20950 25183 19350 10938 12884 8293 6893 5775 7304 7292 9313 6858 9965 9982 4010 5541 397.3219 397.3369@4.0815 8845 9102 397.3369 398.1197@6.8075 6964 7092 398.1197 398.1198@2.792 2521 8809 398.1198 398.142@1.2065 4725 4130 13604 12577 398.142 398.1452@1.525 3744 398.1452 398.1591@1.26175 1804 2009 8166 9078 398.1591 398.1721@1.2171249 5779 2116 8987 9583 5600 5110 2459 6099 398.1721 398.1767@1.372 5234 398.1767 398.1821@6.8710003 87293 88150 398.1821 398.1866@1.21 3736 398.1866 398.1928@1.1153501 2651 4937 3759 3015 3599 2148 2975 3178 2078 3489 2291 2756 2169 3541 2510 2076 2047 2382 2737 2688 398.1928 398.2026@1.1073333 4869 2704 1506 398.2026 398.2205@1.2068334 2795 2306 3276 3139 3793 2800 398.2205 398.2248@1.211 1667 398.2248 398.232@1.209 3261 398.232 398.2374@0.88100004 49815 400844 398.2374 398.2469@1.077 49353 398.2469 C25 H35 Cl N2 194114 147650 31779 36012 5804 9047 8629 4934 10357 8149 8781 5165 41084 41417 6902 6721 10316 30822 31421 13909 12550 4730 19376 17662 47816 46234 9176 28800 28994 7303 7971 9483 9279 7457 8626 11297 18561 15508 7270 398.2471 C24 H34 N2 O3 3103 7030 3615 9632 7789 7189 8135 9980 3622 4069 4845 3891 4835 4795 5360 2662 4231 2273 8441 5411 6657 6882 6940 10531 2005 6863 15132 6491 4088 10362 5584 2807 6639 7155 398.2553 398.2693@1.0921538 2782 5064 5191 6146 10352 4334 5097 1608 3243 5354 3502 6655 2778 398.2693 398.2764@1.1505 2516 2621 398.2764 398.2767@1.0547334 11162 8652 1776 2292 2031 3178 2874 2280 4403 1383 2368 4661 2422 1802 2353 398.2767 398.2834@1.1315 3723 1951 1434 3694 3813 2875 1868 2391 3038 4807 1960 2763 398.2834 398.2847@1.047 2031 398.2847 398.296@1.1186666 2614 4782 4603 398.296 398.3036@1.0905 4523 3224 5833 1776 1771 2195 398.3036 398.3212@1.136 190237 187900 2409 398.3212 398.3528@5.1175 34621 34731 398.3528 398.9601@0.722 2073 398.9601 C12 H12 Cl3 N3 O4 S 1917 2002 1787 2063 2023 2131 2137 1806 2108 1779 1901 2210 1630 1995 1655 1629 2098 2413 2348 1761 2477 2369 1802 1684 1908 1849 2094 2044 1950 1392 2212 2207 1736 2439 2552 1984 2011 398.9619 399.0943@1.207 5114 5142 399.0943 399.1037@1.4239999 2658 2828 3571 3271 3684 3610 4034 399.1037 399.1174@2.9789999 8667 8325 6260 5868 3685 399.1174 399.1216@0.8305 4786 5304 399.1216 399.19@3.013 5129 5817 399.19 399.2027@1.231 4720 399.2027 399.208@0.73249996 2148 2597 399.208 399.2556@1.104 2184 399.2556 399.2695@1.0528333 6131 3328 5128 3441 2581 2968 399.2695 399.2748@1.131 4942 399.2748 399.282@1.1428889 6740 3746 6560 5882 2658 7830 7326 5251 10436 399.282 399.2861@1.1442221 5767 5182 7092 3978 6952 6135 7203 3394 2594 4685 3641 3334 2831 2769 6023 6201 4470 9023 399.2861 399.2974@1.153 2592 5362 5308 3450 399.2974 399.3027@1.0905 6974 9269 5391 6410 399.3027 C24 H41 N5 31674 9407 26057 25394 28266 28256 34847 35575 18887 19794 25203 24222 30428 32180 17762 14807 24816 26958 42510 40714 16431 15793 14253 14907 31607 26160 10658 14782 20329 25587 38393 38826 20751 20356 36228 37272 15050 12653 33688 34833 22804 23183 23382 22994 42685 33861 32661 26837 20346 26106 26433 24254 21847 21290 17152 15483 21265 22633 32036 35155 32091 32049 23437 23088 26187 26273 30579 28929 42962 40998 27992 25398 14334 16932 27495 25694 31102 36217 31540 30905 31671 20743 25371 19739 16886 23387 24269 18848 51805 49566 17740 17569 399.3377 399.3381@5.404 23245 399.3381 399.373@4.049 6615 7785 399.373 400.0012@5.50724 1685 1253 1725 1874 1377 1249 1455 1308 1598 1370 1386 1775 1566 1211 1380 1317 1109 1195 1305 1273 1425 1754 1689 1252 1372 400.0012 400.0453@0.849 9728 400.0453 400.149@4.2215004 150193 155140 400.149 400.1491@4.157 5210 9002 400.1491 400.2142@1.059 32445 32600 400.2142 400.2239@3.9181542 5187 5333 14583 15283 6784 6976 14842 13716 18488 17877 7164 7088 7971 7919 9724 8886 12643 12963 16935 18060 13599 13160 15733 15434 8520 8264 400.2239 400.2262@1.086 9399 5216 400.2262 400.2325@1.111 4417 400.2325 400.2432@1.1005555 4354 7774 2246 3364 6846 2893 3304 2335 1665 400.2432 400.247@1.0879999 4104 3130 4416 4623 400.247 400.2539@1.0813636 1676 5645 2900 3420 7271 7080 4649 2475 5176 8303 8667 400.2539 400.2568@1.134 2689 400.2568 Ophiobolin A 11744 11222 7597 13857 13399 3120 11822 11676 11630 11644 4365 8992 8462 24535 6275 52916 52835 9210 9209 18563 17867 14727 15390 21766 22155 7602 7238 8919 4379 22318 21316 10592 11077 16015 16178 14519 5570 17651 17630 7999 8485 16740 16496 27580 25582 10713 10963 9627 11690 13223 14029 11873 11704 9759 11439 24835 21588 10188 9671 14191 13629 8412 8079 14726 14283 9563 9388 10295 9596 9058 12376 11703 7527 3939 7637 17104 14503 8610 9793 9256 9055 7817 12347 10227 14353 13457 6921 6254 C09145 LMPR01050002 400.2592 400.2598@5.2791 3464 2350 2852 4640 4712 5664 4605 4154 4610 3552 3844 3510 3001 8920 4396 4362 2462 3970 2768 2686 400.2598 400.2613@5.3925 17910 6763 400.2613 400.2622@1.0742 4725 1766 5946 3060 5832 400.2622 400.2798@1.0625 16100 10535 3465 2595 400.2798 400.2863@1.12 1914 400.2863 400.2954@1.0487143 10928 14536 1822 1443 1908 5897 5194 400.2954 400.3097@1.0728 4738 6463 4976 4661 7531 3563 8656 4352 7474 9262 6620 6381 5196 4110 6051 7663 5784 6257 9801 7653 5552 4389 6853 3926 400.3097 1,2-Didecanoyl-glycerol (10:0) 3170 3988 8510 7510 7083 5072 6426 8846 5406 9925 9973 7708 3203 8025 5466 6803 6227 3905 6457 6697 4224 5366 7326 6710 8669 5993 4462 5666 8795 8280 7511 7345 3420 8452 8421 7597 6812 4839 4500 8417 7647 5043 9842 10000 9096 11147 400.3116 400.3232@1.083 2124 7851 400.3232 400.3326@1.0672 14593 13989 11667 7483 11149 400.3326 400.3432@5.3075 10975 10827 400.3432 400.7605@5.3835115 4695 4820 4590 4269 8151 8139 19621 17868 6025 5182 4555 4841 6930 7323 3764 6957 6936 3670 4312 5543 5600 4382 5130 6746 1997 4970 6493 8806 9682 4507 4183 3921 3998 8759 8189 4914 4729 5228 5848 4815 4406 4446 4532 400.7605 400.7668@5.1377816 11448 10998 12023 11064 10325 10318 9285 9549 10074 10598 10279 6612 9978 10034 9849 10482 10724 9586 8799 9091 11251 10685 10352 10333 9345 6167 10773 10243 10926 11098 10829 11122 10914 10785 10128 10862 10931 9869 10754 10845 11822 10718 11457 7412 12495 11175 10076 11061 7694 9754 10930 11505 11630 10115 10288 11279 10084 10098 12712 6456 10742 10718 9739 7654 10331 10728 10087 10273 11153 10282 9503 7041 9698 10776 12060 8757 10564 14801 10920 9651 11625 10800 10014 10702 10170 10685 7872 8868 8021 8375 9274 9523 400.7668 401.0974@1.072 3362 3457 401.0974 401.1421@4.2764997 3032 3091 401.1421 401.1509@0.80149996 5273 5261 401.1509 C18 H35 N5 O S2 6445 6586 7425 6850 7878 7728 8155 7181 6482 6477 6012 5976 4160 4017 8240 8080 6999 6833 10377 10924 4845 5835 19455 19805 6991 6950 6850 6987 7522 6658 15475 15388 12798 12342 7163 6784 6003 6279 3796 4529 24368 24233 9112 9075 6178 6321 5204 5882 7586 7127 8486 8317 10672 10944 15010 14657 5828 5549 7668 8322 4970 4728 7317 6757 14285 13389 26357 7009 6879 6153 5771 5962 9590 6790 6452 5949 7690 7913 12553 11882 12818 13784 7734 7579 401.2293 401.2496@0.885 6382 5781 401.2496 401.255@1.205 3770 3795 4423 4094 3082 2842 2835 3202 5319 401.255 401.257@1.205 2911 401.257 C24 H36 Cl N3 24214 21542 44822 25767 22850 25929 17225 15608 28030 3064 44090 38192 33665 34285 4448 4434 18930 17655 10253 10468 27963 29041 13664 16055 22378 27593 31020 31372 39091 29070 10158 16246 20520 16945 8613 6571 15041 8826 17380 15886 72479 70304 36186 34962 13461 14555 19885 16978 11433 10502 9673 28679 19753 17043 28870 29250 35214 35421 23317 23819 12548 12190 21368 21005 8355 11683 24540 33005 21760 20951 27355 26987 22956 6461 22690 13131 17301 16502 14881 19430 18274 24319 13402 32834 34738 401.2596 401.2606@1.1973001 2940 2418 3763 3254 2821 2761 5649 5408 5960 3929 3480 10258 10224 4288 3040 2306 3356 3059 3393 1638 401.2606 401.2662@2.563 10834 6522 401.2662 C23 H35 N3 O3 5091 4546 5069 4833 4596 3883 5187 3869 3724 4092 4354 4242 4304 4698 4062 4232 4807 4616 4821 4330 4896 4863 5006 4612 4809 4827 4422 4663 4319 4300 4855 4007 5130 4688 4601 4258 4594 3385 5781 4674 4075 4117 4458 4611 4494 4026 5190 4863 4881 4316 4536 4632 4612 4769 5044 4220 4167 3561 4111 4832 5092 6870 5159 4846 4739 5553 4306 3581 3976 4581 4819 401.2681 401.2799@6.492 3773 401.2799 401.2813@6.399636 2492 3770 3850 3000 2125 3257 12310 14086 2155 4952 4665 401.2813 401.2978@4.0860715 8719 8660 5173 5341 8075 7914 8373 8178 5134 5181 4427 3306 5609 5567 401.2978 401.3531@4.1513333 11436 11384 4836 5707 8100 8228 5174 15523 15770 401.3531 401.3973@6.056 1845 401.3973 401.4656@6.0735 3931 3911 401.4656 401.7748@5.1305 4147 5362 401.7748 401.8315@6.07 5220 401.8315 401.8785@6.064 5568 401.8785 401.9556@6.086 2129 401.9556 402.0825@2.982 4889 402.0825 402.0827@3.01424 7819 7342 7081 7313 6968 6833 6689 6991 8287 14800 10014 9965 8161 12497 14309 13170 10326 8859 9506 6313 9285 13368 14598 16169 17766 402.0827 C13 H14 N12 O4 2592 2582 3055 3035 2480 2641 1993 2664 2553 2114 2089 2265 2196 2393 1838 1743 3239 2919 2478 2583 2950 2699 2647 2895 1808 2012 1712 2222 2288 1954 1812 2740 2456 2328 2308 2367 2437 3077 3001 3037 3586 2467 2447 2200 2333 2939 3028 2682 2611 2014 2096 1680 1972 2275 2608 1900 2820 2557 2506 2754 3255 2998 3469 2276 2924 3339 3496 3039 2571 2873 2530 2398 2785 2707 2948 3066 402.1256 402.1855@4.681 4525 402.1855 402.2251@1.1445 2193 3124 402.2251 402.2343@1.1313334 1969 3542 402.2343 402.2473@1.1286666 5274 10460 1500 402.2473 402.2532@1.157077 15277 14112 19640 3696 4478 4590 5758 4392 4104 4810 3254 2347 10943 402.2532 402.2543@2.3144999 65194 64984 402.2543 402.2653@1.1351429 7571 5441 4404 9571 4543 4361 4207 402.2653 402.2695@1.197 3612 1892 7066 4202 3713 402.2695 402.2882@1.222 3375 402.2882 402.2939@1.0685 1761 3501 402.2939 402.2959@2.0346 5496 5799 4723 10333 10916 402.2959 402.2993@2.06 2893 5014 402.2993 402.3114@1.02 4088 2861 402.3114 402.3206@1.0425 23391 402.3206 402.329@1.0668334 6136 5525 4209 5466 7401 2149 402.329 402.3441@1.0595074 5750 7716 9616 7519 7657 10880 10098 11791 11413 11151 25393 13764 5590 13905 16102 17133 14647 17628 13365 13929 15305 16474 7239 7023 8186 8315 6980 7463 16816 18100 4586 13704 13733 10439 10707 4620 6292 6390 6895 8190 12585 7862 7695 11455 15070 10548 10327 2208 7874 17156 16800 2199 14340 10186 13741 10106 11165 2018 9037 9945 14620 21445 6956 7304 5344 5598 402.3441 402.3464@1.0545555 15712 20265 29682 30126 19156 20302 5852 8789 9131 17984 18648 13495 18277 17217 9701 15232 24556 24691 402.3464 402.4715@6.069 6845 402.4715 402.7359@5.387 4835 4754 402.7359 402.741@6.07 3619 402.741 402.7617@6.065 2639 402.7617 402.8485@6.072 3309 402.8485 402.993@6.069 1988 402.993 403.0063@5.7178 1895 1958 2630 2632 4127 403.0063 403.086@0.8201501 4311 4239 12996 12841 3753 3724 2334 2427 4886 4735 5298 4919 4219 3808 3572 3964 3119 3070 2556 2667 403.086 403.1229@1.2205 11893 10808 403.1229 403.2064@0.98885715 5165 5384 4018 6290 5820 4967 5226 403.2064 403.2538@1.1853334 2113 4385 3582 403.2538 403.2646@1.128 4247 403.2646 403.2728@1.2 3577 403.2728 403.2818@1.1309286 4190 4006 3983 8370 3755 2734 4494 4264 4301 4277 4257 4089 4681 3136 403.2818 403.2852@1.126 4979 403.2852 403.2949@1.44075 4461 4066 12203 11434 403.2949 C22 H45 N O S2 30941 23986 20723 23801 29631 26015 22931 17452 21178 25910 28899 25163 12483 9465 22458 14795 30688 25627 2176 1311 26629 27555 22529 32334 19389 14050 31091 27536 23558 23788 16824 17149 25295 25770 25382 27028 31060 30777 26877 24865 31011 30794 18031 22595 9145 22097 13036 21632 25776 24463 25978 24296 13532 28995 26356 26144 26178 19447 20215 403.2954 403.2994@1.121 14375 403.2994 403.3544@1.0591428 4317 2808 4474 3938 5721 3236 4400 403.3544 403.357@1.0589999 4155 4830 5493 3096 4335 5663 5092 4363 4466 5820 5182 5587 403.357 404.0678@0.84580004 9571 5651 2951 8021 8324 404.0678 C17 H16 N4 O8 2529 2090 2955 2501 4632 4999 6233 6830 5026 4706 1510 6149 5821 2121 1666 1217 6768 7089 2072 1771 7823 7954 1934 1870 1632 1831 3090 4067 1507 1779 1351 1352 1749 1691 3870 3837 3133 3291 1463 1808 1480 1359 3765 3540 3710 4133 4432 4739 2392 2471 2100 1355 2107 1928 1995 2986 2726 2978 4302 4052 404.0963 404.1357@1.206 2297 2427 1970 404.1357 404.1579@1.1070001 3232 2732 3645 3262 4811 404.1579 404.2171@1.0552499 6559 6704 10614 12424 404.2171 404.2518@1.0444286 5293 5529 4395 3162 4514 4968 404.2518 404.2676@1.0215 1273 1541 404.2676 404.2689@1.1333333 2870 1394 3626 5863 4089 5990 21738 10286 5490 2750 3783 8930 4432 10211 2594 3955 1178 3335 2130 3655 3343 2062 3474 7536 404.2689 404.2737@1.1353999 3327 6097 5815 12934 3068 4862 9257 5081 4040 9935 404.2737 404.2862@1.1513333 8673 17172 3472 1862 5467 2623 2438 5468 5451 404.2862 404.2996@1.192 1817 404.2996 404.3129@1.195 3884 404.3129 404.3496@1.064 10080 20122 5927 404.3496 C22 H49 Cl N4 12461 13660 32746 31520 35223 39445 17728 17980 40161 37438 23696 45743 41255 35262 43835 43492 21985 45618 25878 40425 25870 25782 20626 15121 34601 34216 45390 26865 18025 17052 18914 18855 12868 12270 26259 32292 24027 32523 9561 27243 25204 52659 21634 26856 38959 40004 12517 11917 14853 13799 19268 42885 42990 22454 24192 19216 19483 24740 25416 20018 20042 21311 22433 54463 51064 31153 31666 20260 19706 16299 17984 61867 30916 61926 28235 38174 37695 39604 37144 18214 18596 20698 23171 25805 26957 13061 12191 404.3615 405.0209@0.7305 62030 60500 405.0209 405.1189@1.8983334 5274 11864 11147 405.1189 405.1193@1.74675 6919 7226 12647 11079 405.1193 405.2054@1.091 4898 4809 405.2054 C26 H31 N O3 3633 3489 2861 4904 5380 3745 3904 7444 7920 4435 4600 3654 3249 4164 4397 4226 4026 5191 4802 2660 4865 4112 6082 6410 3221 3652 3100 3702 3691 2867 6048 8626 6601 3262 4258 5086 4548 4911 5153 21378 8192 8149 7616 3452 3589 405.2307 405.2645@1.0226667 3162 5977 11751 6895 2442 1664 405.2645 405.2842@1.1583637 4358 7333 8322 5986 4164 1939 2978 2613 2900 3280 12929 405.2842 405.2871@1.1462858 5069 4172 4530 3092 11929 5342 6736 405.2871 405.2887@1.201 8700 405.2887 405.2907@3.9 10257 9946 405.2907 405.2976@1.1075001 2690 4745 405.2976 405.3287@1.058 3364 405.3287 405.3448@1.051 3762 405.3448 406.0669@2.212 98336 104495 406.0669 406.1324@4.3555 7305 7922 406.1324 406.1854@6.077 3231 3385 2535 3050 4339 406.1854 406.236@6.5915 1999 2446 5102 5063 406.236 406.2503@1.208 4717 406.2503 406.2646@1.208 6277 6382 406.2646 406.276@1.1888002 2378 4027 3118 3107 4198 3556 69142 66225 2370 4109 2992 2121 4733 3288 7083 406.276 C18 H39 Cl N6 O2 7736 7943 7819 5037 6851 7321 6589 6523 6738 6577 9166 5463 4517 8593 8672 10645 9478 5374 23387 25436 7061 7373 5382 11725 11448 7205 6475 4727 4087 6484 9994 3172 7445 12972 4261 6590 3746 4361 6706 7599 7219 7592 10090 7528 6533 1239 29123 8509 8744 7536 6567 6372 7909 10596 5626 5827 6300 6777 12843 4069 4012 7978 7060 406.2816 406.2865@1.121 7020 3068 3535 7816 6877 7119 406.2865 406.2874@1.0991819 6200 6496 7366 10908 9716 6245 6052 6134 9911 9098 1927 406.2874 406.304@1.103 3846 406.304 406.3197@1.0865 5626 4857 4975 4732 2086 3954 406.3197 406.3258@1.0534166 5582 4901 8544 14874 7433 5075 4651 4140 4035 8309 5600 6448 406.3258 406.3355@1.0515217 3109 9746 9408 7112 7437 13271 8042 4799 5959 3677 9269 7521 6942 5782 7062 7123 6907 7757 5299 2989 6371 4671 4660 406.3355 406.3453@1.0504 13624 5524 9604 6220 3191 5038 4037 7257 8731 7015 8705 4689 1834 17764 7734 406.3453 406.3543@1.05 6589 406.3543 406.37@1.048 14488 406.37 406.965@0.811 3126 406.965 407.0832@1.0555 3148 3960 407.0832 407.1096@1.1104001 7535 7518 4861 4610 10442 11301 10334 2483 2917 407.1096 407.1275@0.87900007 7847 7979 10883 10434 3254 3045 6221 6236 3348 11630 11366 2635 2775 4225 4821 5221 5168 4305 6655 5990 407.1275 407.1417@0.73652 9550 9425 1933 3031 2940 1551 7769 7764 3653 6984 6501 2740 2778 6491 7771 4234 3303 4480 3563 3140 7378 4582 3563 3212 407.1417 407.1792@1.0910001 2536 2635 407.1792 C26 H25 N5 4484 4681 13001 11339 6588 5389 1823 4709 6535 7078 8846 5513 2068 2486 4753 4674 9953 2457 2311 2604 4038 9746 10393 2788 8626 8782 14175 14782 2827 2943 6348 2425 2408 7761 8562 10990 8995 3475 2606 2550 2604 12465 9596 7902 5220 20994 21378 24470 21881 407.2129 407.2138@1.1893001 3854 3148 6353 4918 6417 5483 5897 11651 3375 2551 407.2138 407.2212@2.0245 26066 33565 407.2212 407.2227@1.927 27190 24648 407.2227 407.2267@2.1104999 58488 71104 407.2267 407.2452@5.582308 6880 12689 9509 3673 5184 5476 6111 2270 4865 6227 2103 4891 7096 407.2452 407.246@4.977 3220 3864 407.246 C21 H34 Cl N5 O 8493 8946 6085 9288 7278 6334 7154 6509 13023 11959 15336 8364 9607 18642 6693 4657 6453 8313 7766 6782 2084 11905 7950 6197 12094 4581 11395 7383 16264 16212 4730 6873 11291 16779 7506 10474 10657 11899 10659 3927 14576 15894 5568 7071 9712 5159 4792 5571 12924 8304 8268 8081 15321 14853 14247 12515 12025 10917 10228 10353 13794 13993 10118 3425 23904 21639 5300 7079 407.2464 407.248@6.784833 3310 3401 4707 5128 2780 2462 2653 3110 2396 4252 3994 2961 3012 1843 2013 2330 4192 4110 1958 2578 3373 3398 2361 2804 2516 2643 2011 2210 2486 2338 407.248 407.2565@1.1194999 1622 1773 407.2565 407.2634@1.036 1751 407.2634 407.2777@1.0346 2916 3174 1159 17051 33831 28771 23604 2797 31239 2262 407.2777 407.2791@1.1184999 2533 3268 2197 21559 23794 33718 407.2791 407.2901@1.20625 8132 6238 1958 1956 407.2901 407.2924@1.0367501 18882 10982 2132 3226 407.2924 407.3008@1.1623334 3090 5661 9200 5526 12319 12994 15548 2792 5793 9825 5286 5452 2577 4552 4827 5037 2525 11696 9556 4397 18827 5903 3624 2637 5970 9322 8893 7450 4923 18867 12402 44845 13264 407.3008 C25 H37 N5 19151 20512 33324 30680 10189 8952 17824 31982 10309 11639 12381 11824 11204 10639 6634 6841 8912 9420 11797 12386 6731 6099 8879 8748 13129 11041 6865 7050 6798 12963 12140 18354 11845 16986 17161 24383 25532 18765 18537 6997 7830 7489 7777 11816 11359 17052 11701 7231 6549 15244 15202 6541 8537 8755 8793 14986 9859 16046 15237 21022 22337 14656 15223 15824 16041 15264 14217 16519 15866 12608 12258 10168 9541 10201 13270 16074 27156 15430 8175 9782 9129 8611 7844 7509 7992 7720 17017 79115 77009 27236 19929 407.3028 C23 H47 Cl2 N 22188 23123 5580 6222 9410 7867 16291 18329 11060 11383 13228 14083 7424 3668 3247 15201 15882 6606 5722 3161 2601 3648 11749 9681 20395 20404 26682 23604 7892 7599 4254 2884 4062 20144 22556 9242 12550 18183 26723 26861 18149 18788 5803 6898 6766 6252 5498 7676 3100 41686 407.3052 407.3064@2.3743334 8201 7734 3847 8166 10741 7513 4329 5883 6166 407.3064 407.3185@1.1545 4980 4870 407.3185 407.3324@1.159 2584 407.3324 407.3416@1.0935 2802 1742 407.3416 407.362@1.117 2280 22398 17849 407.362 407.3638@0.916 83642 407.3638 407.3738@1.042 2685 407.3738 407.7496@6.79 2136 407.7496 408.0952@0.94675 6288 5938 5972 408.0952 408.1126@1.198 2799 2428 408.1126 408.1469@4.315 16341 408.1469 408.1671@1.13525 3747 3807 4014 2471 408.1671 408.172@1.1293 5155 1786 2733 8388 3260 3825 8386 8014 2776 3261 408.172 408.1787@3.5115 9361 8815 408.1787 408.1799@1.0359999 6044 3162 2612 9346 9466 5648 5674 3351 408.1799 408.2264@2.05 12004 408.2264 408.2301@2.131 14758 408.2301 408.2509@1.4467 8481 11236 5274 4516 4173 6413 5884 6500 11544 15002 7099 13226 11302 5336 6596 18582 25268 8210 9283 10111 408.2509 408.2512@1.5235001 8421 7847 25880 34157 408.2512 408.2575@1.123 12676 408.2575 408.2635@1.1246667 11209 9622 8645 9526 11175 4108 7801 12859 408.2635 408.2678@1.1297501 11064 1994 8360 6479 9263 15301 12589 13216 6271 6967 8473 11575 11740 9411 9691 9000 3559 7715 7903 12104 8418 10952 8771 5100 408.2678 408.2763@1.1327 2999 10965 11558 8389 5077 8194 28947 24109 12083 17530 15118 15527 18284 9506 14260 8462 7484 5091 16011 6985 408.2763 408.2781@5.2005 3749 4234 408.2781 408.2864@1.146 2311 2468 1734 12446 7747 7780 9193 14616 5921 3397 2408 12677 408.2864 408.2991@1.2045 2965 1632 408.2991 408.3025@1.1058438 14603 13621 8135 11643 22157 22145 4813 11708 12610 10786 57477 9094 7826 7451 12191 11246 9069 5784 10786 15636 11390 11661 10768 2647 9928 10979 4428 15670 22657 16959 16558 2393 408.3025 408.3081@1.0984061 21230 26932 16274 15605 22880 9419 22524 17856 7266 15374 11758 11032 2011 18605 13644 8240 9657 2656 1899 16166 18355 16735 4535 1438 13150 17971 25164 20998 11134 36847 23128 10705 408.3081 408.3142@1.1546249 5508 2298 3038 2213 12787 1330 5504 2216 408.3142 408.3232@1.1134 3106 2160 7508 2855 2459 408.3232 408.3324@1.1228077 5804 5844 3994 3600 4936 5712 2845 1892 2266 3251 1879 7768 3634 2702 2532 4976 2849 5811 2574 5046 6708 27831 4331 3774 11964 11235 408.3324 408.3335@1.044 2463 408.3335 408.3449@1.0392274 3260 1810 2370 2689 2136 4182 1574 2266 2597 3111 3138 4375 2805 2659 6390 2430 6813 8981 15680 9599 7138 1552 408.3449 408.3504@1.0955 3515 4615 408.3504 409.0854@0.92649996 3772 3386 409.0854 409.1266@1.143 2744 3084 409.1266 409.1542@0.7365 3146 3400 409.1542 409.2113@2.738 14068 409.2113 409.2352@1.209 12061 12052 409.2352 409.2529@1.171355 16010 3800 4366 4937 3340 3669 3261 4054 2031 3137 2632 2771 2759 3563 2249 2271 3326 3022 2797 3170 3160 3259 2017 2251 2022 3308 4370 4652 6071 10004 409.2529 409.2543@1.453 12005 409.2543 409.259@1.1665555 3014 2431 2524 4489 12449 2887 2530 1681 3820 2827 2052 2655 2352 2179 2292 4130 4200 1547 409.259 409.2603@5.592231 3609 3925 4190 4666 5192 3908 3714 4597 2481 3369 4419 3679 5835 409.2603 409.2707@1.1245 4564 7052 409.2707 409.2754@1.1095 3823 6074 4154 1751 3062 5691 409.2754 409.2862@6.2288337 3714 4535 4570 4403 2336 2556 409.2862 409.2904@1.063 10597 409.2904 409.2975@1.0476667 5490 1493 1526 409.2975 409.3082@1.068 7695 5780 409.3082 C20 H39 N7 O2 6744 6473 7389 7985 6771 6969 6475 9362 8245 6845 6466 4318 7871 6171 5658 8180 8117 6812 6272 8591 7979 6073 4555 6450 7028 3504 5430 6924 7648 7149 7457 6274 5865 5594 4161 4225 6731 5436 7680 6480 8004 7285 9898 6458 5664 10304 8049 8716 8499 7475 5806 4956 5746 9146 9308 7622 5657 409.3161 409.321@1.3173333 3863 4801 4715 8208 6012 18018 7987 7906 5412 4908 5737 4946 3420 4278 5932 5963 8560 6372 409.321 C25 H39 N5 50941 48127 9141 8075 6454 5947 36544 33838 17912 16817 18174 74168 74375 22691 24599 7035 7239 8007 13872 14100 201656 196049 86783 88850 8927 9710 3817 3526 4665 21027 20188 55980 59629 22400 23446 32613 32048 22842 21268 36858 37901 6485 8241 5999 8621 4559 4498 60649 60062 44590 42572 18890 19435 23667 25585 7687 7804 40914 41021 78545 79449 27448 27961 88467 82965 21370 5783 7160 2977 21861 19123 19564 18594 18100 10628 10803 12837 13407 8113 4259 409.3226 409.3299@1.169 29059 27795 2291 409.3299 C10 H4 Cl2 N4 S5 1407 1363 1384 1351 1342 1207 1355 1407 1515 1319 1292 1347 1372 1509 1387 1545 1235 1610 1491 1456 1305 1371 1429 1161 1333 1245 1347 1260 1354 1629 1283 1458 1270 1345 1316 1363 1587 1204 1191 1189 1377 1414 409.8407 410.0388@1.151 1503 410.0388 410.0455@1.498 2396 410.0455 410.0457@1.5131052 4906 6359 3358 2973 5350 6390 5595 5235 5047 4553 5013 4105 4018 4909 4945 4213 4928 5179 3911 410.0457 410.047@1.818 21319 410.047 410.0815@0.75820005 7337 6942 8599 7282 7271 410.0815 410.1528@2.5255 3295 2447 410.1528 410.2297@1.1342 9910 9688 6743 8127 7332 410.2297 410.2398@1.128 3025 410.2398 410.2729@1.1640002 4276 9899 12024 11200 3860 12500 2368 5705 4839 10066 9361 5550 5313 5225 7948 4664 9910 6636 3675 3380 8288 3831 2262 4552 4739 9575 410.2729 410.2757@1.1629333 2839 4724 9533 3156 4004 5811 4812 4226 2113 7335 4973 7367 7327 4552 7434 410.2757 410.2866@1.0397393 67117 70675 4234 7065 6338 6933 4360 5883 8537 11094 9739 23412 5572 6024 12966 10778 13551 13944 2770 5636 4742 3287 410.2866 410.2929@1.02 7065 410.2929 410.2956@1.1295 4057 4098 410.2956 410.3038@1.15245 2829 2563 6105 4854 4280 5580 10855 1481 1848 1172 14456 3170 2001 2119 1530 1816 4577 13502 15695 8779 410.3038 410.31@1.0759065 9385 12316 20540 21155 15874 16610 16875 3440 19967 34182 40281 4518 11166 22948 21773 6480 23192 11775 15328 15801 48375 25065 19801 8931 18735 21039 20156 9207 6540 16575 14662 9780 13615 15902 5789 11342 18045 7501 6803 17977 5333 14975 15723 16533 6350 15148 22468 15886 20003 7287 7687 8930 7204 15988 19231 9846 8933 15481 6595 9541 20223 14435 18133 6642 1673 23423 14642 2827 16043 20222 20378 3649 2684 6161 410.31 410.3183@1.0575 27686 3721 410.3183 410.3397@1.037 1159 1373 2182 410.3397 410.3537@1.0344 2170 1590 1743 2805 1666 410.3537 410.3567@1.0313333 3938 3922 3155 410.3567 410.3733@1.0322499 3794 7857 9360 7805 410.3733 411.0475@0.8485 32409 27614 411.0475 411.1151@2.983 11169 11854 411.1151 411.1151@3.045 2991 411.1151 411.1161@3.089 5051 411.1161 411.1723@0.7366316 1518 1891 2105 4708 4503 2035 2247 3039 7500 8131 3426 3468 1667 4748 4423 3295 2949 8287 8295 411.1723 411.2685@1.171 17784 5241 411.2685 411.2801@3.8049996 11679 10739 8848 9834 8572 9267 8593 8987 9247 7224 10802 11865 411.2801 411.2856@1.142 4920 2317 411.2856 411.2927@1.1362001 4266 4165 2566 2869 3773 411.2927 411.3003@5.93475 2472 2738 6494 5309 411.3003 411.3006@1.17 1879 5327 2433 411.3006 C24 H37 N5 O 8179 8506 6064 6279 8385 8302 5618 5608 4012 4431 5685 6285 8553 8074 2778 2257 7339 8017 10130 10843 7469 7081 6510 6251 6169 5741 5599 5397 4345 3585 9670 9770 6085 5903 3089 3291 3836 4273 9401 10110 4789 4253 3752 4088 12582 12567 4088 4120 3522 3077 4149 4198 6871 7261 7093 7338 8780 8593 11280 11154 6965 5139 7224 6065 4967 4168 5036 6345 6412 7806 7565 7291 2277 2327 6131 6671 16771 16414 7156 6811 6977 7550 6131 5434 6276 5409 6835 7241 9130 7366 4690 5899 411.3014 411.3167@1.075 1694 5223 3687 13502 3351 411.3167 411.3215@1.07 6015 411.3215 411.3246@1.0643158 2382 5085 4901 4580 4321 2794 4050 4042 3481 4453 9085 4502 4970 4607 9207 3253 11673 3431 3043 411.3246 411.3374@4.205 6137 5564 411.3374 412.0784@0.8675 5748 7265 412.0784 C21 H16 O9 2851 2893 2285 2681 2903 2757 2185 2190 2115 3471 3927 1833 1725 1677 2399 2371 2058 2555 2580 1776 3311 2634 2823 2697 1998 2330 2481 2106 2089 1763 2248 2550 2526 2226 2292 3344 3832 3135 1862 3540 3123 412.0789 412.087@1.516409 8375 8291 6457 7967 7205 6810 7381 6649 6791 6925 7210 6378 6085 5444 5721 5681 5948 4855 5025 8377 8636 8492 412.087 412.1204@1.221 3752 3694 412.1204 412.1954@1.0643333 9887 4677 4744 412.1954 412.2538@1.1745 3903 8887 412.2538 412.2614@1.1602633 8648 2854 6236 6297 11070 8939 9847 7049 5627 4533 9815 7512 13270 14270 6168 7562 4483 5075 15203 412.2614 C20 H44 O4 S2 18809 16817 14293 14114 2849 4625 4223 16773 16183 15291 12469 9449 8866 14847 14235 22132 20476 7181 4986 6413 7240 9462 9334 5413 6217 5864 5081 8176 9535 18045 17238 12172 12701 10873 10487 8694 15028 10953 12592 12697 12491 10879 10882 9107 7562 8627 8259 9104 7097 7790 12067 12444 6888 6686 9748 9208 18293 16867 8990 7179 12553 14579 7084 6419 12745 13549 30010 34481 10005 10690 10507 10166 8098 21668 8288 8803 14206 12855 12260 6391 5972 8404 8815 3751 15892 6529 6541 412.2648 412.2713@1.156579 4095 3022 4864 7674 9970 2332 7241 5144 4562 4791 8087 2058 11068 12422 3445 3158 8395 4731 8723 412.2713 412.2862@1.1705 3671 1749 412.2862 412.2982@1.1105908 12637 4895 16270 17938 1550 2997 4937 1681 2748 6800 4787 4102 2091 6147 3048 6065 5708 5291 4189 3305 5950 6563 412.2982 412.3081@1.0800713 5487 5333 5224 10440 4403 5744 3558 4850 6622 4937 9118 6529 3247 3536 412.3081 412.311@1.057 9402 412.311 412.3186@1.0173334 6130 8425 4101 412.3186 412.7665@5.048168 4603 5013 8569 5385 3711 3397 3802 2835 4922 5306 2761 2971 3034 2838 5200 8304 3615 3445 3292 3216 5034 8551 5199 4888 4500 4711 4168 4270 3582 3322 3514 3629 3177 4023 3386 3455 2738 7855 3760 2903 4106 4345 3238 3298 3339 5095 3324 3272 3145 3039 4917 4585 2907 2667 3061 3126 2760 2860 3597 3186 3066 3224 3252 3359 4089 3944 3920 3710 3245 3328 3073 3849 5206 4747 3022 4133 3173 3042 3151 3801 2944 3236 4307 4009 2665 2678 2391 3884 4317 412.7665 413.0584@0.834 3877 413.0584 413.1907@0.889 6767 413.1907 413.1958@1.1600001 2081 2320 413.1958 413.2372@1.0365 3018 1858 413.2372 413.2476@1.031 3165 413.2476 C16 H39 N5 O3 S2 2420 3612 3561 11417 7447 3694 10178 9648 4971 5700 4974 5270 4409 5418 6948 7050 3189 5236 5942 5712 4712 4917 2671 4312 5273 4134 4811 8562 10767 4555 3333 4118 3921 7500 8008 9655 10374 14934 16937 3378 3628 413.2481 413.2581@1.0902352 2530 3308 3074 1388 2712 3415 5282 3156 4384 4611 3122 3182 1938 1937 5964 4228 413.2581 413.2638@1.129 3743 2467 2810 2908 3083 2721 3221 3806 3087 2444 413.2638 413.27@5.0476665 2846 2729 2232 413.27 413.2774@1.0864 11516 12097 2709 3271 3581 413.2774 413.2854@5.0439997 4081 3453 2760 2989 413.2854 413.2924@2.0238888 4772 10883 7744 8122 10254 12114 2254 8170 7843 413.2924 C26 H39 N O3 22368 9136 13119 41100 28837 27799 10137 17922 76494 73637 19129 28560 78514 76950 18597 12800 49836 34996 10753 27457 57039 38971 49892 56864 10028 10465 46518 46893 41726 42635 37893 36831 23444 20406 37730 25030 37207 36410 27649 16553 41322 22012 30945 31403 55352 68058 20192 18497 38209 52679 28587 27936 34296 42443 38549 43825 34123 25923 62587 58280 82516 37942 48650 48451 38666 41569 15606 25603 102413 56748 76839 81776 32457 32134 37260 36034 47800 46162 56807 47423 41446 42855 42080 20074 24396 42224 40575 22328 19104 47353 42703 413.2939 413.2948@2.1151428 8612 6885 11332 12503 12297 11956 14434 413.2948 413.2955@4.9913573 3677 5655 3821 6031 4791 2388 3354 4540 4583 5464 3257 4983 8267 8405 413.2955 413.2957@2.3668847 18085 3986 12672 7471 6014 3044 17801 15953 7970 9335 10322 3948 12525 8998 16246 8192 12343 8116 3765 9493 42411 15277 15480 46662 10866 5228 413.2957 C23 H43 N O3 S 11094 11188 36283 36890 54941 56597 20464 20633 30285 30459 13408 12477 13236 13726 13336 13576 7925 7594 52070 51854 13697 13083 9860 9919 11306 10821 40989 40338 23798 22831 20275 21194 77483 79771 21544 20969 10446 11169 14429 14193 12357 11992 10434 10104 50271 49450 18898 19402 8178 8622 18381 17076 8031 7561 8880 8483 30124 29509 8318 8135 7035 5286 4286 4300 6264 5898 5851 6264 4402 3338 4378 21345 21931 45501 42149 44843 19615 18406 11955 11655 54219 50328 413.296 413.296@4.8467207 4766 4070 3525 4299 3667 4897 5222 5213 3871 3598 3521 6617 10999 11018 6445 6818 7276 7603 3729 4142 4307 5245 4581 5658 4757 413.296 413.2963@2.7534168 11018 11739 9914 9708 7329 5679 13165 12051 9505 9029 15002 14712 413.2963 413.2986@1.051 2162 413.2986 413.3073@6.13 3654 3658 3522 7069 413.3073 413.3082@1.054 2092 413.3082 C27 H43 N S 12595 12532 12018 21548 21008 14012 19304 2795 8066 7118 51346 159593 40810 31646 5982 7793 8317 2396 17416 13806 26140 25698 8177 19228 14299 9720 8775 14055 14978 15118 12193 14670 9051 8315 10146 8335 5278 6799 8873 9128 413.3145 413.3153@0.873 3576 413.3153 413.3165@6.1400647 3440 4283 4145 5479 5106 5798 5133 5192 5132 3383 7915 7633 5518 7091 4775 5235 6069 6041 3140 5753 5701 5955 6413 4461 4274 3952 8517 8493 4457 4029 7128 413.3165 413.317@1.127 46903 413.317 413.332@4.354375 4746 4341 3597 2628 4378 3358 5508 5095 3982 4406 5735 5948 6150 6069 6639 6116 413.332 413.3533@4.275 12251 11990 413.3533 413.3652@1.0285 13051 17705 413.3652 413.7756@5.0759397 3146 3521 2158 14177 10753 3438 2779 2853 3272 3271 3340 2346 16086 2258 2519 11377 3441 2427 3224 3596 2350 1968 9150 3139 11092 11969 3520 14677 3216 2677 2400 2903 2792 413.7756 413.796@5.088 43499 413.796 414.0856@5.8012314 1617 1276 1711 1733 1462 1689 1565 1721 1643 1219 2101 2173 1819 1518 1444 1808 1672 1417 1428 1581 1781 1994 1776 1960 1641 1474 414.0856 414.1151@4.603 3265 414.1151 414.1647@4.038 111709 117248 414.1647 414.208@1.1733333 6754 3084 234089 414.208 Lys His Met 1498289 1522321 2253129 2064930 873432 863397 2820063 2586496 2051030 2020019 783750 787337 801877 795355 1195885 1201983 830728 818377 714444 714162 1212239 1215743 1065398 1065986 503017 336668 871801 920261 869896 867016 1459841 1468216 1602406 1590320 1158314 1301582 2032902 2028890 1144903 1143039 1857259 1868760 972508 982054 1067883 1063894 1221998 1221532 1003137 998811 867241 863615 1345158 880007 1609237 1586643 962040 957481 1196623 1212856 937019 946467 2058206 2062424 1051865 1055049 852204 857630 1093652 1120326 1696268 1726731 1373626 1375491 1374634 1381961 1062871 613190 1064254 696262 697567 1058419 1027321 1003762 913567 910545 1074262 1058863 1403434 1373818 1048321 693042 414.2086 414.2143@1.215 6977 414.2143 414.2398@1.216 2305 3888 414.2398 C20 H30 N8 O2 60863 71624 68344 92356 82019 66830 75551 81892 150383 145971 422171 424614 197834 197665 70685 141220 139489 138654 138423 7674769 7614690 213530 210302 1786730 1770112 114699 113693 121543 123777 155318 157189 199397 199484 70555 65667 62212 61536 94793 207910 209557 143239 145052 109424 109888 183906 181861 90280 89314 77450 972744 927941 65651 66882 149793 142815 414.2494 414.2557@1.2095 7338 7891 1245 3576 1496 2110 414.2557 414.2644@1.2176666 3443 2320 4444 414.2644 414.2742@1.2114999 2079 2442 414.2742 414.2802@5.077 6688 414.2802 414.2803@1.2130625 1808 2454 3996 1863 2167 3791 10446 10256 3141 2300 2422 3088 7180 3538 3356 3003 414.2803 414.2914@1.1532857 4624 1762 1441 7915 2374 1919 4259 414.2914 414.2979@2.3055 4498 10479 8949 9226 414.2979 414.302@1.1327142 10029 10760 8002 6730 6974 6014 3556 414.302 414.3151@1.039 4992 414.3151 C13 H34 N16 3416 6624 6500 4836 7894 10166 4491 5137 7528 3469 4742 48027 46563 23105 6263 7815 3375 5842 10049 4559 2661 11844 10697 8810 8411 7471 4958 7168 11479 8526 4545 7251 5616 8050 8031 4082 7672 4109 5990 10032 6794 5583 5308 7846 4849 414.3187 414.3208@1.1564286 9267 6798 4356 3163 4025 10993 4928 7831 6925 7448 4505 6030 4267 5433 414.3208 414.3296@1.0816363 2906 13983 9201 7953 2782 8401 11584 2419 6656 1216 8063 7655 7666 22319 17307 48771 24133 2845 3768 1546 2945 6526 414.3296 414.3357@1.0416666 10950 2163 4402 414.3357 414.348@1.035 8542 414.348 414.3602@1.043 5727 414.3602 414.4442@1.1023823 2872 3631 2538 6308 4661 4182 3284 3038 4701 2874 3213 2618 5881 6447 3571 4191 7442 9279 5634 4324 6640 2665 2742 5677 4775 6499 3294 3282 7556 5308 2640 2935 3424 414.4442 414.4519@1.104 4422 414.4519 414.6319@1.095 9736 414.6319 414.6432@1.092 4512 414.6432 414.7093@1.067 1445 414.7093 414.7312@1.102 3879 414.7312 414.7416@1.1013333 1097 2747 2314 414.7416 414.7528@1.11 2114 414.7528 414.756@1.078 3093 414.756 414.7713@1.086 4506 414.7713 C10 Cl3 N O3 S4 2466 2425 2776 2414 2199 2538 3017 2597 2462 3448 3396 2254 3659 3578 2379 2844 3202 3283 2134 2404 2910 2465 2846 2460 2160 3204 2059 2142 2469 2219 2736 2606 3164 3452 2186 2641 2834 3604 2699 2221 2401 2308 3201 3009 2754 2884 2417 1851 2124 2455 2295 2606 3281 3771 414.7819 414.816@1.078 2530 414.816 414.8654@1.0883332 3934 3264 2198 414.8654 414.8674@1.088 7431 414.8674 414.8731@1.0999999 2271 4243 414.8731 414.9142@1.0715001 2293 2419 414.9142 414.9318@1.1 5096 414.9318 414.9356@1.0775 4519 2647 414.9356 414.9415@1.081 3281 414.9415 414.9827@1.106 1413 414.9827 415.005@1.081 3236 415.005 415.0177@1.102 2227 2723 415.0177 415.0976@1.563 7526 8242 2672 2837 415.0976 415.1128@1.0534999 6220 6958 415.1128 415.1134@2.013 2638 415.1134 415.1686@4.018 5741 415.1686 415.1876@4.4705 6653 6165 415.1876 415.2087@6.8595 20451 20098 3810 3773 415.2087 415.2162@1.168 7419 415.2162 415.2351@1.204 2678 2423 415.2351 415.2541@1.201 1820 2577 415.2541 415.2601@6.682 9161 9454 415.2601 415.2616@1.2 2291 415.2616 415.2638@0.8842 2521 3409 4016 4149 349848 415.2638 415.2681@1.2014999 2160 1941 415.2681 415.2801@3.511 5547 415.2801 415.2811@1.1387779 1903 5072 2117 1687 9283 1848 1452 7734 2227 415.2811 415.287@1.0826668 2007 1801 1416 415.287 415.2963@5.884 3085 415.2963 415.2983@6.0785 3807 4363 415.2983 415.3059@2.023 2929 415.3059 415.3064@2.0509999 9703 11368 8997 8797 7203 4019 415.3064 415.3107@3.909 5178 415.3107 C26 H41 N O3 170537 175748 15855 19409 67284 60742 76975 85435 187290 171341 128453 126628 171339 169106 42784 40247 46196 39141 171580 156029 148255 135887 46900 45944 31035 29949 28818 25653 12669 10546 7428 15961 15332 11202 83263 86592 129878 134385 85240 81821 14781 11543 98694 96512 52483 51344 8304 8805 45628 48034 136764 130683 85616 83046 177737 157533 27840 39775 39681 39836 17434 17098 201556 198149 109000 119338 60806 67329 71607 74773 40496 43025 17731 13456 8306 15137 59411 56450 91600 92543 77640 9748 9651 79888 76345 8543 4862 120872 80924 415.3108 415.3113@2.8163638 3205 4000 2956 4327 4993 4462 6624 6015 6338 5766 3188 415.3113 C23 H45 N O3 S 6322 6257 29590 27614 7656 7303 7204 7597 4134 4094 17306 16766 25870 26333 6706 7138 29890 30058 5328 5138 26117 25809 2149 3381 12187 12898 8024 8308 16180 15920 5055 5968 6095 5784 5878 5644 6055 6290 15347 15803 3311 25300 26906 6399 5007 6869 7052 7090 17428 18650 5552 3964 10265 8500 415.3121 415.3134@1.144 2975 415.3134 415.3327@5.90275 3037 14996 14361 4051 415.3327 415.3467@1.0441428 1831 2069 2125 1656 1636 1787 1826 415.3467 415.349@4.5785 7054 7274 415.349 415.3514@1.0377895 3174 2470 1385 1401 1646 2739 2691 2414 1401 2061 2805 2903 2039 1873 1318 2652 1904 2324 2214 415.3514 415.3744@1.049 1400 415.3744 415.4337@0.873 2402 415.4337 415.4461@1.0985999 3136 2060 2699 2173 2265 415.4461 415.4527@1.0812 3130 1736 2654 2802 4996 415.4527 415.4599@1.1055 3606 2406 415.4599 415.8062@1.081 2447 415.8062 416.1285@2.69875 6052 8220 9671 5749 416.1285 416.2107@4.7194996 8006 7665 416.2107 416.248@1.143 2733 416.248 416.2571@1.1425 15657 13923 20290 16183 7490 5733 6567 3213 416.2571 416.2628@1.065 416.2628 416.2797@1.168 2111 4464 5718 14381 3355 2265 416.2797 416.2967@1.1487143 3208 7390 6414 4285 6159 2977 3473 416.2967 416.3065@1.134 3463 7907 6716 416.3065 416.3104@1.119625 3094 5003 2540 7058 4921 6357 23501 5873 416.3104 416.316@1.064 8486 416.316 416.316@2.851 21700 416.316 416.317@1.1230714 6875 4061 5922 4170 3275 51275 29044 8401 8161 3462 5288 4965 4570 7114 416.317 416.3195@2.9015 8485 5381 4543 3167 416.3195 1alpha,18-dihydroxyvitamin D_3 / 1alpha,18-dihydroxycholecalciferol 5086 5549 6011 5582 8415 16420 2925 38443 45244 36779 31142 30899 2143 7411 4409 4340 6933 3649 3493 4111 9749 11586 12640 12680 51415 2614 19836 2441 3411 7661 6220 7177 6556 6491 4913 6801 4742 2638 9374 6842 8726 6675 8661 4829 3268 8026 5364 4696 6952 26609 6659 8374 7487 8936 5645 33186 15712 4034 2784 10298 12107 2318 11872 9870 12267 6668 8033 LMST03020254 416.327 416.3274@1.0512631 6880 5006 4075 12667 5863 2965 47304 3564 4365 15324 6687 4368 1650 8797 6269 31337 8881 7407 6343 416.3274 416.3418@1.0402 2212 14410 5996 20455 2191 416.3418 416.3425@1.023 18336 416.3425 417.0998@0.81850004 3946 4333 417.0998 417.1571@5.598 4481 5759 417.1571 417.1581@5.849 22329 23077 417.1581 417.2028@1.2005 1985 3097 417.2028 417.2092@1.2014999 2146 5260 4683 3830 2680 2802 417.2092 Trp Arg Gly 3987 3996 1713 1941 1927 2996 3107 2043 2210 1278 2195 2558 2844 3465 4027 2220 2712 2011 2059 1851 2843 3127 4132 3314 1576 2514 2527 1752 2365 2210 2428 3113 2270 2331 3886 3578 2988 2849 2032 2895 2023 1909 2583 2758 2525 2355 2442 2225 2446 1805 3393 3238 5174 4722 5122 3906 2831 417.2121 417.2155@4.8916664 9365 9784 5119 4861 36768 35313 417.2155 417.2163@2.0275002 22426 39918 417.2163 417.219@1.9225 35164 31193 417.219 417.2216@1.1365 2587 3234 417.2216 417.2224@2.104 65262 65221 417.2224 417.2337@1.077 3721 417.2337 417.2408@1.0596668 24074 25695 5805 417.2408 417.2525@1.109 2806 417.2525 417.2628@1.1115714 4127 2136 1445 3740 1708 2679 2044 417.2628 417.2744@1.1182858 1878 2081 12452 4121 4985 3097 13048 417.2744 417.2977@1.0905833 3440 2471 2184 2797 9220 8573 5218 7925 9611 4949 3020 5075 417.2977 C14 H35 N13 O2 4410 3071 3018 3009 3390 4625 5273 4454 5063 3041 4419 4398 3296 5447 3738 3092 3820 4500 3705 3282 2774 6065 3963 9254 7546 5399 8083 2307 5024 4158 10798 8611 2594 3029 4817 2013 6609 2842 7234 3472 4753 4830 5211 4632 417.3034 417.3104@1.0817499 5671 3888 4768 5736 417.3104 417.3171@1.09 5798 5369 4497 2752 2312 4415 2252 5163 2484 3251 31378 417.3171 417.3283@1.097 2977 417.3283 417.3351@1.0699999 2541 4219 417.3351 418.0725@1.657 4323 418.0725 C15 H14 N8 O7 3806 3731 3966 3754 3872 3611 2488 3600 3598 2790 3009 3072 2847 3686 3797 3062 3532 3089 3424 4428 3944 3327 2499 2883 2966 3369 3537 3441 3632 3089 3119 2573 2247 4057 3420 2626 3128 2655 2365 2619 3448 3760 2826 2954 3031 3197 3508 3979 4072 4581 2839 2995 2914 2872 3162 3245 3374 3572 3102 3648 2393 2666 2987 3189 3032 3857 2776 2871 2823 2994 3137 3420 3797 3641 3521 2952 3029 4204 3514 4245 2490 2921 3563 3852 3231 3191 3031 2825 3479 2898 418.0996 418.1259@1.142 3708 418.1259 418.1336@1.1403999 2950 2361 2120 2733 4517 418.1336 418.1341@2.94 5747 5187 418.1341 418.2019@1.091 3427 3038 5084 5434 5482 418.2019 418.2161@1.202 55149 59473 418.2161 418.2217@2.0935001 12339 7496 418.2217 418.2241@1.2175 24042 23088 418.2241 418.2438@1.196 2463 418.2438 418.2512@1.191 3863 1937 418.2512 418.2752@1.1309167 5883 8612 18152 17424 19540 10591 9895 5713 4718 21755 3712 3625 418.2752 418.2817@0.878 2600 418.2817 418.2852@1.141 5717 418.2852 1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / 1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol 7601 2016 2921 4108 3678 7160 5551 3969 5132 1844 1535 4901 5255 5182 4280 5084 6273 6365 4850 7833 8555 5025 2627 5019 3615 5960 7639 6716 4445 4460 5906 2781 5033 2564 3414 4227 LMST03020041 418.29 418.3008@1.1214442 3060 16122 9529 4579 7871 5785 1995 5698 7499 418.3008 418.3054@2.0245717 3754 3433 2066 1962 4253 3864 3976 418.3054 (24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 / (24S)-1alpha,24-dihydroxy-22-oxa-20-epicholecalc 23818 4363 9971 10076 9959 6538 6992 4861 21954 21502 5846 7879 6631 9807 526872 523124 5206 3634 19011 16069 12215 6718 25121 32468 9540 14782 7800 9267 8070 36946 38163 14078 16532 10536 3426 4392 LMST03020059 418.3063 (24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / (24S)-1alpha,24-dihydroxy-22-oxacholecalciferol 5134 5278 4667 6523 2255 7033 4594 3570 1927 5573 12104 16957 4008 5720 6034 5489 7010 3853 4624 4537 4993 6810 9946 5192 4577 4815 6278 5137 4196 3321 4055 6106 4902 4644 7281 5471 6087 8225 6555 5351 4222 9053 2762 5208 3771 LMST03020058 418.3082 418.3111@2.806 4234 418.3111 418.3199@1.0575001 12726 15068 25751 8905 11172 26126 25436 4225 15052 13198 13661 26578 16578 12971 16881 12499 12246 24512 14504 19856 17989 14372 7292 12562 15078 49502 10036 12871 34500 15036 15058 5396 418.3199 418.3269@1.05305 13745 22210 9268 44645 9682 11712 16006 18051 17421 9742 9013 14902 33490 34207 27400 26289 30142 40391 29505 11868 418.3269 418.3327@1.0504 10299 26012 27097 13422 19344 418.3327 419.12@4.032285 3683 3809 4714 5235 3288 2980 4337 3481 3558 3869 2950 3740 3735 3417 3252 3124 3086 2856 5650 4352 3354 3469 3389 3767 4269 3983 4373 3586 3728 3976 3989 4080 3872 5636 4135 419.12 419.147@0.786 8912 8774 419.147 419.1991@6.9090004 3720 3569 419.1991 419.2327@1.203 2345 419.2327 419.2759@6.6295 3008 3465 419.2759 419.2986@1.12875 3723 2732 9180 7372 419.2986 419.3141@2.0 2494 419.3141 419.3198@1.124 2785 3771 3220 419.3198 419.3228@2.0378213 3376 4472 6813 3742 7734 5705 7890 3962 4237 3292 3386 2827 5715 7309 4010 4197 2304 5074 2567 5418 7006 4544 5248 11231 10179 6356 5327 7855 419.3228 419.3249@0.71 6650 4360 2888 4456 419.3249 419.3253@2.096 6146 5344 419.3253 419.326@2.7890587 3859 4415 4700 4048 4902 4347 6320 7038 7351 8659 2905 5388 7170 6315 7478 2063 8412 419.326 419.3263@2.7668 3481 3172 3783 4973 5544 419.3263 419.3268@1.324 2483 419.3268 419.328@1.0336362 4780 2441 19280 18027 8633 12901 13172 93574 98386 10684 15091 13787 3014 5710 6865 2265 2855 5745 8364 5814 7385 10376 419.328 420.1319@1.158 1714 420.1319 420.1549@1.1995 5538 6851 6100 5890 420.1549 420.1643@6.873 7383 7102 420.1643 420.1911@1.208 1565 420.1911 420.2199@1.099 4885 4273 420.2199 420.2312@1.0195 1840 1491 2092 2052 420.2312 420.2837@1.2185 1555 1791 420.2837 420.2921@1.1552501 2463 2363 2801 2275 420.2921 420.2993@1.1446 5463 2220 2272 2892 2679 5509 3029 2551 1346 1731 420.2993 420.3113@1.14525 7999 3080 2577 4926 5479 3549 3133 2366 4043 2564 2257 8287 420.3113 420.3172@1.1268333 5910 2958 1916 6179 4505 3147 420.3172 420.3291@1.0969393 5061 7337 9632 7962 10449 7082 5010 23291 10518 10395 4912 8560 9253 5340 4275 10870 8942 5982 8354 6491 6058 6258 5877 6962 9350 7213 5908 6365 8360 12156 6145 20007 4313 420.3291 campesta-5,22E-dien-3beta-ol 15597 10442 7194 13359 23571 20145 14174 21685 46409 16842 41206 9843 6595 45451 29298 50097 17465 14659 13142 16239 55444 18341 24237 40516 10475 13392 14364 5964 9076 13235 13430 12939 14592 18711 48564 52905 16031 4509 5922 9572 10728 3937 3069 27849 7822 30603 9984 14745 11737 10386 11170 11428 46176 9079 11449 31255 50185 13125 17218 12263 15372 19298 10793 12296 11035 420.3325 420.3391@1.056 17220 420.3391 420.3407@1.083 47065 48368 7864 32516 39980 28158 27119 65676 13654 38201 420.3407 420.3572@1.04 4960 420.3572 420.9805@0.876 7895 4532 420.9805 420.9811@0.77250004 4726 8865 420.9811 421.0951@1.9121666 63044 61201 95882 96744 52797 42784 421.0951 421.0965@0.82835716 20458 20232 16940 16784 36127 33368 33905 34566 6034 5417 5273 2452 2699 421.0965 421.1249@1.0705 39712 43519 40911 421.1249 421.1272@1.52675 4219 9287 9727 6912 7242 5066 4823 6645 421.1272 421.1485@0.8 3507 1530 3852 5045 5525 421.1485 421.1573@0.803 5801 5637 3319 5484 2567 421.1573 421.274@1.027 3181 421.274 421.2841@1.023125 1920 1883 3086 3299 1979 2483 1795 421.2841 421.2906@1.231 3043 421.2906 421.2913@1.0402857 51214 1740 1690 75102 1381 31041 29887 1537 1546 2914 1316 14677 4919 1388 421.2913 421.3028@1.1202857 15963 5182 2310 3188 6114 5712 4060 3746 4547 1482 1473 12427 3541 421.3028 421.3074@1.1084666 4015 4566 4889 29173 3166 5704 6073 4269 11050 5178 12134 28429 49456 36341 3171 421.3074 421.3108@1.062 90290 421.3108 421.3109@1.1134 2180 7809 2485 5613 5043 2319 4159 3649 3121 4221 24444 24046 7414 37187 8404 9215 34586 40411 3595 4313 4347 19547 16296 26585 27870 22478 7469 19788 14788 6428 9004 2826 1918 15057 10626 421.3109 421.3141@1.0906208 5238 19191 19160 8141 2998 13264 48393 12879 4107 6037 13924 7018 5176 3984 65037 67427 3988 6017 15911 3142 25381 26550 11125 11709 2611 10632 13181 8150 4820 421.3141 AGELASINE 7948 7359 3999 4344 4499 3467 2743 2693 4766 5095 3239 5358 8044 5074 3627 5420 4225 3250 5119 5192 4971 5791 5944 3879 6745 7317 7906 7198 3552 6449 4950 4085 5421 5056 4903 4792 6598 2713 4759 5736 5888 7758 7714 5094 5412 7208 7439 8745 9144 8992 5534 5373 4322 4741 4470 6907 421.3215 421.3233@5.392 3612 421.3233 421.3249@1.206 1871 421.3249 421.3266@1.062 7312 421.3266 421.3288@1.1278573 5292 8406 3004 2592 13417 12732 4390 3760 5379 1978 4952 2781 7967 2198 1792 5121 5229 4941 4959 1844 3349 421.3288 421.3327@1.1792222 1719 2462 2120 7788 5478 8075 3658 3470 1939 2233 1942 2207 2829 5643 1807 2491 3004 421.3327 421.3606@1.1525 3466 2375 421.3606 421.3784@0.9075 6586 7360 421.3784 422.0679@0.736 4418 4310 422.0679 422.0976@2.005 3693 422.0976 422.1586@6.07 18657 17407 4448 3542 422.1586 422.1623@1.1975 290314 294603 701690 707706 12514 13296 13016 11661 11570 422.1623 422.1648@1.3835 126244 119878 326247 327462 422.1648 422.2006@1.078 2117 422.2006 422.2129@1.157 1889 422.2129 422.2493@0.88585716 6024 6063 8435 9254 6803 7128 4057 4112 10076 10321 4109 2989 3454 422.2493 422.2695@5.522312 2725 3078 5692 10739 4135 5611 6331 2691 2247 2375 1469 5717 2494 7266 5842 4338 422.2695 422.2722@5.567 3641 5597 422.2722 422.2852@5.389 5176 422.2852 422.2877@1.0455556 14031 2386 3505 12054 11974 1271 2312 6253 1505 422.2877 422.2907@4.1063333 4387 6435 6856 422.2907 422.2995@1.018 5320 422.2995 422.3012@1.1151481 15483 2828 2739 4156 4975 1756 2702 6322 3986 7469 4387 3257 1769 2776 2754 2136 7479 11649 9983 3110 3943 2670 3088 2093 4210 3930 3674 422.3012 422.3063@1.1330416 2275 4860 4462 4851 4233 3703 2328 5419 4645 2442 4272 3366 3496 3436 3676 2980 2702 2084 2331 4887 2194 3662 2802 4134 422.3063 422.3094@1.023 2719 422.3094 422.3189@1.137 5349 4959 9728 422.3189 422.321@1.2025 3245 1702 422.321 422.3311@1.10195 13468 14914 5310 25864 23086 23824 37923 24840 24624 16142 16244 1810 2667 2201 1633 39431 21777 19490 16573 16338 422.3311 422.3362@1.2054 3675 3351 3270 1267 17490 422.3362 12-Ketodeoxycholic acid 15571 15947 26098 26913 27059 18952 21083 28577 28516 9110 14701 15329 16767 30376 28980 15813 16494 24648 30361 24028 12001 17537 20297 15491 15581 3850 3831 12047 11480 3913 4194 30005 31352 17275 22863 27515 14990 15097 16254 23230 23205 36758 24502 3069 2672 33994 34365 24133 24528 26504 16406 9796 18913 25095 24198 15766 20718 2933 3049 6828 6246 HMDB00328 422.3395 422.3504@1.1096876 13903 13105 4366 4953 13548 5925 6701 6300 7514 40902 16128 57208 5036 4670 24865 9552 422.3504 422.3615@1.0474999 8817 31701 422.3615 422.7518@4.1584997 3480 2902 422.7518 422.7685@5.515 3821 4262 422.7685 422.9787@0.877 3548 422.9787 423.0911@1.9623333 4979 4781 10606 423.0911 423.1077@1.1133333 9886 9767 423.1077 423.1147@1.1 13029 423.1147 423.1553@3.331 10952 423.1553 423.1553@3.3702497 8341 7566 42565 30988 423.1553 423.156@3.9830003 11283 10493 68061 66246 3491 423.156 423.1563@4.2085 5614 5967 423.1563 423.1866@1.2005 3945 4209 423.1866 423.2042@1.199 9061 11755 423.2042 423.2105@4.13725 25808 26528 11348 10946 423.2105 423.2108@1.2005 10471 11093 3515 3418 7275 12890 15293 2549 2915 3450 10034 1903 6782 5537 5033 6014 2069 5110 2080 10768 423.2108 423.2182@1.203 2186 423.2182 423.2245@1.2106668 3794 1452 1469 423.2245 423.2449@1.119 5290 4991 423.2449 423.2629@1.12275 4094 3095 2603 2852 423.2629 423.2824@1.1273333 4151 4126 5348 423.2824 423.2945@1.1195769 5678 6392 4194 4303 5201 4524 2675 3458 3633 2292 6254 2541 2785 4003 1678 4115 4682 3161 3740 3501 3857 4485 3154 5528 3201 423.2945 423.3006@1.1188334 2985 4459 5105 4289 3618 4797 2711 4619 3826 3306 4942 3710 2531 1960 4746 3811 4031 5605 3996 4753 5159 5039 5065 7448 423.3006 423.301@1.429 12666 7110 423.301 423.3071@1.1596667 1406 1764 26191 3846 3836 5881 423.3071 423.3169@1.1816667 2145 3380 3107 1970 1865 2978 423.3169 423.3316@1.1618999 3197 4602 3754 7037 5184 2808 2718 1834 2873 5408 423.3316 C23 H45 N5 S 91376 92775 58669 60072 56145 54993 50480 48762 34840 34802 36686 36751 83367 84009 40749 44964 98304 98161 96551 98216 86015 85473 74575 73981 73161 73803 81065 77993 68752 69483 88678 87272 47219 46389 67914 68156 31812 30627 109683 110275 118983 123092 57798 57869 127027 126744 54611 55160 55231 54293 85814 85879 96144 96883 59029 57997 74871 75923 68906 68399 57963 57878 65588 64522 119211 123275 84704 86274 109933 107237 57338 60874 41781 42312 101290 98460 114397 113045 114825 79855 80275 74877 75056 73964 73548 74707 97660 98217 139040 133853 57516 57004 423.338 423.3393@1.1167334 7096 6201 7356 6730 6182 3825 3726 6607 2581 1790 4609 2092 2137 3169 4182 423.3393 423.3437@1.2 2017 423.3437 N-propyl-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine 4698 4492 1524 3594 3924 3186 3289 2142 2600 2965 3615 8460 6290 6221 2415 1942 1753 6896 7363 2631 2865 2767 13015 10264 3099 2074 2665 6178 8178 4153 3763 4811 3996 2806 2519 3854 3601 3539 6354 6673 3082 3191 3492 3356 3867 423.3549 423.3586@1.023 70433 423.3586 423.3591@1.1957142 8658 62364 65918 26756 27297 58575 59913 423.3591 423.3593@0.9955 50023 83302 423.3593 424.0789@3.485 240800 242705 424.0789 424.0842@2.987 4578 424.0842 424.1635@1.1975 4329 4653 424.1635 424.2299@1.6673332 3791 2827 11137 11784 6047 5429 9935 9932 2028 424.2299 424.2702@1.131 2520 424.2702 424.2726@1.963 2526 424.2726 424.277@1.9567372 5970 3688 3835 3319 3505 4087 5195 5861 4900 6578 5972 6000 6725 4392 4799 5196 5029 4959 4466 424.277 424.2796@0.6675 3050 4956 8649 8078 424.2796 424.282@1.307 5523 424.282 424.2961@1.14525 15985 30003 7052 5635 424.2961 424.3003@1.036 42577 67481 424.3003 424.3036@1.1244999 2356 2627 5264 22382 11295 3189 14491 32706 2212 29921 28621 1396 424.3036 424.3074@1.0606667 20459 38762 2084 424.3074 (10E)-19-fluorovitamin D3 / (10E)-19-fluorocholecalciferol 16123 17055 3265 14564 3578 2725 2482 20103 3613 14135 17131 5495 2409 6362 2026 3988 1708 1878 11519 7578 2650 8538 3777 4155 3499 4128 40520 4089 3851 2837 3634 6742 3913 10409 15895 13331 1848 1958 LMST03020199 424.3121 424.3152@1.472 4178 424.3152 424.3176@1.0999473 3721 3920 14303 8388 3273 3308 7107 13036 14535 10449 2571 2888 3068 12686 12923 4352 7360 3561 4380 424.3176 424.3189@1.1563054 3086 3138 3606 3989 7188 2885 10497 9551 12589 2147 4520 4018 19398 9256 1637 12344 5822 10223 15135 11013 19056 2732 18356 4792 5685 11627 4451 3466 3747 1948 12309 4241 5481 3617 12051 7916 424.3189 424.3271@1.138 3228 424.3271 424.3322@1.1528001 2933 4483 7789 4608 3988 8983 6140 7827 5038 2019 4142 4308 27434 22522 424.3322 424.3399@1.088 3327 424.3399 N'-5Z,8Z,11Z,14Z-eicosatetraenoyl-N''-diethyl-ethylenediamine 3830 4051 5699 17119 39905 31623 26681 10614 6360 15506 4850 4014 4618 3932 11977 11586 11314 7185 9563 9382 21712 6710 4927 5565 33704 26970 18064 8317 9011 10272 14517 424.3498 424.3522@1.0799999 19142 31852 8956 424.3522 424.3618@1.0807575 9673 13629 53234 57539 15568 19066 6998 21858 20466 17859 103270 4735 4957 11060 9028 11356 6820 9887 41654 33985 19393 18506 18897 5538 31885 31712 12045 9737 26264 26862 17460 7851 37156 424.3618 424.3638@1.0797143 29834 28880 15258 15683 26343 26523 7959 424.3638 424.3691@5.0545 16006 15536 424.3691 424.3735@1.036 13301 424.3735 424.3808@1.0432501 3932 4391 5688 14481 424.3808 424.7682@5.0205455 2484 1637 2203 2296 1956 1930 2817 2682 4477 2999 3102 2892 2225 2253 4153 2169 1602 4419 4529 2230 2042 2262 424.7682 425.0731@1.1491001 2750 2389 5952 6098 2141 2048 3334 3184 1557 1577 425.0731 425.0943@2.7055001 3941 3547 425.0943 425.1291@1.1105 2088 2609 425.1291 425.1528@3.1765 5234 5432 425.1528 425.1654@1.381 6665 425.1654 425.173@1.072 5505 5088 425.173 425.1792@0.802 5903 6871 425.1792 425.1861@0.80088884 5619 4393 4520 5124 3270 3671 2785 5137 5113 425.1861 425.2091@6.8435 6383 5954 425.2091 425.2281@1.2065 5449 5668 4490 3520 425.2281 425.2386@1.2035 3112 3316 425.2386 425.27@1.339 4400 425.27 425.2825@6.108 5341 5171 425.2825 425.2888@1.161 5945 4270 425.2888 425.3017@1.0475 42651 9123 1320 1351 3807 4029 425.3017 425.31@1.1362777 3446 3130 2294 1957 1716 2633 3418 1975 6060 3061 3270 1789 3320 2624 3417 2912 2646 3791 425.31 425.3133@1.7368 18707 3441 3288 27502 24981 425.3133 425.3146@1.8123335 7268 4390 7280 425.3146 C25 H39 N5 O 6000 5913 17248 14051 44151 76219 5669 5629 18475 15317 94737 100078 821738 837505 17052 17946 9494 5069 7940 7814 109242 109945 13653 14949 85936 81469 10733 10506 88677 133541 5604 12426 10801 11032 10183 54106 51619 21837 32909 619165 603377 8503 7086 9887 9630 42774 36162 88550 79310 34627 34013 425.3151 425.3172@1.1103125 3780 3241 3281 20471 15948 27908 31941 2785 4500 4133 2407 25487 3849 38359 6845 3073 425.3172 425.3301@1.104421 6934 4622 2830 2342 3166 3239 3302 10519 8089 4796 5959 7463 3002 3657 3786 6559 5239 5164 4724 425.3301 425.3377@1.1175 7138 2224 4849 4727 425.3377 425.3437@1.077909 2696 10314 1821 7403 7731 9495 3222 3233 4608 2100 2951 425.3437 425.3522@5.3725386 6222 8609 9353 7852 6935 4005 6668 13605 11111 9280 5061 7262 5318 425.3522 C23 H47 N5 S 95021 88244 87744 93436 82988 75300 62509 73030 43630 44246 68320 69506 90688 92272 38022 30071 94736 101447 128602 121416 66705 67417 71442 66493 70995 78147 71320 68550 80333 89227 108031 107863 47938 48124 98367 90852 24259 28289 153945 155001 89484 80942 77381 69390 134202 145633 72468 72854 64216 54619 107441 95127 102019 91526 50193 50109 94785 95945 86844 97456 72106 73327 45266 46155 82506 81827 88708 80351 116258 119850 84376 94222 53312 47008 84415 71982 153123 150543 153357 93678 104926 88762 92087 77838 86815 84588 72137 72025 238831 205122 46600 49438 425.3541 425.7755@5.0085 2340 2217 2347 20812 1726 29626 2832 10415 425.7755 C11 H Cl3 N2 O4 S3 2928 2941 3148 2905 3195 2715 2833 3010 2910 2861 3237 2913 3658 2884 2786 2960 3114 3143 3215 3165 2663 2868 2917 3005 3270 3260 2690 2801 3127 3273 3103 3124 2637 2904 2754 2780 2537 2340 2557 2721 2770 2642 3103 2678 3266 2919 3046 2994 2942 3089 3380 3260 3063 3085 3458 3190 2981 3350 2628 2715 3046 2791 2782 2726 2984 2741 3009 2858 2830 3162 3214 3088 2943 2985 2821 3054 1861 2836 425.8162 426.0548@2.224 5629 9816 426.0548 426.1853@1.201 1925 426.1853 426.2127@0.884 4567 6308 426.2127 426.2661@1.1214001 4071 10836 2018 7707 7144 426.2661 426.2686@0.865 107679 126539 426.2686 426.2749@1.1446666 2172 1748 2251 426.2749 426.2844@1.1350769 1905 4270 2388 2235 3017 2453 1668 2186 4907 1717 3323 6329 1842 426.2844 426.291@1.0580001 2392 2561 3378 426.291 Leupeptin 4439 4021 8754 8245 5952 11458 7092 8106 10710 5469 11656 13361 17819 11768 2260 12652 3795 12884 9106 9759 9850 10947 16257 3323 3188 13829 13172 3890 9004 5269 5320 8428 15760 17492 11112 4860 10926 12324 10076 6043 2489 6691 14401 1947 3224 5145 8537 10087 8882 10876 10607 3309 4166 8178 9592 9583 10026 5187 12521 11509 426.2961 426.3036@1.159087 3259 7058 5692 10334 22005 8336 2915 9314 6352 3978 3014 4667 9210 7043 7808 2765 2317 7876 6893 12355 8356 2616 3766 426.3036 426.3081@6.585 1700 426.3081 426.3093@6.605399 1289 3395 3991 4324 2789 1879 2324 5413 4925 4032 426.3093 426.3146@1.138 6194 2346 2662 2629 3933 5715 4836 6815 426.3146 426.32@1.7666668 1436 16774 2315 426.32 426.3203@1.8050001 22716 6569 426.3203 426.3296@1.0676 18675 26706 7320 5837 13779 426.3296 426.3326@1.658 6349 426.3326 C25 H47 Cl N2 O 16169 14419 20338 20069 25245 17142 37166 16028 28389 11506 11956 13976 19729 16080 21190 13468 15090 19375 15759 14779 14520 19904 20840 21314 9517 20234 15021 17743 18042 13768 14201 6994 7789 12035 15397 15130 25719 12126 12401 17255 10681 8265 19733 21570 14136 17049 16452 23865 19931 20235 10517 27859 10502 17878 26651 15691 14911 11616 13654 426.3378 426.3827@5.0465 6956 5325 426.3827 C11 Cl3 N O3 S4 3394 3671 4091 2884 4198 3529 3499 4145 4386 4759 2580 3593 3602 3818 4940 4256 4728 3890 3104 2766 4964 5025 59069 3153 4168 4392 3938 4099 3628 3169 3332 3203 4634 4670 3761 4470 3051 2850 4269 3888 3934 4101 3122 2326 3010 3888 3996 3894 2181 3405 4460 4028 3303 3746 3666 3337 3449 3290 3463 3634 3147 41820 4176 2764 2919 4039 2832 4734 4713 3198 3541 3340 4171 2843 3061 2664 3536 2869 3958 3912 3950 3013 2949 2670 2593 4532 5316 426.7832 427.1128@0.7548572 2002 3027 2857 1558 2488 2226 3797 427.1128 427.1205@0.76 2154 427.1205 427.2104@5.655 16186 427.2104 427.2112@5.7060003 11666 8616 427.2112 427.2143@5.6619997 13709 2929 427.2143 427.2426@2.041 4572 427.2426 427.2471@1.3855 6393 7964 427.2471 427.2741@1.176 2564 7071 427.2741 427.2758@2.7049413 7876 5596 7807 8323 8948 8407 9858 9462 8910 7231 5461 5867 8009 6021 5943 5873 7768 427.2758 427.2853@1.1913333 9103 8440 3805 427.2853 427.2862@5.000917 12771 1965 1939 13052 2163 12076 1718 1784 14345 11667 15488 13491 427.2862 427.2942@1.1335714 2952 3875 4553 1796 2645 4337 2841 427.2942 427.2943@2.1656249 9541 9262 8546 12912 9573 8752 14955 14524 427.2943 427.2967@6.061 4670 4377 29375 28429 2467 427.2967 427.2989@0.81850004 3891 4064 427.2989 427.3063@1.144 2139 2197 427.3063 427.3143@1.1123333 6591 2723 2331 427.3143 427.3211@1.1534445 7417 7790 4665 5138 3311 3569 2960 3350 4910 427.3211 427.3213@1.732 3118 427.3213 427.3215@1.411 22044 21932 427.3215 427.323@1.797 6424 427.323 427.3316@1.0911388 8114 5791 5912 6523 5085 15978 19692 3751 5233 14550 11122 4558 7633 8476 3851 8704 6369 8332 5785 13069 14295 8082 9848 8720 10620 10119 9184 7887 7413 10753 6589 4469 7680 4037 7902 7999 427.3316 427.3401@1.0550001 3532 3048 2510 2503 8070 427.3401 427.3459@1.0467501 1798 5803 6178 1780 427.3459 C25 H49 N O4 10716 9361 15221 15162 7500 7632 8338 7904 15199 14948 4323 9032 15193 8408 8349 6063 10832 13534 13852 6471 6704 15752 16129 4141 3753 10994 12797 11446 10929 7968 12848 12305 9992 9516 6966 11355 11065 9721 13314 6355 11095 11991 11721 11018 10537 21708 6885 427.3674 428.051@5.603 2209 1702 428.051 428.0944@0.8170908 2660 3901 3953 3039 3285 2932 2051 2530 2823 4009 4119 428.0944 428.1105@3.9629998 11757 10829 428.1105 428.1112@3.3585 7267 8546 428.1112 428.1673@6.0686665 75469 73334 18433 17471 8406 8284 428.1673 428.1695@1.1865001 13896 12364 428.1695 428.1721@1.2685 3258 3425 428.1721 428.1972@1.15175 5373 4938 12154 11491 428.1972 428.2045@1.1103333 3456 2666 5954 428.2045 428.226@5.617 5931 7365 4678 428.226 428.2296@6.145 3037 1922244 1951323 621596 615782 3838 173442 173836 2667 428.2296 428.2329@5.625 9228 428.2329 428.2468@1.205 1720 428.2468 428.2608@1.2025 2449 2465 428.2608 428.2723@1.20375 3157 9799 3649 3107 428.2723 428.2788@1.171 4910 3961 3533 3040 428.2788 428.2947@1.1545199 2670 3115 2781 2562 1768 5437 10073 2205 3642 5145 7129 2851 2511 5120 4449 4213 4644 3336 7917 4845 4990 2968 4863 2726 4633 428.2947 428.3015@1.1505 1871 2418 428.3015 428.3089@1.1175001 6002 2661 5465 4538 428.3089 428.3091@1.1693333 5075 5933 5768 428.3091 428.3165@1.1135 3310 2833 428.3165 428.3297@1.0986563 4590 3254 5281 5593 10952 4971 4455 6009 4513 9772 9900 2807 3908 8520 2491 3576 4340 2395 2970 3429 4456 4492 4176 8156 5090 5192 3540 8731 2782 3606 4396 6560 428.3297 428.3354@1.0898889 3605 6388 2971 3865 3465 6664 3818 5144 428.3354 428.357@1.02975 14714 17469 46979 42994 428.357 428.3644@0.716 2061 428.3644 428.3655@1.037 16278 20040 428.3655 25-hydroxy-26,27-dimethylvitamin D3 / 25-hydroxy-26,27-dimethylcholecalciferol 24953 24573 39683 41038 21495 34442 22999 25712 21830 22055 51620 53768 36125 36681 15137 14787 18583 21026 55724 57545 29852 31410 16998 17546 23127 23302 17417 16207 31610 34497 16392 30420 41668 39648 29536 29253 20012 22627 45712 45474 30209 29934 19349 20650 81178 81138 42087 42006 24851 25705 22894 21989 19590 18707 29702 31045 32331 28303 45018 42478 42153 43964 38516 39897 16877 18654 31661 33307 37108 17834 24387 40821 21417 20696 26256 27312 61593 43444 64026 58798 78566 78325 46385 47111 64395 64227 64554 71178 28859 29362 LMST03020416 428.3674 428.3733@5.3205 2197 2151 2469 2345 428.3733 428.3753@5.2005 5788 5683 428.3753 429.1807@0.79300004 3816 8342 7834 429.1807 429.1821@0.949 2309 429.1821 429.2025@1.1902223 2709 2141 6055 3139 4261 4621 1468 4020 429.2025 429.2071@1.1905 3230 3359 429.2071 429.2318@1.054 2719 429.2318 429.2392@1.7000002 5369 6252 7425 6519 7657 7671 429.2392 429.2404@3.075 8956 429.2404 429.2457@1.2025 4800 4973 429.2457 429.2554@6.072 2408 429.2554 429.2626@6.8667216 4156 3748 6378 6100 3104 3001 3525 3239 2581 3115 4191 2690 4209 3519 2705 2621 2611 2815 429.2626 429.2686@1.187 2070 3430 429.2686 429.2775@1.211 12165 429.2775 429.2786@0.8715 5021 5638 429.2786 429.291@2.5314999 7518 4646 429.291 429.2919@4.3635 6328 5125 429.2919 429.2921@2.0784998 4723 6220 429.2921 429.2956@1.159 3746 429.2956 429.308@1.086 2085 429.308 429.3111@6.064 8012 429.3111 C23 H44 Cl N3 O2 5016 5083 3758 3574 6701 5936 7411 8002 6916 6900 7572 7440 11195 10750 4310 4155 10901 10282 6490 6451 28278 27351 208207 215423 3403 3809 8427 9836 2839 3295 4115 3918 3931 3314 3415 3144 3955 3718 6629 7051 4706 4868 2955 4412 4784 8012 7760 3527 3382 11239 10896 8034 7486 3312 3167 3821 3777 5948 5658 4193 4816 9774 9879 9514 9315 7007 7247 6686 6401 6882 2830 5629 5620 10094 10194 9284 9237 429.3122 429.3185@1.08 2245 429.3185 429.3274@4.4631667 5326 5192 3855 3651 3637 3768 4057 3754 5048 4727 3827 3612 429.3274 429.3346@1.1045 1772 2446 3366 2940 2019 2595 4522 2603 2296 2292 1757 1774 429.3346 429.3427@1.1001579 2869 4695 3180 2749 4421 2917 2693 3117 3230 2648 3019 2481 2425 3231 2831 2018 3462 3094 2137 429.3427 429.3477@1.0927 2542 5661 5156 2351 3091 3801 1807 2373 5313 6985 429.3477 429.3702@1.0535 10682 12627 9861 8531 10959 7135 9598 8089 429.3702 429.3736@0.73333335 2415 2343 2087 429.3736 C24 H51 N3 O S 23079 22072 54734 57720 20380 33357 21893 25055 29931 31048 52857 52604 37018 43508 20065 20753 20474 23893 49108 48513 34683 34967 36764 24174 27164 28320 10575 20046 37304 37583 22450 29261 56708 49656 27980 26627 21062 30660 44048 39062 30582 38525 25548 20656 97665 103389 37873 35478 31047 31492 39006 41437 26592 27499 44963 50301 37191 43045 41939 11300 37956 47493 45464 27863 13923 17839 34861 47944 29863 29781 34531 34923 23166 22439 35965 30388 59383 38769 59526 43024 40343 85874 98355 93022 70406 71592 60258 49782 79438 69658 52175 51616 429.3744 429.3849@4.1118 22794 21617 5926 20450 19246 429.3849 C17 H2 O10 S2 61525 63709 68100 67830 69195 68434 72788 72809 70183 69438 63538 64100 66788 69290 66077 68287 67581 67645 67650 68173 66497 64988 69392 70104 73481 71777 73364 70718 74505 75077 61329 61921 67132 67721 75441 76650 71617 72414 76775 76832 65252 68641 61993 62240 70579 70051 67302 67873 72420 72673 71168 72931 66388 68043 70786 69799 69878 70500 71539 71359 69620 70707 69504 69214 79732 79166 68545 69453 65133 63658 68691 71629 74455 73708 68875 68509 69906 69582 69960 67226 67992 74406 74484 74686 72633 69699 72568 72199 75662 71733 67442 66198 429.9086 430.083@0.7171429 2179 2882 3576 3636 2961 3073 1776 1452 1648 1600 2161 2599 2682 2148 2571 2302 2885 2350 2812 4015 3639 2066 2215 2081 1806 2931 3058 1740 3142 2564 7036 7584 2621 2125 430.083 430.0996@1.1405001 5210 5637 430.0996 430.1301@4.313667 4067 5075 12836 430.1301 C25 H26 N4 O3 32502 36569 46157 26281 76678 78166 21997 21436 1750 7437 7590 1588 22004 22942 31895 20206 5812 5735 46186 46128 5796 5139 5010 9392 7433 9775 2353 4436 1847 6651 3453 4086 4453 37531 37849 3851 4558 4383 4291 1691 3132 1330 4893 6440 10918 4475 430.2041 430.2107@1.1248889 19232 25219 21906 21321 4015 2904 15679 14797 18842 6803 5502 6962 5719 9482 4703 51112 52416 3250 430.2107 430.2672@1.104 3177 430.2672 430.2718@1.43 5055 430.2718 430.2723@1.50875 20661 22149 6223 3978 430.2723 430.2727@1.6269232 7600 7153 20286 17018 8246 8625 6229 13838 10985 5617 7080 5386 6896 430.2727 430.2745@1.1206666 2154 3113 3369 4133 3477 5402 430.2745 430.2757@1.652 7677 430.2757 430.2863@1.1860001 2417 2067 2383 3436 1855 430.2863 430.308@1.1516668 4022 4939 4396 18083 11130 4693 3593 41302 36881 430.308 430.3104@1.1018333 4792 3526 2975 3979 4000 3599 430.3104 1alpha,25-dihydroxy-24-oxovitamin D_3 / 1alpha,25-dihydroxy-24-oxocholecalciferol 66739 60139 32197 31070 17808 16148 23049 23253 25478 26892 52448 57559 35591 37542 27226 26875 17626 17153 31468 37144 28780 31248 15413 15034 100982 97190 18481 4630 15923 16124 28507 29045 18174 20661 24270 20803 93568 91389 62920 57993 30733 29980 19527 19668 63437 64882 46616 45467 23975 29022 56553 51881 15199 15574 21119 22427 23638 24089 44297 45654 36550 46838 34941 35295 13310 14299 26913 26767 21058 26476 22104 23123 23987 23764 22214 22214 59034 15461 49076 33648 34971 45653 43940 46279 26009 27610 40563 4686 44040 40837 38344 4663 LMST03020186 430.3109 430.3272@1.0799091 4247 4338 4136 8643 4546 4945 4849 4671 4788 5837 4760 430.3272 430.3332@1.0728 4239 4106 21502 3807 4290 430.3332 430.3413@1.0501925 15048 14678 6634 18026 36033 44789 34535 13220 93179 94487 30293 41014 18509 3312 21406 14211 26779 5264 12725 29046 13785 42922 10455 57833 56662 55603 430.3413 430.3486@1.0442 18053 59731 20229 17879 105978 430.3486 430.3596@1.035757 22845 70108 8518 9788 22604 22511 16556 16213 10144 14720 14721 23497 19697 10758 12538 20464 14769 6500 16386 17364 15363 15695 12220 11845 19927 60618 21381 13856 22783 62727 47658 10531 13144 14272 17076 16371 19784 430.3596 430.3778@1.004154 2163 2684 3083 4671 2789 4246 2478 5986 6660 2727 2722 2355 3912 430.3778 430.3781@2.037 7166 430.3781 431.1386@6.283 3722 5633 3027 3213 431.1386 431.1568@1.0223333 2200 6411 6613 431.1568 431.1873@0.8208182 4195 4634 3821 3987 3445 3794 4082 2936 8123 6817 6672 431.1873 431.1891@0.89000005 4128 3851 431.1891 431.1979@6.053125 31399 33992 120692 122569 28247 28745 59315 59919 431.1979 C21 H37 N O6 S 385194 385264 686553 688691 362230 386644 798254 813084 717647 736048 362565 364002 276817 272088 425686 423105 501732 494893 164532 284469 281499 449463 422799 496958 491424 481729 475772 513467 498085 522047 510396 534682 537803 307408 309210 408937 411891 482585 523419 517078 481475 475088 457098 462498 585292 587330 434945 442844 407930 409981 41095 500899 461881 391790 383504 421410 414422 437459 446159 615137 614267 350463 431.2351 431.2356@1.1715385 33105 15177 27687 5492 4503 12735 7763 12911 6343 7384 44546 7851 8627 431.2356 431.2476@1.2033333 4320 3786 5497 431.2476 431.2622@3.49 5538 431.2622 431.263@1.2049999 3150 5156 4632 2857 3351 2306 2586 431.263 431.2631@3.526 6765 14264 431.2631 431.2724@1.2136666 5195 3553 3861 431.2724 431.2751@3.3848665 7927 8148 12221 10959 5350 6807 3078 3788 5275 2014 5376 5550 6397 6848 3064 431.2751 C19 H37 N5 O6 59985 88084 17817 17448 79826 64022 14364 17386 1456 40383 39406 68457 12186 15293 34949 37688 65146 45746 41641 62333 90307 61450 65683 43969 45958 73200 34557 32595 36669 9714 35819 55708 45340 46863 44836 60760 62995 39766 40506 431.2756 431.2756@4.32 2346 431.2756 431.2763@3.978 2951 12309 431.2763 431.2794@4.3943334 2948 3483 1803 431.2794 431.289@4.4708095 2606 10215 10266 4601 6630 7876 7205 5101 5700 8685 3979 4160 5072 5031 4539 5240 3930 3364 7514 11570 12605 431.289 431.2953@2.7445002 5911 8409 7438 5984 431.2953 431.3004@4.4525003 7643 7020 431.3004 431.3008@4.8083334 1712 5185 18343 431.3008 C22 H45 N3 O S2 6179 7767 5005 6755 3528 4230 18115 8097 7511 10042 8115 8938 7306 5757 7469 6824 4330 3720 4259 5366 11684 13459 3775 6440 7027 4346 9372 7395 3933 5250 8656 10103 4243 2014 2038 6833 7893 5076 4668 3423 3382 3424 7655 3796 2901 7172 3350 5255 5183 8565 6756 15803 17494 3690 4945 5640 5059 4367 6590 9533 6041 8421 9735 9670 4691 7345 7352 2484 5748 5765 26320 25988 431.302 431.3026@2.6669998 7642 3961 6620 431.3026 431.3027@2.6417618 11333 17979 6318 8268 16652 18097 8124 8126 5376 6824 17833 20458 2354 15664 17292 10072 18534 18727 13652 13031 7417 431.3027 C27 H37 N5 19605 20928 63462 63868 93500 95781 35829 36552 53796 52593 24033 20617 23223 21057 20982 25164 11278 11529 90005 90319 23786 24683 16302 14317 17537 15725 69652 67601 40589 40955 37195 36603 13255 133419 38498 37363 21031 18282 25758 25184 23329 21915 18757 19574 83745 86884 33416 34538 15073 16405 33102 31716 14577 14521 15142 16735 53010 49123 17843 14602 10548 13486 10314 9609 11451 12252 11996 10825 36276 36091 76613 79616 75171 33316 34694 20918 92651 87532 431.3037 431.3047@1.0355 2724 2353 431.3047 C27 H37 N5 + 4.9198785 15635 16560 9225 8902 7768 19454 12027 8075 21286 19991 11455 9623 4929 5933 4622 5609 6084 11589 12112 48446 50345 4759 4982 7116 2547 7803 30556 29927 8539 8404 7728 24369 21895 431.305 431.3069@4.637 116854 431.3069 431.3176@1.04 3015 3813 431.3176 431.3295@1.0336666 1721 2967 2893 3622 2524 1807 431.3295 431.3367@0.91050005 4407 4928 431.3367 431.3395@1.0405385 3584 3421 4187 3053 2704 2351 2802 3338 3518 4182 2955 3722 2494 431.3395 431.347@1.04425 3590 5034 2920 3260 431.347 431.356@1.0475 2122 21798 18823 5561 4443 5178 431.356 431.3794@1.002 1409 1388 431.3794 431.4765@1.1084 1659 1841 3454 2180 2329 1905 4161 2591 2227 3281 4468 2565 2151 3445 2332 431.4765 431.4851@1.1074349 2165 1851 1490 2927 2458 2966 2098 2290 2199 1861 1971 3330 2196 1023 2611 2207 1772 3369 2592 2032 3493 3791 431.4851 431.7036@3.869 2795 431.7036 431.7882@1.105 2601 431.7882 431.8367@3.884 3640 431.8367 431.8601@1.107 1974 431.8601 431.8837@3.867 1699 431.8837 431.9212@3.835 2759 431.9212 432.0224@3.875 3304 432.0224 432.1565@3.833 16532 1749 432.1565 432.2013@2.9435 11487 11672 432.2013 432.2118@1.199 5008 432.2118 432.2356@1.428 3872 432.2356 432.2359@1.7096666 7003 12556 5435 432.2359 C22 H40 O4 S2 6511 4179 30267 28512 5314 5059 5663 16095 13824 7911 6899 10726 11294 7286 7762 17222 18589 3552 8124 4660 7782 7877 4920 13068 13143 5474 4380 432.2362 432.2633@1.1566666 5276 4988 2641 432.2633 432.2711@1.1535 3405 5884 432.2711 432.2834@1.16375 6841 8787 5819 8278 432.2834 432.2977@1.2080001 2674 4323 3133 2981 2324 13774 432.2977 432.3115@1.2035 3791 2027 3191 3247 9553 4180 3221 2911 1783 2430 3869 3997 4732 3376 4060 2384 3142 3106 2131 432.3115 432.3133@1.1906875 2731 4231 3824 1951 2109 5713 5985 4621 3632 2696 4146 1779 2725 2891 4780 4781 432.3133 432.3288@1.0929999 3013 52228 41032 87635 432.3288 stigmasta-7,22E,25-trien-3beta-ol 11383 11856 8421 77020 47368 70183 72211 18750 22105 11353 10010 74456 94948 53205 64573 9169 7757 32155 15121 15810 62458 92956 100133 9159 13988 7392 27389 14421 10795 11602 16317 15614 12978 60078 56867 20451 33153 7581 38338 99965 59443 12999 14544 6638 10213 18788 9766 48365 12204 14000 12520 13665 12433 57934 57325 42589 44732 432.3388 432.3427@1.1291667 9305 5955 2550 2546 21514 20221 432.3427 432.7319@3.882 1335 432.7319 432.734@5.53575 4503 4763 10653 10424 4734 5150 3161 3058 6023 6450 1749 4643 432.734 432.7362@5.558 2731 432.7362 433.0965@3.845 5594 433.0965 433.1123@3.615 3295 433.1123 433.1527@5.773 4363 2730 433.1527 433.155@5.718 4212 433.155 433.1766@6.477 3205 433.1766 433.2114@2.209 5636 433.2114 433.2119@1.19 4468 4265 433.2119 433.2126@2.0235 10129 7759 433.2126 433.2137@7.074 48055 48771 433.2137 433.216@2.125 5984 25519 433.216 433.2388@5.533 4707 4571 433.2388 433.2424@1.168 2259 433.2424 433.2634@1.11 8150 433.2634 433.2729@1.147 1645 433.2729 433.2811@1.153 1454 1742 433.2811 433.2897@1.068 6531 9185 3321 4873 4309 5226 4404 5361 433.2897 433.2984@1.0655 4020 8495 3328 5579 3221 3207 4432 5787 7808 433.2984 433.3095@1.0587499 6210 5416 6279 4836 433.3095 433.3155@1.0542223 2336 4532 2018 5838 6007 3731 6766 8087 3886 433.3155 433.3225@2.98 8342 433.3225 433.3241@1.045 7674 2243 433.3241 433.3294@1.0455 1903 6465 3287 1911 1403 2740 4359 7901 433.3294 433.3381@1.0469999 88698 4863 2133 2744 433.3381 433.3489@1.028 1813 433.3489 433.358@0.987 1517 433.358 433.6391@3.837 5098 433.6391 433.7186@3.85 2842 433.7186 433.7565@3.844 4598 433.7565 433.7655@3.837 4040 433.7655 433.8472@3.846 3176 433.8472 433.947@6.732222 2913 4462 4937 3537 2924 2630 2696 2874 3059 433.947 434.0693@1.5208235 6010 4374 5436 4831 6133 3224 4927 4595 4398 4671 4966 3699 4615 3904 3432 3090 5350 434.0693 C14 H26 O9 S3 3876 2874 2985 3167 2816 2976 2226 2183 2727 2758 2803 2800 2424 3349 3502 3106 3164 2778 2691 2862 4302 4028 2452 2349 2595 2927 3034 2209 2549 2382 3273 3651 2380 2311 3188 3218 2331 2433 2666 2814 2375 2496 2539 3047 2492 2463 2704 2133 3807 2900 3222 2990 2604 2203 2267 2046 2536 2638 3001 2630 3273 2977 2259 1988 2825 3518 2787 3017 2332 2161 2051 2803 3060 2498 2540 2954 2645 3240 2966 3025 3206 2497 2596 3398 2996 2377 2518 2101 1956 2245 434.0731 434.1197@2.06875 2080 1872 4252 4254 434.1197 434.1455@1.643 2642 434.1455 434.1475@1.04 2410 434.1475 434.2016@1.21 23858 23164 434.2016 434.2108@1.2019999 2002 1734 434.2108 434.2424@1.1875 3351 1982 434.2424 434.2618@1.191 2902 1792 434.2618 434.2729@1.197 5278 3110 3352 434.2729 434.2805@6.7314997 3839 3059 434.2805 434.2919@1.1251053 6972 5437 6936 9277 7324 6276 6092 7169 4142 6902 6098 4529 5093 4127 5782 4268 4823 5299 9126 434.2919 434.2969@1.122 10100 434.2969 C26 H43 Cl N2 O 8274 8873 6546 8879 7112 8244 8635 6126 5375 6432 10248 7779 8147 13669 11559 81347 77415 5912 10599 5452 4669 11348 5354 8965 5435 8737 8425 9173 9525 3650 5406 4328 8110 4991 7690 2292 6983 9663 6347 13285 8755 12424 7544 8462 7960 6472 6233 5077 7776 8048 5979 4739 4354 5567 6022 5454 5782 11014 8119 8545 8583 434.3058 434.3112@1.1238571 11129 8790 5121 9516 3941 7535 3533 434.3112 434.3189@1.0895 49714 13091 29050 35906 434.3189 434.3253@1.052 26331 434.3253 434.3363@1.0611429 19260 20898 28114 41901 64541 74363 14148 37545 42688 28923 43200 61552 42042 9777 9032 46728 43315 36145 51212 46064 56656 434.3363 434.3395@1.0565484 57397 26684 26746 90654 27789 30140 38885 28927 45889 49282 49174 32918 59676 51498 52622 62901 32441 44712 58500 50610 70104 72281 68756 45599 55169 39830 59152 42174 66282 30153 434.3395 434.3591@1.0896001 2121 5560 2463 65867 28187 434.3591 434.3668@1.207 2958 434.3668 434.3761@1.208 2746 434.3761 435.1038@1.08175 29910 36417 35083 435.1038 435.1123@0.90990907 3363 2952 4326 4057 7543 7806 5423 4853 3221 4053 3898 435.1123 435.1124@1.0623333 3112 3089 3324 435.1124 435.1228@2.0701818 5450 5556 3778 3759 3519 3637 3297 10400 9702 4494 3990 435.1228 435.2289@2.026 2705812 2766497 435.2289 435.2317@1.925 2008592 2016593 435.2317 435.2348@2.111 4412790 6535441 435.2348 435.257@1.1601428 2260 9721 12307 8197 7772 2530 2271 435.257 435.2681@1.158 2432 435.2681 435.2757@1.155 3299 435.2757 435.2857@1.1443334 7138 4734 5746 435.2857 435.3021@5.2655 29247 31308 435.3021 435.3027@1.129 2921 435.3027 435.307@3.1044998 7375 4285 435.307 435.3169@1.0699999 11775 9435 5586 11429 435.3169 435.3231@1.092 5211 435.3231 435.3296@1.0684999 2655 3159 3370 6162 6492 3789 435.3296 435.3368@1.0523 10399 5246 13584 15652 14090 3243 9161 80166 11787 11772 435.3368 435.3466@1.0503334 13456 16026 7193 435.3466 435.3581@1.1985 6560 6609 435.3581 435.3754@1.1395 2111 1898 435.3754 435.3942@0.906 13701 13281 435.3942 435.4839@2.0825 124429 168810 435.4839 435.7081@2.163 3695 435.7081 435.7483@2.191 2449 435.7483 435.7743@5.7 2207 435.7743 435.7908@1.924 5177 435.7908 435.8165@2.181 2545 435.8165 435.8587@1.924 7138 435.8587 435.9213@1.999 5413 435.9213 435.9448@1.907 2067 435.9448 435.969@2.181 1636 435.969 435.9928@2.17 4283 435.9928 435.9973@1.9549999 6693 2635 435.9973 436.0179@2.043 12838 436.0179 436.048@1.959 4982 436.048 436.0611@2.149 5347 436.0611 436.1439@3.651 299818 300886 269751 269537 15112 12328 11962 44722 42472 436.1439 436.1501@1.3495 5056 6110 436.1501 436.1894@1.1044706 133930 130136 184074 222805 89867 90839 79564 80348 53977 176851 179774 123264 349431 350660 2342 182001 181815 436.1894 436.2173@1.0395 3572 3649 436.2173 436.2298@1.161 3050 436.2298 436.2913@1.176 2381 436.2913 436.2998@1.16 2460 1691 2576 2422 1653 1903 2122 436.2998 436.3165@1.1331667 5370 3053 2194 5519 3108 12654 436.3165 C23 H49 Cl N2 O S 41064 34593 17303 25159 26165 23721 18515 21118 116470 23924 24611 12932 29761 25283 25466 56650 23663 40794 47425 62493 55334 107704 37067 15040 20058 16495 17657 21506 10921 6608 18457 40430 12070 22851 22066 18149 12397 29435 19258 41170 17488 14407 30700 25813 19429 19196 14894 48317 13077 10748 21532 26342 44207 25431 17986 45170 19299 14710 24567 17275 14721 19510 30547 38732 29772 13710 13949 436.3258 436.3306@1.1144999 4735 14931 9210 32690 436.3306 436.336@1.115 6573 4640 1985 15443 2100 5355 99369 82315 66111 34158 12429 174216 7415 436.336 436.3441@1.1536666 151141 2748 2406 436.3441 436.3464@1.1768 2322 125562 1512 1481 2448 436.3464 C19 H40 N12 4193 3052 2379 2601 10653 3497 1877 1936 6263 1590 4843 3328 3111 13556 2058 7781 4039 5066 2108 8781 4168 1908 1743 1844 1715 2561 7882 4211 4951 2798 1809 1188 2946 3217 4510 5116 2202 3639 19497 2794 35632 16918 3931 2063 3829 1965 2644 1845 436.3592 C21 H49 Cl N6 O 57126 59592 33318 35579 6131 5410 11953 11189 3376 4001 4395 1907 2203 8078 7371 4343 4888 12551 12787 11255 5955 21537 11058 4601 4189 2174 4908 4647 1442 4295 16558 5053 4639 4208 3980 3437 3420 8504 5831 8700 9289 4333 4758 4391 4291 3686 43967 21718 8030 6709 4778 5008 4857 5024 11232 12216 53973 52294 436.3602 436.3647@1.0320798 3762 3142 4607 2351 4185 4303 3258 2238 2498 5744 2663 3067 2283 2017 1517 2234 2023 9300 7712 31407 5205 4320 2544 2598 2255 436.3647 436.4813@1.925 8181 436.4813 436.4855@2.158 10864 4813 436.4855 436.7114@1.92 2572 436.7114 436.7291@2.03 5074 436.7291 436.7636@2.038 5569 436.7636 436.7855@2.108 7698 436.7855 436.8106@1.945 2364 436.8106 436.8195@1.913 1557 436.8195 436.8277@2.13 4635 436.8277 436.9027@2.112 3352 436.9027 436.9543@1.927 2652 436.9543 436.9646@2.136 2730 436.9646 437.0387@1.925 2162 437.0387 437.0508@2.028 3331 437.0508 437.1057@1.0764999 2512 437.1057 437.1125@2.144 2044 437.1125 437.1234@1.13825 19946 17417 17089 437.1234 437.1721@3.806 5361 5187 437.1721 437.2107@3.9710002 6195 5925 437.2107 437.2261@4.1099997 4090 3903 437.2261 437.2311@2.015 58286 437.2311 437.2376@2.084 285988 437.2376 437.2907@2.8504283 4917 9766 5310 11764 4223 3232 12081 437.2907 437.2922@2.8831666 4852 7028 17037 8789 3179 8953 8334 3379 6440 15836 9687 3689 437.2922 437.3057@1.1359999 5099 2692 4150 2440 437.3057 437.3159@6.045 1937 437.3159 437.3232@1.1252856 2901 3252 3883 2164 3479 2708 3434 437.3232 437.3339@1.0830001 31515 6362 7027 12242 10937 6541 4692 10070 9544 6657 34667 31069 437.3339 C17 H43 N9 O4 9855 9909 16611 18510 11195 14648 12502 37805 9900 15057 10792 16711 13089 7733 10463 9021 14837 10331 5582 11998 8565 6749 6725 9361 9901 8808 10543 49383 14230 14083 13222 12765 6322 8309 9198 16696 15259 13686 7631 13435 13435 6302 6730 6948 8178 9845 12388 54123 4049 12418 27678 5425 8286 11566 15674 5818 9449 10154 8665 437.3468 437.3505@1.0468 4647 6092 3857 4974 3280 437.3505 437.3536@1.063 4707 6272 6975 2764 3944 5780 10395 9527 5089 437.3536 437.3659@1.202 3023 3434 4215 3028 4743 4920 3902 3258 4053 3993 4716 1742 3733 3647 3171 3534 3226 3239 3855 4935 5837 6007 3414 4039 4236 437.3659 C27 H51 N O S 5425 12852 12329 3108 7587 7026 53354 48787 5123 4400 57576 58428 35494 34803 4632 4108 501222 508643 3835 3775 15491 19820 6490 5776 5362 11183 11696 24220 22554 100040 106331 12907 12888 4295 4125 6470 6227 4403 28411 27890 8117 7918 14557 6235 6326 13110 13256 13103 12990 13000 38956 38402 8479 12003 437.3725 437.4117@2.145 2414 437.4117 437.7147@1.194 1713 437.7147 438.0639@0.84400004 2888 6065 5289 438.0639 438.0949@3.0525 406422 411073 438.0949 438.1447@2.005 262172 299655 438.1447 438.1541@5.595 5319 438.1541 438.155@5.006 13113 438.155 438.1551@2.0061667 13564 20241 27205 69469 75754 438.1551 438.1557@5.6715 3002 14230 438.1557 438.156@5.0769997 52642 38905 438.156 438.1565@1.9173334 109531 56891 302249 301437 3372 21603 24207 48525 48970 438.1565 438.1566@1.421 6413 438.1566 438.1573@4.5255003 7774 6514 438.1573 438.1597@1.4937501 195945 188753 107384 114262 12050 5156 13736 14260 438.1597 438.1604@1.207 143107 146362 79926 100389 9216 9629 8892 20904 22369 438.1604 438.1608@1.83 408297 439367 375709 368347 22187 21828 438.1608 438.1706@1.859 4191 5903 438.1706 438.1991@1.11 5354 5012 438.1991 438.2087@1.109 15692 15261 438.2087 438.2362@2.03 13496 438.2362 C26 H46 O3 S 335503 323545 44103 130073 165059 17386 23812 23872 52026 87057 293548 235126 18106 13884 4258 77781 208734 218734 397521 364940 14809 23149 174662 184756 31894 29271 14794 16519 1723 206614 228124 387130 389830 425373 541211 544557 647069 330582 437164 206680 149365 73378 67478 43827 43661 64915 438.3179 438.3218@0.9806 72928 76103 107423 4807 6322 438.3218 438.331@1.09388 53907 58121 2636 2918 29440 5609 5607 4835 82108 41020 59811 4997 41056 49910 12233 74730 3917 38635 41426 49026 54466 64720 52005 5772 7879 438.331 438.3401@1.1657 2742 101903 130942 2630 1841 2958 3259 2779 111020 3574 438.3401 C25 H46 N2 O4 128149 124085 4475 69612 81689 3260 3180 2754 66476 107512 78381 125665 69118 125773 106170 130897 28288 13092 69359 66918 35002 36918 52801 39416 38558 47772 48013 55186 51719 51245 23414 108591 43936 78794 76521 77805 115962 100038 77583 9154 2645 3947 2692 3410 3276 85005 63795 209200 17856 75719 77297 43831 86274 112968 3456 110739 59013 68300 82965 76985 438.3405 438.3498@1.2037274 5236 5196 2839 3343 4136 1891 1915 2959 2897 6834 3692 438.3498 438.3709@1.264 3211 438.3709 438.6993@1.025 1996 438.6993 438.7825@4.9902635 2186 2308 2894 3373 1524 2117 2385 1776 1591 1621 1635 2495 1239 2188 2504 1665 1544 1340 1716 438.7825 439.048@5.651 2005 2087 439.048 439.0933@0.727 25516 25603 439.0933 439.1008@2.0425 13057 49690 439.1008 439.106@1.285 439.106 439.2031@1.142 1870 439.2031 439.2241@7.0004997 60522 61063 439.2241 439.2322@5.855 2070 439.2322 439.2604@5.0755 2767 2202 439.2604 439.2608@5.328 1602 439.2608 439.2635@0.7988 1996 2697 2774 12193 11921 439.2635 439.2733@6.70527 5817 4934 2005 3622 5105 4450 4196 12368 10829 5036 4790 2964 4243 2870 3205 3045 2776 7057 5691 3578 4439 9311 10184 7950 6743 5597 439.2733 439.3093@1.135 2755 439.3093 439.3126@4.2572 6032 5338 4239 5141 4733 439.3126 439.3213@1.019 3957 1807 439.3213 439.3219@1.1404 4391 3858 3199 1944 3051 439.3219 439.3315@1.1489999 2655 2940 5086 2571 439.3315 439.3331@1.18575 3240 2693 12081 32581 36685 2099 13576 6126 439.3331 439.3332@6.0916667 2624 2760 2337 439.3332 439.3458@1.2053335 2513 2782 3478 5141 4625 3468 2879 2847 2458 4047 2654 2535 1427 3639 3224 439.3458 439.3477@1.0692 22187 9856 17413 11334 3486 439.3477 439.3525@1.202 4961 439.3525 439.3583@1.1496667 2968 5754 4713 439.3583 440.0728@2.2395 30838 28698 440.0728 440.0752@2.484 5790 6075 440.0752 440.0936@5.612 1267 440.0936 440.097@2.0366 82870 18777 32890 126841 14512 44569 23350 21425 29571 19022 18690 21425 23689 21824 20706 440.097 440.1365@5.9835 3391 3247 440.1365 440.1487@2.009 6236 440.1487 440.1998@1.165 4352 440.1998 440.2077@1.15575 16441 16889 11694 11965 440.2077 440.282@1.156 4269 440.282 440.3002@1.0225 9808 9521 440.3002 440.3133@1.1283332 3531 2537 2174 1305 8937 3313 440.3133 C15 H40 N10 O5 10544 5831 10007 1266 3396 6191 1897 14659 3775 436838 436775 2449 8245 5801 3268 3552 4276 8370 2869 1540 2165 4300 1706 4112 479220 496469 3108 9405 4538 4437 4919 5067 5073 3301 18934 6360 2376 4463 4136 2693 5907 5197 440.3196 440.3265@1.133 1892 440.3265 440.3269@1.1875333 3975 11191 5972 1943 3898 1934 2037 14568 5181 5959 3686 2708 3897 9633 3811 440.3269 440.3305@1.1436249 6079 8357 3753 10582 14758 5317 37630 36198 65325 4307 64874 10014 2119 3977 3122 440.3305 440.3435@1.131818 3363 19472 2041 2185 55051 72321 3086 2646 6244 53521 50112 440.3435 C26 H48 O5 2883 46522 40502 64473 65469 43204 49335 39721 42769 69844 58553 36405 35746 58954 60473 59998 58607 43288 57443 62275 60609 59444 79414 86869 45577 29247 55343 27625 27459 32926 40236 55672 53805 58240 57828 59697 59213 47465 49417 39449 9695 33883 55822 42948 68769 59767 70957 78835 64757 41501 46439 53017 6525 38623 49714 70263 440.352 441.0688@1.1389999 3474 3987 2009 1850 441.0688 441.1096@0.82850003 4754 5159 441.1096 441.1548@1.4304445 12916 14122 6118 3413 7872 17011 7509 9296 15746 13669 12045 9766 9842 9071 9926 10266 7212 441.1548 441.1584@1.212 6649 441.1584 441.1588@1.3725001 17675 3715 2130 4116 441.1588 441.1783@3.396 20090 441.1783 441.179@3.3465 12239 40471 441.179 441.1934@7.18075 5759 5815 16172 16020 441.1934 441.2064@0.9075 9937 10139 441.2064 441.2076@1.7490001 2424 3386 5320 5443 441.2076 441.2322@1.978 3793 441.2322 441.2545@1.425 5967 5830 441.2545 441.2996@1.023 16195 15945 5840 2298 441.2996 441.3098@2.3144999 7076 5269 441.3098 441.3102@1.1188571 1371 3903 5527 2023 2788 2882 3105 5427 8091 3549 1789 2688 2086 441.3102 441.314@6.0080004 9399 7246 441.314 441.3197@6.034 2330 441.3197 441.3201@1.1570001 3005 3518 2639 441.3201 441.3204@1.17075 2793 3147 3265 4002 3802 3548 5363 2560 2570 3359 1798 2407 441.3204 C27 H43 N3 O2 3252 2151 2776 2809 2517 3744 4215 4302 3261 4694 5250 1952 2407 3040 2269 2449 10073 6046 3091 2764 3203 2331 3146 2438 3517 3230 7766 3762 5423 4785 2165 2805 2571 2289 2877 4219 3974 2604 2218 2355 2229 2288 2744 3045 3088 3738 3879 441.333 441.3348@1.1654999 2162 2331 441.3348 441.3454@1.0749999 6317 4336 10452 441.3454 441.3475@6.0586843 2543 2629 5235 6335 4008 3455 3835 4936 3895 4588 5046 4200 3708 2894 2739 7497 6132 5472 6846 441.3475 441.3536@1.0589999 18051 14192 16557 11066 15348 15429 15332 11098 7796 8343 9170 14122 13820 12317 12840 10903 9410 42024 9548 11772 12290 9448 9344 20259 441.3536 441.3706@1.048 4609 441.3706 C11 Cl2 O7 S4 4170 4385 3557 3278 3982 3821 3344 3467 3285 3397 3688 3571 3583 3844 3953 4294 3428 3235 3717 3818 4133 4454 4320 4620 3909 3606 3561 3165 2978 3465 4239 4167 3243 3621 3714 3750 3323 3738 3399 3775 3333 3661 3241 3398 3397 3499 3423 3444 3458 3259 4131 3674 3259 3063 3754 3229 3361 3413 4055 4099 3445 3823 3499 3559 4200 4261 3518 4010 3390 3474 3296 3111 4011 3782 3207 3368 3860 3345 3675 3599 3854 4054 3871 3569 3787 4164 3607 3619 4162 3384 3480 3723 441.7892 442.1463@6.8695 5239 5214 442.1463 442.1862@3.348 99505 442.1862 442.2016@4.093 81153 80271 442.2016 442.229@4.083833 13186 13245 35818 34869 4747 5243 442.229 442.2581@0.929 4974 442.2581 442.2733@3.1747499 11420 13663 5661 6551 442.2733 442.2733@3.407 3259 442.2733 442.2821@1.152 2341 442.2821 442.2994@1.13775 2292 4966 3148 2305 442.2994 442.3112@1.157762 22175 18939 6246 4583 5010 14918 6591 6111 5653 3807 2961 5098 5569 4888 2631 3302 3675 6013 8573 3051 3674 442.3112 442.3183@1.1629131 2756 5757 6217 4424 5248 5177 2338 7274 5819 5036 8819 13341 13175 3219 4846 2730 3084 3453 4696 4075 5168 4317 2487 442.3183 442.3231@1.207 2962 442.3231 442.3253@1.1664118 7188 3738 3753 2298 1995 6032 6157 6201 4020 4172 3560 3386 3267 1806 1834 3025 2173 442.3253 442.3331@1.1190001 6294 3699 7080 2445 442.3331 442.34@1.0719999 4816 14774 6718 5369 442.34 25-Hydroxy[26,27-methyl]vitamin D3 3beta-(1,2-epoxypropyl)ether 17266 14114 11884 5466 14397 12849 49880 33261 25229 17264 6953 9490 20623 19634 12669 19015 14828 32358 20262 61921 59263 26767 25221 5202 8491 13100 13265 29558 30654 8929 7554 7053 6206 7319 6405 9647 4456 8387 41660 43429 6215 21183 33264 30730 4633 19157 8307 12866 8589 25625 17353 4221 38261 43736 6237 8766 7502 LMST03020624 442.3432 442.3594@1.0467333 4269 5540 3505 1917 5288 5135 4025 6119 6249 54105 22768 6803 4545 5147 4321 442.3594 442.3646@1.0398333 1653 2287 4176 4571 4130 7213 442.3646 442.9691@4.726 2675 442.9691 443.0387@0.92649996 3112 3037 443.0387 443.1087@1.5238461 3597 2139 4865 5768 3727 3177 3069 2999 5147 5503 4396 4318 5529 443.1087 443.1683@1.188 3280 2982 443.1683 443.1997@5.536727 5914 5915 14992 13858 4538 4348 3405 6752 6265 3799 4214 4644 4228 3992 3722 7594 7647 3189 6966 6820 3504 3895 443.1997 443.2184@3.7205 14298 15150 443.2184 443.2197@2.937 2215879 2219710 443.2197 443.2405@0.88250005 3962 6092 443.2405 443.2918@6.344 10060 10206 443.2918 443.2922@6.4695 7471 6729 443.2922 443.3068@4.885111 5892 6648 3942 4266 3051 8099 8371 4406 4368 4628 5076 2869 2962 4869 5397 2724 4132 4061 443.3068 443.3163@1.1725 1807 4171 2654 2667 443.3163 443.3236@1.1804186 3026 10826 2468 2029 3738 3544 2006 3990 4423 2827 2707 3834 6133 6200 3187 3438 3187 4175 2485 3122 2521 2287 5479 3742 2428 3147 3036 4266 3729 3361 3333 3462 4473 4412 2935 3294 2528 8425 2625 3420 4084 3037 443.3236 443.3283@5.96 3770 3714 33621 33114 443.3283 443.3289@5.6975 7252 5783 443.3289 443.3325@1.1294999 1557 1578 2222 2296 443.3325 443.3341@1.1131428 3382 2653 6161 2889 2945 2494 3125 443.3341 443.351@1.0874001 4711 12445 6600 6769 3038 443.351 443.3591@1.0723125 3936 5001 8170 2655 5028 4900 7233 5401 2057 11630 8253 4752 7438 5205 4378 8407 443.3591 443.3696@1.050441 2814 8959 4887 3359 2953 9218 8206 7448 7390 2327 5334 5636 4692 7780 2085 5345 3226 3878 3103 2272 4885 5800 2975 9960 10043 8284 14495 7837 24036 6442 5924 4368 3715 4087 443.3696 443.3791@1.0453334 3521 3799 3710 3152 3601 3835 4763 5997 5366 443.3791 443.3952@2.927 15463 443.3952 443.4707@2.9235 18314 14236 443.4707 443.7018@5.536 5400 5215 443.7018 C17 O15 5142 5391 5947 5625 5833 5698 6992 6037 6413 6019 5050 5058 5305 6354 5836 6153 5558 5559 6036 5452 5235 5851 5793 6154 5585 6381 6595 6115 7154 6934 5229 4617 5470 5539 6193 6998 6547 6623 7218 6949 5728 5886 5162 5569 5753 6286 5687 5478 5994 6295 6573 6338 5531 5129 6011 6107 6266 6013 6454 6093 6151 6336 5998 5447 8318 7241 6495 6196 5040 4892 6360 6221 6846 6564 5334 5631 5705 6505 6420 5615 6288 6579 6393 6446 6025 6610 6813 6105 7412 6978 5458 5303 443.9243 444.0966@0.7164 2001 2547 2716 2217 1960 444.0966 444.1117@1.0037501 9599 12092 10665 9922 444.1117 444.1499@2.02 5010 5456 444.1499 444.1556@2.862 6695 444.1556 444.1566@1.75 2710 444.1566 444.1586@2.068 7554 444.1586 444.2489@1.1276666 3336 3307 9427 444.2489 444.2633@1.207 2731 444.2633 444.2824@5.679077 2106 2538 6908 3602 3211 10799 8805 8882 8958 11269 13177 16785 7752 444.2824 (23R,25R)-1alpha,25-dihydroxyvitamin D3 26,23-lactone / (23R,25R)-1alpha,25-dihydroxycholecalciferol 11429 10115 8116 7909 14029 13707 12053 12503 11323 12528 9411 8338 27345 26040 55174 56424 8522 2662 19771 21268 16386 16479 23859 24688 7712 10636 9542 18638 18541 10938 9303 16339 16923 13125 14183 17810 18293 9445 9951 15615 17582 28518 29571 12368 10803 9907 9815 12047 14184 12068 9548 13278 12555 25409 23236 10173 9427 11524 12586 7746 7297 14422 13944 10971 9819 8659 9620 8810 8194 10370 10911 8337 5454 7448 14869 13924 10859 8861 2294 9700 LMST03020122 444.2858 444.2877@1.173 5059 3476 6960 14580 444.2877 C24 H45 Cl N2 O S 4047 37252 35205 16329 16887 101937 112759 14126 14435 12728 11813 17091 17323 25264 26689 21864 21177 9959 10896 31341 14553 17251 21620 24130 27730 87448 85275 88464 86653 14405 11028 50667 50055 4210 854639 633368 15140 15517 18503 19369 35782 37829 28903 29241 5709 10564 11432 9620 13244 10613 10328 13037 13398 11979 12968 11464 27001 24949 20699 21125 14940 14184 15737 444.2957 444.3014@1.15645 7385 5748 7410 5836 7652 8641 4382 3590 3520 6549 7767 4065 1222 4692 5200 6192 8788 10926 6638 7510 444.3014 444.3021@1.152 4511 444.3021 444.3124@1.1825 5701 13584 444.3124 444.3216@1.115 10213 444.3216 444.3333@1.0771277 20160 166205 105881 88773 107600 9330 145687 8545 9778 5940 10483 4073 5107 14327 63593 63047 26824 150192 11614 11488 125642 4040 85351 10053 90454 13723 18523 153262 8595 12706 16000 18904 6019 15493 17442 105789 14225 125516 12914 41284 115939 111990 156325 24024 84295 11545 444.3333 444.3377@1.0601317 9050 15138 18905 135860 9282 13908 153913 15870 7955 137788 9473 88768 10353 9831 40025 39847 8365 2939 15834 15364 10610 4120 101194 100356 12747 12383 13676 143502 5472 9526 19523 4768 118410 5415 20790 12015 99906 6924 444.3377 444.3472@1.0356923 6711 4383 7319 10859 7560 5848 9950 11268 6180 6145 7290 6049 3272 444.3472 444.3491@1.0321364 5747 126362 7436 3442 6034 5830 7005 7774 7444 4914 5514 3795 5208 4803 6371 5253 2399 15243 8208 15055 14817 5766 5244 4743 10758 9173 6491 6602 6563 6153 6114 6283 20039 8687 5704 5463 12293 11501 8375 7793 8656 16846 10352 444.3491 444.3631@1.018 1051 444.3631 444.725@1.157 2400 444.725 444.7652@4.35325 3818 4555 3088 3114 444.7652 C10 H2 Cl3 N3 O S5 3537 2758 4894 5660 4327 4890 4103 4716 9452 10202 23206 21785 7673 7352 6276 7516 10254 9883 4328 7680 6244 3808 3586 6130 5898 5071 4965 8050 7541 6530 6993 11704 11833 4941 4001 5931 5586 3898 5025 4689 11184 10308 4524 5240 4834 5187 4125 6268 5801 5792 5854 444.7872 445.1589@1.5358334 7102 7290 6087 5723 24144 22855 445.1589 445.1589@1.714 8789 445.1589 445.1607@1.773 3458 445.1607 C26 H27 N3 O2 S 2747 1753 2308 2920 2837 2324 2070 3410 2890 2912 4006 6900 97301 99231 2232 3420 2589 2871 3092 3925 1372 1927 1814 1984 2487 2082 1994 3964 1899 2290 3322 2572 3987 7060 445.1908 445.195@1.1975 2470 3522 3011 1664 445.195 C16 H39 N5 O7 S 5359 5078 6527 5694 6995 6687 7460 7833 5352 5550 5456 5758 3888 3862 7328 7148 6735 6222 10601 10042 5304 4376 17712 18049 6235 5950 5868 6053 5596 5916 14626 14703 9685 8890 6507 6101 5655 5500 3259 3353 13957 13629 7961 8909 5155 5519 4627 4385 5586 6262 7507 7171 9563 9594 13159 14447 6203 6972 7622 7462 4187 4413 6083 6159 9847 9210 20671 20177 6069 6338 4998 4730 5189 8334 5537 5973 5894 6024 5953 14793 14954 13087 12417 6631 6219 445.2562 445.2741@0.935 4942 4549 445.2741 445.2827@1.2165 1676 3063 445.2827 445.2862@2.7218885 6571 15793 18568 7104 7924 8089 12580 6783 9070 445.2862 445.2863@2.6404 6029 4212 5314 7681 4090 445.2863 445.2912@2.968 9518 4542 445.2912 445.2988@1.207 3100 4103 445.2988 445.3032@1.2060001 2633 3976 2581 5293 3543 3753 2234 2133 2432 8382 445.3032 445.3073@6.4744997 26106 25664 445.3073 445.3129@1.2061666 4603 3536 2295 2521 2262 3403 445.3129 445.3152@5.4025 1976 3980 445.3152 445.3182@1.1644286 3173 2848 1707 2423 2937 2792 445.3182 445.3224@5.3443336 3140 5207 5463 6317 6209 6175 7158 6605 7038 3881 2394 3932 445.3224 445.3355@1.0963333 9226 2698 2594 2467 4770 5421 4355 1994 2251 7231 1860 6769 3287 2008 445.3355 445.3402@1.0805 4210 3033 445.3402 445.349@1.0534999 8227 4772 445.349 445.364@1.0456363 4752 4542 9787 6326 8722 8290 2414 2977 2028 9035 9124 445.364 C21 H47 N7 O3 4547 3237 3821 6244 5630 8892 9893 7799 6791 9269 8114 2969 2152 4943 4900 3587 6078 9337 8362 6064 8747 9276 5718 4380 5112 9483 5348 5826 6522 3819 4349 5224 5707 9228 8428 7494 7573 7078 7051 7363 2527 2169 5075 4670 6603 445.3693 445.3827@1.038346 7426 7521 5811 14114 14669 4876 5692 5912 10897 11598 6820 12020 13028 8319 8746 14738 16533 15408 11030 11340 12184 12740 13201 12867 6207 445.3827 445.5093@6.1569996 3906 3138 445.5093 445.8233@6.149 5105 445.8233 C18 H4 Cl2 N2 O2 S3 1729 1451 1603 1591 1555 1621 1668 1569 1832 1599 1685 1887 1281 1709 1654 1408 1501 1614 1732 1498 1534 1511 1488 1491 1554 1861 1833 1840 1749 1748 1652 1596 1625 1731 1675 1533 1459 1561 1750 1591 1438 1602 1395 1508 1727 1802 1666 1860 2001 1819 1743 1466 1508 1563 1595 1650 1284 1371 1814 1718 1618 1549 1507 1646 1686 1641 1578 1461 445.8809 445.8971@6.161 3558 445.8971 445.977@6.162 1718 445.977 445.9935@6.154 3708 445.9935 446.1039@0.82764286 6941 7565 6772 6394 11355 11978 25179 24715 29762 30645 10620 15737 15793 446.1039 C16 H18 N10 O2 S2 1443 1653 1718 1432 2059 2282 2288 1819 2578 2113 3202 3555 1838 1814 4621 4555 2020 1936 3725 3248 4810 4376 3369 3307 1629 1828 5308 2650 2913 1423 1762 2032 2939 2603 4190 4377 2080 2031 3999 3552 4687 4388 4476 4381 3709 4130 3432 3284 3704 3438 2735 2980 1595 1609 1547 1703 3840 3821 2379 2243 2711 2691 3000 3188 3530 3766 3903 3772 3122 2290 3211 3715 3312 4321 4350 4628 5404 5584 4372 4347 2887 3459 3937 4136 446.1054 446.2048@1.172 2367 1859 6151 10109 3057 5947 11688 446.2048 446.2084@6.824 3100 446.2084 446.2089@1.14 2341 446.2089 446.2265@2.917 7806 3600 446.2265 446.2916@1.189 2454 3737 2084 446.2916 446.298@2.709 3398 446.298 446.3@1.017 2870 446.3 446.3016@1.202 8507 5999 3629 17394 8915 3175 7576 7342 4174 4099 10827 446.3016 (23R)-1alpha,23,25-trihydroxy-24-oxovitamin D3 / (23R)-1alpha,23,25-trihydroxy-24-oxocholecalciferol 3129 3091 14986 2962 8182 9392 5019 5507 53270 53921 23324 23730 4294 5855 4352 8274 5532 18707 32365 5661 6592 3786 3497 21080 20214 12154 11531 19322 11951 5668 5963 21135 15028 11895 15090 3660 9319 51060 48670 7576 4086 3273 2608 15852 7358 12640 5457 7112 10773 6291 3289 7088 6039 7625 3148 3286 4946 11544 5636 13755 1575 1857 11324 5250 LMST03020194 446.3059 446.3148@1.156143 1920 9286 3926 5245 6439 15128 10659 446.3148 446.3258@1.1845001 6119 5318 1927 2372 446.3258 446.3375@1.1336666 10928 4239 26079 446.3375 446.34@1.113 24635 446.34 C19 H43 Cl N10 74881 128015 26208 81764 18983 14978 29279 9210 29082 176818 52302 65795 28413 165286 156732 6251 170004 174012 130824 27526 186920 205803 37244 30255 105435 37939 121546 82546 66483 65673 22373 96857 194373 48976 24011 153591 44285 95351 59731 42675 72736 155052 116187 84432 146126 66696 69679 43820 61693 77209 85885 73748 217214 138768 148928 37265 99006 234597 160738 148618 12040 83755 76837 120913 113560 446.3427 446.3434@1.0509 9630 129174 204564 191980 20472 18928 139772 164069 7575 446.3434 446.4056@1.0035 1741 1811 446.4056 446.5086@6.1514997 5994 3211 446.5086 446.7626@5.69 3721 4017 446.7626 446.8657@6.154 2606 446.8657 446.9713@0.8 3669 446.9713 447.0871@5.4984994 1423 1663 1547 1869 1813 1580 447.0871 447.1007@0.773 2478 447.1007 447.1517@1.027 6065 5041 447.1517 447.1935@6.641 7035 6899 46476 48817 15179 13811 22671 21804 447.1935 447.1937@6.1755 9475 10261 4002 4181 447.1937 447.2052@4.7665 3285 6387 447.2052 447.2098@4.788 6268 3782 447.2098 447.2189@6.677 3703 3940 447.2189 447.2271@1.209 3592 447.2271 447.234@1.1578 5697 6064 6564 6303 15337 12128 9460 8968 2228 5345 5102 3721 5721 5472 6936 7921 6941 10674 10073 9768 447.234 447.2371@1.156 3143 447.2371 447.2891@1.199 1975 447.2891 447.292@1.1684 1462 2099 3784 2133 3809 447.292 447.2993@5.481 5498 4853 447.2993 447.3019@5.6455 5667 5583 447.3019 447.302@3.8021765 32160 31292 8744 6254 29116 30086 16474 27624 25988 27198 27052 25183 31796 34246 7321 9769 6618 447.302 C23 H45 N O5 S 19198 19327 17638 16676 16523 16328 28723 27742 38852 38007 29764 29149 9283 9967 5236 5547 8181 9687 12738 12992 11629 10125 6214 5598 13283 13948 68302 66109 23175 22394 5437 6443 20901 21491 21735 19991 20193 20524 20739 21404 57658 56960 18923 19353 18408 17885 5825 6437 9390 8611 7925 22969 22698 40649 39581 447.3023 447.3041@2.764 5550 7279 7083 447.3041 447.3049@1.2 4363 1605 447.3049 447.3137@1.143 1782 1596 1609 2052 2561 3024 447.3137 447.3237@1.143 2125 447.3237 447.3358@5.344 1546 447.3358 2-docosanamidoethanesulfonic acid 8878 7531 8462 7796 6734 7150 7437 7860 4039 4219 3924 9340 9026 4755 4445 11568 11547 12865 12237 10978 11259 7591 7514 8091 8420 7132 7793 11476 11595 7167 7782 5970 3201 9260 9334 11864 18099 11014 11588 13587 13910 11615 11524 7240 6713 6964 7783 8279 8519 14505 14398 4358 5025 12757 12022 3620 3369 6116 5733 6667 6517 18438 18751 6962 6922 12794 12703 6704 7098 4104 3509 11389 12070 14040 14649 14520 6394 6853 9959 8204 9938 9630 9616 7173 8080 5010 12054 3900 4865 447.338 447.3402@1.0932857 4808 9253 4365 6121 3398 4868 8685 9493 8923 8723 5292 6575 6562 14832 447.3402 447.3501@1.055 8113 447.3501 447.3599@1.0425999 5799 5669 5351 1644 3057 447.3599 447.3778@1.048 4758 7463 447.3778 447.3865@1.0409999 4570 2622 447.3865 448.1035@2.087 8256 6739 448.1035 448.1101@1.1675 3868 3909 448.1101 C16 H24 N4 O11 21947 20456 24285 23398 16453 17188 27684 30558 3985 24413 13302 10762 9912 9351 10826 11714 12820 13289 7437 19307 19429 14003 23069 22553 22800 22488 25535 25449 15321 16107 9673 9145 10543 10007 10857 13035 12813 11938 11690 11548 9898 14138 13481 15330 30848 31919 24290 24413 14199 21593 20026 15100 15627 13734 14151 14356 13641 13259 13122 10624 10520 10973 15647 15254 14321 13691 2717 16560 14891 14397 448.1442 C25 H24 N2 O4 S 7591 8753 11939 11672 8608 10611 7307 6857 7699 8123 6612 6787 3699 3793 10431 10071 5066 5530 6492 7000 4418 4781 8516 7557 5550 6129 5674 6364 7953 7398 7745 6357 8571 9560 4666 4193 5297 5941 4934 5097 5404 5740 11893 11981 6323 7303 7481 8246 5074 4563 7418 7702 10818 10316 7113 8824 8911 8401 9247 7739 5655 5996 5408 5164 4674 4233 4266 4234 5593 4892 4787 4442 3568 3100 3338 5466 4270 5154 5573 4831 4630 4334 3579 4006 5054 5069 5423 5373 448.1465 448.1738@4.242 5360 448.1738 448.1742@1.5907143 9969 9493 5458 6078 4286 4476 4478 448.1742 448.1746@2.9425 1374293 1392100 448.1746 448.1751@4.185 3988 4335 448.1751 448.1855@1.112 2764 2549 448.1855 448.2075@2.2154999 6768 6672 448.2075 448.2501@0.871 9350 448.2501 448.2548@1.178 1893 448.2548 448.2801@1.176 2657 448.2801 448.3034@1.1685715 1958 2435 3514 4919 3221 2153 1696 448.3034 448.3092@1.1682501 5434 5128 3571 1776 448.3092 448.3161@1.1721429 2212 2053 3901 3427 7117 3833 3197 2772 6477 5457 7558 5126 2149 3323 4918 6749 4785 6413 4869 5187 2739 2064 2945 1623 12614 2673 2554 8357 448.3161 448.3192@1.1896666 5815 3361 3531 448.3192 448.3211@1.1536111 2225 2279 4210 1757 22531 2557 2144 2157 2099 3776 2836 3761 1810 1713 1642 2891 5650 10383 448.3211 448.3352@1.066 6919 3471 448.3352 448.3393@1.213 3060 448.3393 448.3535@1.102778 25955 34544 15691 1739 10901 157520 31613 49385 24843 448.3535 448.3732@1.1465 6278 11472 448.3732 448.4098@1.001 2476 448.4098 448.4166@1.001 2941 448.4166 448.4267@2.961 5166 448.4267 448.9561@6.840572 2847 4518 4966 2978 2481 2413 2644 448.9561 C17 H11 N11 O5 4527 6224 6959 6975 8329 7175 9408 8520 11238 10745 7531 9093 7479 6692 3633 4926 5267 7109 7622 4561 7568 10213 4695 5228 10043 9560 6362 6292 6761 8660 9106 8951 7116 6782 7072 6440 4212 4220 6849 7338 5681 5307 4374 8300 7851 5972 4471 9051 10153 4722 449.0933 449.1451@3.6785002 12747 10075 449.1451 449.1764@1.4325 16445 16061 449.1764 449.2091@1.114 3573 1977 2656 449.2091 449.2099@6.05325 10829 11300 10664 10173 449.2099 449.2216@1.12 2697 2333 449.2216 449.2302@1.11175 751918 759747 1823 2078 449.2302 449.2309@1.1684 4117 3909 25407 24006 1391 449.2309 449.2353@1.778 9023 449.2353 449.2374@0.871 8506 449.2374 449.2399@1.13 2665 2040 3283 4729 449.2399 449.2633@1.15 4924 4040 449.2633 449.2967@1.127 2285 2700 449.2967 449.3079@1.1014001 3091 2285 2824 2538 2786 449.3079 449.3175@4.625182 10823 10964 8801 8161 10168 10071 10978 11398 10570 13030 11970 449.3175 Glycoursodeoxycholic acid 17851 17907 3272 25082 23338 10911 12578 27283 28565 7580 57867 17010 16659 20461 20686 7942 8850 14052 13457 33949 34711 11361 11490 5578 5399 15600 14697 21665 21207 18227 15852 21103 21874 4266 4117 8027 8326 7096 7347 4576 4541 15569 15448 11191 10075 7899 7888 17986 17666 8323 7720 6609 6644 83000 6461 42861 45611 9676 10211 2509 5856 6204 3301 28078 27258 20558 21817 20919 6736 6698 11740 12986 70691 71186 HMDB00708 449.3176 449.3177@5.205 15095 12647 449.3177 449.318@4.8454285 50002 49808 56458 3066 140623 136511 82895 449.318 449.3202@1.1134444 2250 2601 2254 3673 2614 2960 2420 1745 3441 449.3202 449.3307@1.132 1795 3860 449.3307 449.3327@1.1275 2281 1604 449.3327 C26 H53 Cl2 N 4143 4494 4211 4566 4611 3703 4153 4060 5365 4890 6238 6283 5620 5152 3984 3845 4101 4087 5485 5786 3918 3899 6695 6479 5335 9096 11854 5644 5591 6422 6594 2903 4166 4163 4176 4490 6670 6781 2535 4235 4271 3653 4104 2805 8261 8308 3602 3751 7243 6489 2931 3280 6249 5855 6235 6198 6641 2309 5501 5991 5945 4592 4288 4807 5650 5999 449.3524 449.3552@1.0664836 14939 16674 17849 18393 21760 21630 21619 21852 12108 16284 15620 17165 11394 10975 19196 13824 19462 16880 20805 18711 15465 15779 16219 14735 13225 16531 19274 14604 12229 2726 449.3552 449.3574@1.06 14752 449.3574 C26 H47 N3 O3 24337 4608 3652 3104 2818 7791 2831 1714 3602 2257 3655 3050 2312 3040 19608 2326 3189 4425 3572 3590 3668 3159 3341 1691 3834 2757 2554 3217 2733 3747 3596 3829 449.3628 C31 H47 N O 8571 3837 4898 3300 2655 4011 3739 3219 3410 3902 4938 5087 10514 10601 7774 7649 7111 3655 5510 3627 3654 11471 11444 3831 4377 2818 4401 4233 4297 5713 4698 5048 2662 4430 3289 4750 4943 3438 3593 5487 4704 449.3661 450.1502@3.365 6563 450.1502 450.2116@6.1785 3286 2926 450.2116 450.2194@1.204 10628 450.2194 450.2976@1.144 4108 450.2976 450.3039@1.1153333 6761 3807 2336 450.3039 450.3186@1.13605 3366 3969 3423 7727 4694 15640 15309 4080 8457 2337 3482 4566 3515 3806 2146 2831 5003 2812 3395 450.3186 C24 H43 Cl N6 2531 4864 5579 3582 3713 7667 13604 9223 4887 4253 7637 5868 5425 4905 9168 5420 3082 10543 12760 3272 2477 1959 1602 6936 5455 8918 3568 4329 3086 3768 4813 4715 2090 8228 3163 3704 9030 5040 5694 12888 9313 9825 13167 2161 7610 7543 3488 2339 10646 7437 3191 4339 5264 4518 9718 4599 450.3307 450.3321@1.1601667 8667 4925 4349 3850 2166 3761 450.3321 450.3344@1.17 5918 2949 450.3344 450.3635@1.0665294 73895 87842 92259 85620 35354 41991 42809 33869 34497 44020 79152 81693 68219 26416 33020 19379 21780 3142 27780 26291 9709 34160 59892 131938 105226 37490 124137 28927 29767 80435 67440 86341 91231 450.3635 450.3653@1.06575 134416 96226 89366 34029 86472 127959 94412 40956 450.3653 451.1886@3.58125 33863 34706 330739 236362 451.1886 451.1891@3.49575 60197 58567 579729 447839 451.1891 451.2244@3.8769999 15766 15164 451.2244 451.2245@3.696 87034 87948 451.2245 451.2759@6.9466925 3221 3243 5883 5447 2267 2507 2373 2532 3053 3307 2892 2762 2578 451.2759 451.2965@6.024 13766 12398 451.2965 451.306@1.1373333 4209 3637 2189 451.306 451.3195@1.10025 7673 527877 531527 175278 173876 2041 1671 451.3195 451.3197@1.0907199 1947 2539 5623 8585 73020 65157 4061706 4018509 92939 92225 2680 9846 1790 2462 229405 529415 516778 109952 105571 3226 2361 2542 2388 23350 3090 451.3197 451.3353@1.1115 12801 7819 451.3353 451.3397@1.0835456 3117 24697 19315 6833 14430 27038 4670 11263 19012 18626 3769 12326 12593 16307 4216 20355 6519 4239 4700 4740 15625 20236 451.3397 451.3484@1.0819001 7543 3572 15329 19890 11858 7602 5363 16359 11148 15673 451.3484 451.3531@1.0736668 14449 14745 9047 26328 27095 1926 17045 16973 15972 8883 26548 15055 24538 23655 12821 451.3531 451.3584@1.0627273 12913 246248 349345 17560 17980 13525 265856 236887 22922 23298 11072 451.3584 451.3658@3.495 4635 451.3658 451.3675@5.3023815 3125 3151 1828 2988 2998 3104 2774 3018 3062 2498 3605 4000 3091 3245 2222 4104 3655 4132 2444 4361 4635 451.3675 451.3695@1.1484001 1956 9765 50309 51468 1868 3047 12957 2684 1771 20423 451.3695 451.3807@1.195 3822 2627 2918 451.3807 451.3893@1.1948 4208 5356 5330 20486 18299 451.3893 451.3907@0.976 23095 451.3907 451.4382@3.5019999 4102 4187 451.4382 451.8969@1.073 1890 451.8969 451.9273@0.81 2679 2940 451.9273 451.9626@1.047 15244 451.9626 C25 H8 O9 2301 2286 1653 1907 1696 1850 1702 2069 2663 1331 2133 2252 2240 2303 2839 2346 1650 1647 2065 1987 1988 1638 1906 2268 1886 2121 1957 1930 2192 1933 1806 2004 1592 1909 1676 1463 1639 1704 2078 452.017 452.075@0.965 14468 14319 452.075 452.1019@1.048 12271 452.1019 452.1377@2.2675 6821 9755 452.1377 C24 H28 N4 O S2 4610 4221 9318 4902 4730 5369 3309 6854 6093 6242 6233 4852 5335 3889 5714 11377 6677 4357 6374 9053 8451 2580 3932 3607 6009 4501 5806 5445 6362 6199 5037 10331 3725 4182 4305 6308 7209 7391 5407 5337 7923 7071 8533 9683 6095 5717 9408 4420 5125 4514 8490 3666 5774 4050 8248 6942 6910 6818 452.169 452.1765@1.1134444 16564 15340 15483 2271 5482 9724 7623 28883 27895 1255 5017 3992 9002 4971 10683 8206 6369 4755 452.1765 452.1822@1.1481332 10821 5924 20118 36801 7471 10309 3220 8375 12145 9219 4502 3293 4311 2308 2935 452.1822 452.1914@3.517 171344 452.1914 452.1919@1.152 2739 452.1919 452.2056@3.8385 5162 5825 452.2056 452.2087@0.9586666 5388 5822 43410 41783 6297 6909 452.2087 452.3019@1.152 2474 452.3019 452.3127@1.1445 3095 8303 4369 3018 6447 2818 3709 2828 2397 452.3127 452.3264@1.1430882 2683 4545 3520 2922 3331 9358 3944 4014 4664 4773 7687 6139 2383 3878 2478 9170 2879 4780 5537 3299 3427 3081 4546 9175 7251 2347 5100 2812 2859 2732 3775 3932 8184 3833 452.3264 452.3317@0.98225 10359 6925 17651 16445 3745 2830 5882 7339 452.3317 C29 H44 N2 O2 36370 37401 36308 37209 34552 34431 36687 33478 34962 34250 51708 50634 52601 51111 49306 50241 47527 47198 51006 52750 55102 51649 51138 53110 52519 51137 53008 53605 49441 51117 35158 32718 34906 37388 32489 33168 33263 32622 34181 32979 51678 50685 50469 49176 48770 52159 49646 51783 50434 48171 55823 54240 47037 49667 53574 51201 55955 56067 56266 53022 33376 34759 34046 36047 34180 34064 34510 35323 34456 33466 50554 54795 51751 53065 50818 50642 50293 45660 50759 49478 51319 54106 52521 50429 61269 62977 59079 58151 60562 63157 53538 57086 452.34 452.3445@1.1454166 7010 2962 2378 2974 2204 4780 26904 32284 9465 70584 77642 4061 1858 2305 4933 6563 2763 10607 6070 2242 10107 5389 7414 7213 452.3445 452.3447@1.0504999 63637 62880 452.3447 452.3466@1.104 9564 452.3466 452.3604@1.11225 8832 6252 58372 14519 452.3604 452.3609@1.4085 5309 10901 452.3609 C21 H49 Cl N6 O2 55483 55122 49715 55740 14278 13004 14360 46187 106555 106480 5895 85635 75069 24863 50915 27705 27857 34617 5087 8555 71220 31424 57811 69763 50505 65802 64616 61722 64345 18432 46299 50042 53049 2898 9582 9532 14849 59958 31151 27113 24843 97713 98207 82574 85247 60725 40440 14569 61241 83375 24949 24125 48443 60337 18734 60549 12713 11920 7117 43390 79960 49586 452.3617 452.3635@1.2018422 32162 32205 29288 28365 16253 15599 50121 17490 17432 5700 5654 61241 6985 7260 44756 45622 9500 11942 78928 452.3635 452.3714@1.064 33197 35219 452.3714 452.7066@1.055 6036 452.7066 452.761@1.055 5598 452.761 452.8807@1.05 7647 452.8807 453.0185@1.048 5858 453.0185 453.1001@0.80730015 3268 3251 4377 3486 3061 6336 6009 2500 2986 3532 3499 3889 3969 4032 3147 3067 4251 4261 2575 5228 5150 2008 5559 4916 12393 11133 3958 3815 4699 4245 453.1001 453.1191@1.20225 2212 2185 2105 453.1191 453.1937@3.507 25373 453.1937 453.194@3.591 9648 453.194 453.241@6.085 13341 13586 453.241 453.2434@0.836 3924 453.2434 453.2604@1.237 20479 20351 453.2604 C29 H35 N5 2039 2568 3293 3472 1986 2451 3556 3586 2516 3361 5333 7749 2936 4196 2179 2040 2830 2800 3250 4460 2541 2832 2286 2564 3732 3643 5281 3192 4425 4796 3627 3352 2468 1760 2193 1767 2412 2822 1767 1751 4164 2798 4014 3724 3651 3583 3376 4500 2330 2555 2643 2766 1707 2800 4716 2112 2694 3985 1967 2632 3586 453.2893 453.2905@2.791 6371 453.2905 453.294@1.0223333 1679 2344 1525 453.294 453.3051@1.02175 5881 4704 1563 1346 453.3051 453.3059@5.982 3641 453.3059 453.3107@1.012 1175 453.3107 453.3127@5.992 3723 3707 4311 3976 2621 7084 6681 45241 44986 3290 3357 3096 3718 4610 4958 4016 4066 453.3127 453.3174@1.0352857 8434 2357 1870 3906 3687 1273 1286 453.3174 453.3318@1.1326001 2732 1825 1704 1639 2157 453.3318 453.3491@1.1090001 4490 2231 6653 8149 9122 3879 6605 2342 15514 14728 22928 23368 11134 1494 1835 15120 3370 453.3491 453.3579@1.0983716 19940 17404 10567 13905 15024 19422 18561 7819 1574 3053 3900 14074 2296 17969 8971 13247 1728 2619 2364 12764 18080 18130 15541 14763 14436 11484 12319 10663 5484 12358 16011 15859 10839 11101 453.3579 453.3628@1.1033334 2023 18906 17878 453.3628 453.3645@1.1587143 5432 5032 11604 3458 3030 3052 2905 453.3645 453.3813@5.271 4354 4201 2435 3022 3960 3522 4392 5292 4955 453.3813 453.7064@1.041 2727 453.7064 453.766@1.045 4453 453.766 453.9327@1.046 3080 453.9327 453.9991@4.222 3314 453.9991 454.0278@1.045 3511 454.0278 454.0896@3.832 60370 61536 454.0896 454.0941@2.12 10446 9926 454.0941 454.1432@2.0455 18992 33988 454.1432 454.1563@2.0036666 5613 4519 3988 454.1563 454.1652@1.944 6014 454.1652 454.1848@1.153 17033 454.1848 454.1852@1.107 500021 471436 454.1852 454.2269@1.0675 19531 18017 4349 3985 40403 31076 20245 21478 454.2269 454.2783@2.8422856 10219 7914 5489 7572 4726 5620 6840 454.2783 454.3083@1.016 2447 454.3083 454.3265@1.1281428 3097 7358 22326 2082 4236 10214 14259 454.3265 454.3317@1.170341 2896 2637 15584 14891 11233 8570 10343 24565 24487 14383 11140 12141 11199 10445 35112 34180 14659 7811 2376 30202 17311 1711 18452 5085 5575 16796 6310 8242 8590 17065 16145 11958 10786 21264 22448 5786 3533 1742 22620 19615 7729 11115 9709 8248 11314 13743 22874 5306 13879 3875 14136 12067 13975 15032 15118 12289 12470 10610 12530 7847 1602 5418 8199 8635 9035 6417 15604 9191 8792 20151 9374 13788 11172 5986 11553 10805 8463 8769 11220 11838 3074 14805 10174 6765 454.3317 C17 H46 N10 S2 4231 5844 12511 3736 6527 8752 10066 15636 15273 8557 17008 6357 6811 6153 11744 8342 8748 2603 6167 15448 7227 5284 9331 5030 2779 4821 6002 6430 7734 7864 10889 21871 27845 18923 12924 8129 5633 9728 10221 11721 9931 11766 18701 3801 6800 454.335 454.3377@1.206 2839 454.3377 454.3409@1.1455 13956 16823 454.3409 454.3444@0.9705 4393 4749 7584 17165 454.3444 454.3552@1.0467144 12795 29367 18545 67820 33694 13556 14420 11728 6651 26075 4356 3864 10655 454.3552 C26 H50 N2 O2 S 34960 28368 45905 23398 53392 31546 29362 15623 21275 40656 15831 14892 26001 29178 16689 15786 42218 40950 19720 41369 32911 18878 24178 14862 18803 16155 27093 30020 20590 25305 32480 34488 15023 22728 23612 20330 19517 22922 29431 25584 35258 454.3653 454.5962@1.043 2883 454.5962 454.7513@5.6895 2766 2671 454.7513 C17 H22 Cl N7 O6 4267 4283 3458 3497 4011 3969 1656 5448 5404 3290 3133 5025 4981 3961 4393 4401 4424 4205 4411 4408 4467 3990 3401 5452 5141 8020 8088 4518 4546 3587 3587 6614 6480 3838 4310 5257 5389 3997 4316 4535 4577 4131 4330 3226 4035 3949 5024 5116 6822 6976 3439 3198 4485 4438 5375 5708 4749 4417 3872 4190 3866 4058 4234 4792 4359 4921 4900 455.1298 455.1875@0.96275 5342 5269 3707 4023 455.1875 455.1933@6.0664997 8257 8490 455.1933 455.1944@5.7174997 11345 10716 455.1944 455.1946@6.1835003 55093 56462 455.1946 455.1948@6.3265 79391 78515 455.1948 455.2182@1.1835 1298 2333 455.2182 455.2583@0.8815 4731 4391 455.2583 455.2789@1.112 10857 10951 455.2789 455.3027@1.207 10320 12169 455.3027 455.3177@1.159375 2250 16707 4177 4463 7706 5714 5102 10058 455.3177 455.326@1.1660666 2196 5751 5759 8467 3697 2330 3451 6851 7129 2832 1870 5096 3243 4746 8637 455.326 C19 H41 N11 S 12069 10690 18737 17393 19533 19572 25342 25601 22499 27226 20552 20205 33586 36632 6972 6721 14224 12967 21827 22452 26603 25832 71728 72979 205793 202786 10811 10318 10673 12718 32749 33032 9965 9680 11955 12496 6955 6423 16554 16336 13940 13852 10018 9515 21423 21321 16649 16472 10091 9940 10537 10315 16170 16628 19107 17636 10332 9606 34283 30548 21531 22839 10644 10436 11210 11320 19825 18981 12396 12515 32111 28585 8593 9227 8930 8480 38492 38179 37461 17980 17479 17310 18006 16800 14245 13389 15269 15100 25861 24641 22011 21470 455.3285 455.3328@1.126 2301 455.3328 455.3397@1.121857 2716 3563 3386 2985 2494 2244 1976 455.3397 455.3504@1.095091 16742 14546 10356 12206 6825 9440 9943 10376 6678 10154 11681 455.3504 455.3641@1.0677367 13865 34784 49279 13534 18082 12959 11468 25337 11222 10890 36072 8007 14084 33508 21053 11668 34008 14242 11336 11384 40393 6894 33142 15621 47954 10700 20952 33722 17297 17133 19563 11227 22343 34510 17651 17662 14949 37068 455.3641 455.366@1.0592728 14100 58259 41507 18823 10002 43305 32654 36746 18725 12322 20726 455.366 455.3773@1.045 4003 455.3773 456.1256@2.027 12205 456.1256 C24 H25 Cl N2 O3 S 28224 29633 23547 23653 26239 26966 17841 35129 36154 23135 22905 3357 3546 35486 35801 30168 29690 29289 29160 28799 29815 15369 15992 18168 17794 30741 32090 24409 23866 37051 36113 58585 22643 32101 32132 25194 25592 44893 44770 6578 6704 17087 17002 27759 28448 37620 38806 25279 25809 7912 7224 32226 32551 16688 28347 18595 19009 27483 28670 29073 30515 50123 51511 23092 22942 31163 30246 17452 17381 36407 37663 31976 31326 29265 30655 27509 27797 29701 30431 30066 18445 18793 17496 18182 35779 33684 18975 19725 456.1267 456.275@1.045 156612 154176 6522 456.275 456.2817@1.044 7753 12512 456.2817 456.2879@1.0547501 3702 1387 1988 1709 456.2879 456.3017@1.02 2834 456.3017 456.3182@1.0853333 3698 2344 3194 3028 3924 3298 7464 5566 14247 456.3182 456.325@1.1319705 1883 4164 1839 5728 3791 9769 9855 5697 3226 6262 14541 46792 44199 3010 4693 9658 6889 2907 1534 6693 6187 1645 5028 7537 4379 2824 7418 2951 8092 22692 27989 23567 14650 10088 456.325 456.3296@1.1273333 5341 27978 15910 456.3296 C23 H44 N4 O5 15612 16877 8644 13249 5548 13809 14298 12867 12964 13942 8946 25643 27940 10335 14056 11027 10334 25047 17095 37414 33123 12629 12931 7778 4954 6392 23930 9437 8021 4751 11374 15663 18017 14674 2592 9238 9918 11347 5860 3166 15880 13478 7771 6626 14182 26823 1344 6955 456.3297 456.3366@2.875889 17111 16772 14976 17698 12517 14622 15986 18400 22878 22486 20323 19584 9205 6816 11960 10544 10112 14749 11160 9819 4571 11155 16390 16510 17226 23601 9198 12610 11194 11982 12615 8252 5945 2212 9989 11898 456.3366 456.3372@1.105 17067 9329 7969 10835 21360 456.3372 456.338@2.9148 5043 5571 5231 4830 17113 456.338 456.344@1.0561177 8308 5272 15254 6824 6485 21829 4801 4538 19161 8904 8892 18816 17708 5987 5870 8308 7021 456.344 456.356@1.0608461 7826 9092 8078 8439 4276 4208 6589 7868 17219 14678 23203 5332 7824 456.356 456.365@1.061 12098 456.365 457.0639@0.783 5953 5819 457.0639 457.1221@2.0376 25407 28422 25545 42126 19985 457.1221 C13 H19 N11 O6 S 77173 80094 60730 61752 69311 69588 38035 40700 94183 97075 61604 61372 9552 10019 94289 38038 80383 56065 78994 50749 78582 54484 41252 40948 48321 48407 81684 82358 66021 62681 100106 97886 159892 63951 84169 84864 67617 69650 120050 121903 16445 17484 44170 43430 29448 72821 101939 102406 70145 69255 19268 20897 87615 84677 34378 77541 49361 49956 70467 75071 76286 76066 139030 139049 62031 62076 78691 79146 44249 43953 100439 99756 85254 84829 77536 79731 73258 72745 79139 61029 84340 46428 47965 46991 47413 92176 90327 50287 51407 457.124 457.1488@3.0295336 12426 11796 3428 3605 5344 5104 4174 4368 4952 4314 3736 7582 5873 6524 3473 457.1488 457.1854@7.2585 5649 5960 457.1854 457.2079@1.9649999 622827 642127 457.2079 457.2107@1.104 4228 2019 457.2107 457.2136@1.051 2994 457.2136 457.2352@1.109 34198 33394 457.2352 457.2475@5.660681 5098 3203 5185 5366 5378 4379 5470 5114 5678 6289 5718 4046 4863 3897 4981 6962 6746 4377 4109 4191 4501 7188 7667 6789 6425 457.2475 457.3103@0.912 1611 8278 7308 457.3103 457.3111@4.837 4314 3636 9313 8003 2639 3698 4206 5759 4612 2154 2668 3495 3416 3306 3851 457.3111 457.3182@3.1873333 5225 7161 8430 457.3182 457.319@3.3788695 3907 5341 4849 25296 21132 4917 4421 7400 6598 11377 12457 7258 4739 3883 9591 6194 8696 6347 5475 9691 6997 5287 4950 457.319 C28 H43 N O4 7403 7227 5415 7421 4776 7716 6197 38623 31776 8142 8231 11736 11006 7755 5687 14609 10426 5499 3426 7218 8183 6384 6211 13049 1922 6331 8227 9215 14218 12689 6917 5021 8947 8228 5624 13786 6516 8287 6319 5631 6746 7096 6317 457.3192 457.32@1.024 1812 2495 457.32 457.3395@1.140125 2327 2388 2106 7134 2238 3697 2938 33757 457.3395 457.3416@5.946833 2971 4294 5922 3471 2513 2628 457.3416 457.3417@1.1316924 2256 3029 2862 5382 2325 4700 4392 2929 2169 2696 2541 2862 2843 1645 8791 4086 4306 2212 2380 4936 3956 4842 2000 4884 2450 36192 457.3417 C19 H43 N11 S + 5.9099574 10936 12057 19837 19664 16250 16382 25492 22046 29547 25709 15836 14916 28258 30394 9585 8817 11805 11373 14750 13829 21709 21737 42715 42224 360167 356317 11388 11517 10256 8740 39095 32673 8858 8802 15382 17115 7857 7233 20989 21850 16752 17245 7511 8638 16080 19414 14297 14884 9187 9345 12027 12254 16650 17253 13683 13067 13963 15023 27821 29806 15031 12502 11461 12355 14352 15071 23817 24922 14895 13846 27570 30441 8454 9065 11340 11067 35141 37646 33289 14335 12691 16443 18064 17382 12786 12225 23785 22446 10154 10024 23575 23677 457.3434 C19 H43 N11 S 30845 63616 46113 43393 67792 72364 45407 44642 65405 63866 31843 34102 26671 27323 20445 20204 114133 107387 8114 8076 47731 45652 62198 62051 123060 124372 216207 212882 20588 20582 53838 53462 49703 48346 41357 22253 50797 50469 63952 65506 86145 89933 24579 22944 96264 96327 75444 72796 27515 25310 46782 47606 15934 36345 36041 48010 50244 109347 110211 37530 38736 53950 57123 38289 37274 41871 42223 38225 46949 28454 31293 33709 28991 33650 33884 25981 10392 26016 20602 28616 17941 30725 30806 34879 36385 3662 35675 46181 47299 2846 32665 457.3436 457.3439@1.212 3931 457.3439 457.353@1.108 7379 457.353 457.3609@1.08425 7645 10101 3979 2448 457.3609 457.3734@1.0648752 7793 8864 9256 10638 6195 6151 11010 6786 7987 5945 15561 5918 6569 7269 7155 5926 9573 13062 10035 6293 6912 6716 8194 7118 14773 9043 7731 8235 18976 13520 5948 16462 9313 9442 8405 21269 21748 9115 9060 457.3734 457.3755@1.063 18126 18239 457.3755 457.4133@2.191654 4331 4361 4608 3203 4308 5254 3816 5189 5965 3775 4333 3273 4274 2593 4561 5661 4293 7756 6008 4201 5559 3966 5012 2598 4459 4382 457.4133 457.4151@2.4780002 3667 3683 3680 5880 4778 457.4151 457.4158@1.28 4580 457.4158 457.5212@5.907 3985 457.5212 457.7373@1.176 2590 457.7373 C8 H Cl3 O8 S4 3245 3237 2196 2506 2883 2873 2149 2176 2064 1977 2654 2622 2654 2695 2881 2811 2011 2232 2989 2846 3429 3688 3682 3286 2692 2810 2057 2149 1934 2054 3675 3505 2162 2578 2644 2435 2489 2433 2543 2146 2177 2248 2353 2326 2364 2214 2108 2161 2865 2614 2183 2443 2537 2696 2299 2497 3209 2927 2378 2559 2419 2657 2951 2985 2400 2720 2503 2649 2270 2233 2499 2560 2093 2539 2595 2529 2671 2941 2558 2817 2644 3003 3003 2580 2862 2613 2720 2724 2932 457.7636 457.7849@5.854778 16052 16448 32437 34714 15656 7975 9129 17739 15971 457.7849 457.8205@3.3755715 10299 7742 6700 6119 5784 5365 4990 457.8205 457.8209@3.190077 19230 14183 5676 6095 9274 8364 3994 5814 7576 7685 7648 8022 4421 457.8209 458.2767@4.1323 13659 13733 249188 250480 57004 56633 5899 100519 21153 20336 458.2767 458.3185@1.0596666 6122 8794 10521 458.3185 458.3221@1.1186001 3585 4555 7678 5587 4179 458.3221 458.3265@1.0304999 3343 2119 458.3265 458.3356@1.05625 7720 6631 7297 4257 458.3356 458.3434@1.0973126 8048 6030 12840 45009 35933 16296 19444 20889 29639 28438 6860 8120 74073 64607 20481 15381 6484 42558 11082 12081 22435 26706 19060 18465 13011 7539 11759 54995 52843 21256 29715 458.3434 458.3447@1.1164999 2821 18588 458.3447 C33 H46 O 13173 13779 19041 31780 21645 5369 29556 10692 11464 25806 25836 21797 37715 41567 40795 24507 15338 19270 11490 14418 15208 14610 15618 2271 8818 24123 26016 29900 18318 22865 25069 25648 15206 20293 4593 24731 23813 17044 20474 29502 18755 7574 7095 5711 19016 19696 24766 22798 9724 12573 17759 22729 458.3524 458.3593@1.0916666 35768 35906 28644 22270 46532 31529 29253 6387 5850 38826 27476 13144 458.3593 458.3729@1.043 17516 17427 458.3729 459.2131@3.348 92551 459.2131 459.2141@4.183 77384 74968 459.2141 459.2147@4.343 6394 2439 459.2147 459.2161@1.896 2440 459.2161 459.2354@6.929167 49643 49355 17955 18514 3353 3214 459.2354 459.2763@1.1112857 14665 8089 6795 2236 5311 4423 5921 459.2763 459.2887@1.03156 4538 22040 7519 3236 3858 3012 2854 3122 3681 3484 5674 5943 6245 2779 3181 5793 2376 5079 4960 7021 3278 2645 2223 2744 2235 459.2887 459.2888@1.1434286 6234 1886 7092 3039 3452 3022 7398 459.2888 459.2898@0.92666656 3205 3363 5340 5389 2682 2623 5373 5202 4690 3175 420706 433286 459.2898 459.3007@1.122 12738 459.3007 459.3032@1.1204444 6029 3755 24354 2891 14230 15976 2443 2001 2437 459.3032 459.3197@1.1251428 3010 3168 3921 2342 2242 2285 4102 459.3197 459.333@1.0994444 7350 6753 5758 3468 13094 2724 6079 2488 6759 2798 3131 2973 11296 7017 3316 3902 1945 11890 459.333 459.3336@1.092 12092 3009 3856 8698 4739 6807 5879 4974 5956 3504 4739 4018 3489 4071 2880 459.3336 459.3412@1.0827222 6163 6742 4439 9973 3572 8627 3181 5499 8306 4747 1517 8267 7913 4695 7593 4919 47923 47053 35721 5393 4262 53027 9006 11440 10802 4116 4484 2841 5193 2933 6614 7535 3178 3487 5805 8492 459.3412 459.3543@1.0546 5583 7065 6255 12785 2111 2994 3944 4356 2786 3261 459.3543 459.3648@1.0435 3094 8408 459.3648 459.3705@1.037 6452 459.3705 459.5392@0.929 2635 459.5392 459.7636@5.531 1616 459.7636 460.1174@2.096 4493 5376 460.1174 460.147@1.212 3011 460.147 460.1893@4.2816663 13489 14937 13370 460.1893 460.2816@2.013 13702 460.2816 460.2838@2.0426002 6656 2940 8931 21834 14353 460.2838 460.2854@1.3476666 4479 55897 8358 460.2854 460.2863@1.1973332 12210 11878 15558 4461 33481 30188 460.2863 460.2866@1.2864286 9725 6223 6305 9134 4365 9133 52099 460.2866 460.2871@1.6165 12529 7481 460.2871 460.2973@1.1858824 3987 3443 5071 6961 2941 5869 10136 5712 5765 1740 3448 2582 3540 5912 6742 2248 2654 460.2973 460.3062@1.1935 8621 3717 460.3062 460.3154@1.1308 7936 3594 3949 4708 4942 460.3154 460.3266@1.054 6525 460.3266 C16 H40 N14 S 40610 44975 18606 6658 26613 13231 17553 19829 27753 8294 5824 24720 5145 28773 27209 32635 53369 91220 27634 20852 25264 11297 14426 9443 6982 14609 39464 42710 22078 31416 15848 15723 19720 24454 26390 23849 30195 19665 43434 14681 32050 31064 38330 5089 14957 25834 8247 7606 6758 23417 34995 105067 17739 10128 17480 102357 460.3268 C26 H49 Cl O4 3356 17514 21997 31294 17528 13817 71885 87774 18825 8698 21670 91605 96075 27890 9358 30334 22813 7296 113602 7903 14615 39930 93676 92698 16946 26798 37366 9811 14656 14702 16851 27359 5982 22977 9950 18907 6200 27701 28382 15951 39020 22205 24626 11621 28493 17707 9851 10583 6388 6967 26463 41093 8296 36876 28130 8752 36931 10111 91684 18497 21713 28692 38451 26988 14996 460.3299 460.3312@1.1465 3027 9599 460.3312 460.3383@1.0502728 4125 28461 33177 13174 6297 63453 13499 9587 8445 29642 5788 460.3383 460.3554@1.0345 1133 37670 1803 2492 1979 29183 460.3554 460.378@1.1915 3028 3560 460.378 460.7775@5.000125 12802 14572 15667 17870 18427 15607 14577 19461 460.7775 C22 H16 Cl N7 O S 11817 12064 7297 7046 8525 7643 5693 5814 10469 10625 6722 6928 9262 9085 8158 7957 7907 7176 7145 8063 5431 5298 6006 5734 7788 7232 10262 9958 9102 8914 8382 7550 8654 8717 11519 11075 2474 6144 5777 7037 7674 8399 8867 7772 8268 2670 7970 8026 7256 7487 4821 5063 8205 8326 8368 8755 10659 11305 6971 6500 8101 7651 6205 6441 8493 8456 8012 7584 8241 8366 6885 7482 7449 7978 7645 5233 5360 6083 5617 8540 8015 8899 8750 461.0825 461.1379@1.004 3312 5895 461.1379 461.1457@1.699 5558 4329 461.1457 461.1991@1.1953334 3598 2852 3984 461.1991 461.227@1.214 4844 461.227 461.2966@1.196 3187 461.2966 461.3053@1.1956667 3795 4701 2829 461.3053 461.3261@1.1273333 1826 11193 2000 461.3261 461.3401@1.0943332 10616 7255 9787 4661 5197 13003 12689 4157 3602 461.3401 461.3458@1.0700418 8877 5318 11252 11579 2441 28073 11881 12627 3000 15934 12633 7577 16002 3916 8539 5243 18539 14313 3351 12688 10685 8136 9219 10010 461.3458 461.3525@1.011762 2356 2706 6116 4812 2885 3185 9807 9258 4153 7344 8771 11872 10709 14884 21990 9981 2956 3308 11550 4507 3820 461.3525 cefamandole nafate 30667 18060 17812 21345 20474 14263 14402 27587 26969 17057 17161 5105 5051 25172 22036 21228 18209 19047 18037 14071 13971 14607 14779 20067 19835 25702 24348 24133 23304 19602 19971 23038 21910 16386 27865 6088 6120 14871 14391 19126 18244 22352 20070 5825 5681 20062 20134 19165 18488 12249 13480 21077 21186 22834 22061 27353 20237 15976 16038 20731 21401 21107 18846 18509 20067 19801 20139 12968 13801 13862 14513 21905 21502 22968 23344 462.0787 462.0832@5.399 3692 462.0832 462.0835@5.3055 7431 7260 462.0835 462.0842@2.054 31486 462.0842 C34 H22 O2 4072 6810 5303 4449 8451 8680 5173 4840 4765 4068 6216 6068 6284 4707 3274 4267 4864 4831 6465 6667 3531 7673 6884 5341 7668 5062 5189 4966 2602 2732 3596 3833 3078 3726 3003 3405 2936 462.1619 462.1915@1.108 5454 462.1915 462.228@3.2979639 28079 28343 3234 8294 3881 10981 13440 5780 15153 14911 21719 22727 6181 17835 19241 34939 33941 14564 11105 7687 3274 34861 35835 7441 6329 10996 10895 8158 462.228 462.2282@3.3154998 5412 1509 8857 4772 4918 7926 9657 6760 12066 8846 462.2282 462.2289@3.89 10542 462.2289 C28 H34 N2 O2 S 21032 21813 10417 12044 10795 23897 21161 6255 8118 12200 10223 33921 35137 26322 25319 2393 14182 13351 4235 5728 6606 34662 35255 5525 5905 14081 19186 35055 35158 13632 12523 4621 4499 33219 15724 34940 49694 48793 17358 12014 18031 12171 11547 462.2339 462.2419@1.2060001 2850 6121 462.2419 462.2436@1.2196666 10725 5467 3066 462.2436 462.2538@1.2785 3492 2790 2499 2887 462.2538 462.284@0.81594115 2703 3373 5557 6042 2642 4253 4194 4689 4572 3970 3704 4397 4732 3303 3143 4390 3825 462.284 462.2914@1.1797777 11036 3981 10575 4307 4188 4341 10728 3390 3610 462.2914 462.2948@1.1780001 1643 7313 6835 5769 3248 462.2948 462.2964@1.418 11550 462.2964 462.2966@1.1777059 3399 5416 3938 3247 6114 19672 25370 6298 4949 5584 16958 17196 9103 10198 2993 3264 2414 462.2966 462.3014@1.4843334 10944 7297 5624 462.3014 462.311@1.21 14664 462.311 462.3224@1.2 7332 462.3224 462.3321@1.1566999 2287 2164 10137 8933 7999 6336 13342 12808 5471 3040 462.3321 462.3362@3.4841251 9216 8525 5396 3996 5042 5324 11289 10665 462.3362 462.3386@3.5823333 7227 7752 6431 6290 6734 7424 462.3386 C25 H50 O5 S 40978 45602 21479 30928 86927 67115 48012 48138 1925 91284 65340 42779 43792 30608 30115 58532 60861 74398 38041 36602 36396 85226 103877 24783 33396 69878 24222 33434 38416 33945 26736 34947 53588 55288 19828 30774 75493 77742 49951 50131 28206 38748 35224 34427 46541 62758 42821 50561 59467 28620 46391 65085 62382 82819 51638 78239 95749 45083 58679 46783 53287 52241 25664 408127 13246 50377 46561 43246 42384 13626 50903 62883 30258 19271 11035 462.3396 462.3406@1.0554 9730 329408 32997 32534 9986 12423 16784 23051 17183 16468 11981 43594 29183 14834 11473 462.3406 462.3518@1.04175 10382 6484 13562 8358 10403 9140 11856 42450 462.3518 462.3687@1.02 2686 462.3687 462.4037@0.99300003 6834 4404 462.4037 462.8383@3.5349998 3025 5662 462.8383 463.1559@1.4323334 11013 8216 5302 463.1559 463.1595@1.4063 5190 4175 5993 6979 8104 6108 3347 6239 5166 463.1595 463.1695@1.3448 6828 4362 3952 4614 6537 463.1695 463.1842@1.2 7623 3535 1930 6154 7267 8683 463.1842 463.1873@6.201 4902 4972 463.1873 Met Trp Gln 14079 14462 7141 7541 12890 13658 7283 7054 14674 14651 11918 10441 5079 4867 7384 7139 9620 8477 13815 12041 4987 4568 13617 13369 13837 12824 9087 9670 4733 5727 7401 7563 13360 13828 3817 8534 8820 5516 5655 4117 4418 4595 4373 6999 7261 7556 7080 20947 19095 14827 15562 9802 8066 5542 6241 5679 5509 3399 20903 22154 23416 26322 28901 27081 26853 27177 22453 22810 18690 17459 5551 5456 15058 16806 463.1883 463.1886@6.5855 4683 4648 463.1886 463.1901@1.2015998 3291 3348 3530 2410 3901 3536 2973 5532 3095 5915 3435 2940 2631 3420 5603 463.1901 463.2048@1.1956667 2608 7411 6846 463.2048 C30 H29 N3 S 9440 7105 4406 6237 17718 11789 9795 4936 5548 5608 14752 9391 16961 12274 9100 8279 7767 9037 14785 11984 14008 9913 7393 15022 13152 29312 6408 5471 15294 7394 13259 8099 11598 7025 19429 21827 33603 31428 21305 11172 6310 20285 17975 8497 8616 7615 7804 6127 5749 463.2093 C27 H33 N3 S2 35710 35543 8479 6299 4086 3292 16178 18625 17061 30767 16646 8555 2820 7249 16362 25632 18745 15405 15606 4651 50578 33555 27940 14123 12138 4059 24015 21334 12253 9940 7760 13894 14142 12855 14635 6652 9743 11502 33125 16047 7613 26119 32010 15910 15584 15919 36578 34076 41570 19335 5953 12828 13440 15936 19654 30800 26499 14787 9532 5598 5617 8602 9192 5582 10240 18576 24787 55532 49747 28508 25196 463.2097 C27 H25 N7 O 5615 8149 8565 2315 7607 6696 12340 14432 6903 6250 7043 6604 7158 2253 6778 9577 7970 9209 8396 9420 7835 4933 6259 5586 11840 13818 4533 5496 6487 6786 12320 13679 7311 9771 11653 7874 8209 6482 463.2123 463.2124@2.015 6742 4215 463.2124 463.2137@2.2715 4119 8324 463.2137 463.2144@2.735 9496 463.2144 463.2174@1.1913333 2434 5352 5888 463.2174 463.2399@3.28 1876 463.2399 463.2403@1.187 2993 2301 463.2403 463.252@1.1850001 1852 5221 6090 5633 463.252 463.2652@1.189 4115 463.2652 463.2776@3.1423926 35232 57694 36047 35819 5902 8684 18730 14807 5495 6770 8977 21488 26873 27620 7084 56081 57061 17142 13007 6894 5533 11084 8234 20328 18996 4103 16646 13975 463.2776 463.2784@3.1858892 25192 11167 7942 7320 5418 6520 6090 4053 15633 463.2784 463.2791@1.1892 3348 3107 2100 17600 2733 463.2791 463.2844@1.1896667 2239 3908 3249 463.2844 463.2976@5.9985 11098 10731 463.2976 463.2979@6.94575 4231 4355 7773 9414 2902 2909 3620 3402 5535 4806 2899 2638 2787 2775 3059 4433 3972 3584 4109 4114 463.2979 463.2981@1.183 2237 463.2981 463.3126@1.2014999 1690 2660 463.3126 463.3283@1.1720415 1176 1384 1973 2011 2393 1571 5152 4377 1857 1682 2465 7733 2309 1782 1738 1531 1483 3046 4658 2820 1559 2577 2273 2964 463.3283 463.3322@1.1663749 4105 2985 4181 2189 2673 3129 2112 3354 2484 1839 2534 2862 2439 2640 3798 3600 463.3322 463.3408@1.1240001 3463 3732 463.3408 463.345@1.105 5485 9021 463.345 463.3535@1.0876 11738 7268 10334 13671 11296 463.3535 C23 H49 N3 O6 24406 22379 20607 31988 42869 23209 23557 30070 37503 32853 15937 14333 45326 44795 47129 47059 31289 30151 23293 21862 34860 35278 37369 24537 28783 24186 35391 23611 23387 29633 29199 15671 15502 21248 21891 34665 33938 23769 24544 36027 19809 37466 38826 24226 12748 20636 20749 21978 14449 28421 28189 35917 37192 28651 30366 34048 31331 28279 38090 31628 34312 31283 30407 43519 28891 46412 46652 27385 28869 27093 12284 20777 26832 27590 25261 25310 24657 28099 27764 41656 40175 27167 28102 16026 463.3628 463.3665@1.058 31600 32469 463.3665 463.3825@5.795 5210 7370 463.3825 464.0657@5.8 1501 464.0657 C18 H12 N10 O6 2673 2406 3271 3372 2653 2129 2215 2576 1939 1837 2455 2164 1784 1905 4251 4432 2818 3125 2816 3264 2484 1754 2868 2631 2035 1706 2694 3138 2538 2458 2536 3926 3585 3637 3589 2534 1957 1788 2814 3463 3248 2816 2011 2544 2966 2583 2226 1678 2578 2064 2224 2393 3061 3698 3753 3103 3827 4583 5039 3899 3184 3767 2496 3048 2780 4036 3702 464.0942 464.1267@1.049 2910 464.1267 464.1327@6.2605 6381 6526 464.1327 464.1433@2.8085 4278 4390 464.1433 464.1509@2.9117498 2871 28119 3312 3221 464.1509 464.169@3.3435001 59621 56826 464.169 464.1697@4.1519995 29734 29585 8547 8546 8833 464.1697 464.1906@6.9397497 15204 15600 5183 4211 464.1906 464.1949@1.2030001 2462 2015 464.1949 464.2033@1.207 2875 1436 464.2033 464.2149@2.089 464.2149 464.2453@0.9306666 1626 72028 71480 464.2453 464.2792@3.4520001 31558 31224 13706 15221 464.2792 464.3085@1.18 1797 464.3085 464.3167@1.195 2819 464.3167 464.3309@1.1846522 3260 13867 6134 4481 3346 4062 3204 3083 1731 4728 3630 6703 3619 3041 5735 3342 1839 2156 2250 2310 4019 15758 13052 464.3309 464.3331@1.189 4586 464.3331 464.348@1.205 2346 464.348 Trihydroxycoprostanoic acid 7516 9843 17286 13068 5896 2995 22886 56783 12565 20256 11034 29628 30877 44193 9757 3148 2555 18837 13148 2027 8289 15543 7172 21918 20341 19165 20339 11063 7875 33739 6230 13993 23297 26835 34127 39035 9854 18944 31475 HMDB02163 464.3494 464.3524@1.1268182 8136 11285 3321 2623 46964 18698 51942 26810 110723 75422 46638 6028 17373 51899 32465 19455 88034 19737 38062 7303 4668 212308 464.3524 464.3549@1.0646924 96479 108875 111412 104630 245987 145801 113991 130937 141021 130354 210707 115639 159808 60181 60441 72871 146074 142010 165553 168648 150510 173278 104438 81250 150065 182523 173431 82313 115380 94889 226805 178607 94074 75626 120769 143258 46202 75978 86567 94784 157433 160678 81495 100111 193681 117481 135405 138491 110272 135473 72767 88050 100069 115876 112857 85695 61809 170347 90850 148225 112251 109805 168524 160228 148385 184225 117425 125158 244339 172053 182597 200315 103379 135037 164336 119624 105381 75619 134187 148856 114741 115590 139627 120889 121050 139895 131922 80333 140529 98257 464.3549 464.3701@1.1255 16894 16457 464.3701 464.4244@0.989 17442 19052 464.4244 465.1565@1.08375 5312 3786 5153 465.1565 465.1704@3.8850422 19282 8798 8789 10988 8612 6652 7213 9968 9902 9095 8795 7047 12076 8767 11472 11251 10071 8624 12878 14331 7079 8297 8539 13678 465.1704 465.2025@1.163 2362 3109 465.2025 465.2048@4.9175 10410 10447 465.2048 465.2278@1.189 5579 6049 465.2278 465.2929@1.6585 5650 12659 8710 10863 14051 7727 8791 9537 9189 12448 465.2929 C23 H47 N O4 S2 7431 7194 6797 7733 6392 6406 9782 9505 5966 5475 4558 5025 3018 8759 9099 4095 3805 7754 8577 4750 3699 2964 3016 5418 4680 3996 5574 5012 5064 3070 6310 5968 3415 4457 4612 4523 6188 5331 5331 4574 465.2947 465.309@5.3710003 3135 3078 2339 21859 465.309 465.3096@5.477 20720 465.3096 465.3116@5.81025 6306 5480 14048 13298 465.3116 465.3159@1.2 2122 465.3159 465.3199@1.1576667 2310 9762 15795 2326 3786 2709 465.3199 465.3331@1.1510345 5745 4460 4756 3456 2922 3501 3144 2383 1103 4226 9016 3431 8562 3501 2280 3543 4196 2204 1763 3597 2457 4267 4130 1460 3228 1851 1748 3031 5168 465.3331 465.3416@1.1803333 2510 3482 3859 7374 4278 4554 465.3416 465.3461@1.1690385 9837 6949 9154 5781 5186 2809 11100 14665 3086 2860 4559 3089 11387 4987 4620 6271 3587 5147 3158 4826 9142 11342 8257 4982 4138 9095 465.3461 465.3497@6.0115004 2837 2168 465.3497 465.3512@1.208 1798 465.3512 465.3641@1.0728334 43867 16990 18469 15413 17514 23930 465.3641 465.3996@1.1895 3202 3861 465.3996 466.1802@1.214 3286 466.1802 466.1858@6.15525 8276 8692 2472 2158 466.1858 466.2826@1.17825 6718 8207 3530 4164 6575 7212 4568 5014 466.2826 466.297@5.6565 2253 5304 466.297 466.298@1.1615 4445 4174 466.298 C16 H38 N10 O6 15250 15138 13972 13741 18445 19302 9934 10262 15270 18270 17350 15689 11304 11170 13530 13999 34296 34280 72103 72794 16802 16422 27819 26721 24038 23901 37160 37210 13219 11414 14856 15696 23534 22017 13209 13585 20796 20208 17790 16816 26047 24495 15473 14742 23443 25733 40872 41376 17798 18152 18823 17048 21937 22018 18695 18981 18948 20259 38147 39021 13467 13571 17228 17958 13703 11689 19558 20456 14449 15438 11601 13262 16582 16133 16639 13878 14849 12799 15610 23646 23312 14394 17411 17097 15465 17939 17111 17023 21419 22800 16373 14406 466.2989 466.3097@0.892 4711 4165 466.3097 466.3113@1.165 2945 466.3113 466.3216@1.12275 8335 1952 4056 3328 466.3216 466.3325@6.02 4277 466.3325 466.3338@1.1676 3422 2998 1815 1656 3939 5000 5018 4924 1579 3153 466.3338 466.3348@1.1548182 3996 5629 7680 3146 3107 6595 5130 4926 2271 3418 466.3348 466.3483@1.1716001 2432 8453 6302 3823 3293 466.3483 466.3552@0.861 2739 2292 466.3552 466.359@1.1793333 3486 3036 3431 12221 14227 6568 466.359 6alpha-Hydroxycastasterone + 1.0918373 12538 20621 18447 25853 21438 23843 27739 55505 61031 42001 50866 31660 75760 20678 19991 21781 10352 14464 10503 27376 28768 35045 36061 22078 9580 22391 14876 18915 30973 9293 20944 48782 17813 125081 165090 163150 162205 167284 31076 20333 28182 266553 157588 LMST01030128 466.3655 6alpha-Hydroxycastasterone 164579 149549 99214 102255 296512 277161 221410 166939 139374 225640 364485 257999 314936 133553 133628 191928 187847 226491 229372 226952 230805 127823 106376 206028 154885 283522 231637 258594 302528 361282 365715 96619 105004 231117 204774 126261 122929 116997 118469 274488 263978 203765 117594 148427 274658 153081 126806 180723 157644 105881 109290 90562 103454 120836 123299 259953 270666 201291 237140 165844 166492 255721 205124 203184 264288 220097 145768 328418 319415 222855 261409 202875 146401 172236 222783 116952 151184 150551 128262 140374 117843 LMST01030128 466.3692 466.7787@4.5211663 4708 4806 3727 3541 2140 2218 466.7787 C8 H3 Cl2 N3 O6 S5 6263 6098 5000 5257 7667 7531 6785 6756 6728 6475 5537 5299 15439 15093 32628 32417 6492 6288 12532 11136 10951 10454 16268 16449 5374 4740 6268 9353 9314 5709 5487 8992 8612 7650 7981 11371 11456 5683 6148 9952 10743 18408 17448 8417 8271 6951 6786 9773 9822 8538 7755 7191 8159 16144 16085 5741 5807 7128 7315 4764 4633 8055 6110 6357 5852 5938 5746 5607 6361 5802 5814 5567 6346 5998 9346 10003 6781 6327 6236 6519 6436 6549 7047 8790 9358 6431 6264 466.8006 466.8024@5.841 2512 466.8024 467.0842@0.8205 2740 2214 467.0842 467.1832@3.7080002 26162 25514 467.1832 467.2217@0.90000004 3480 3392 11945 11934 467.2217 467.2413@1.3050001 26947 36698 467.2413 467.2453@1.38 4456 467.2453 467.2479@1.2472999 116731 113663 2340 2152 11639 8657 5542 7169 2215 2125 467.2479 467.2614@5.7854996 4742 4265 467.2614 467.2928@6.37 6289 5836 467.2928 Buprenorphine + 6.5073805 9322 9058 11575 12229 14356 17032 6438 8850 7387 6249 10544 11282 13520 15355 11074 10657 13286 12786 10376 11371 8651 9093 4314 5359 13187 9671 9795 9553 8976 6567 6259 9234 11061 8692 9356 7099 9566 6066 5806 10778 10324 15368 15876 7387 6443 13992 13792 11379 10191 10711 9875 7450 6940 5611 6494 6500 7479 5945 8829 17386 17957 6396 8904 9296 8891 8249 8559 7225 7216 8507 7579 8860 8509 9522 8181 4043 5066 10655 9482 13432 118948 119151 7778 7697 13223 15890 9349 10301 7399 8926 C08007 467.3049 Buprenorphine 97447 93598 126268 124519 185627 183857 124457 119850 63912 69728 152328 150298 169044 172265 118282 119658 137750 132762 126957 127678 80615 84564 35891 37264 117882 116136 99910 95965 92245 90358 66271 77149 113672 118940 132729 131153 135169 136915 97210 89458 130865 139120 158194 153270 73782 73989 165733 165243 128435 126897 84025 89384 69298 67558 53300 53928 78713 85277 83912 83319 196915 214969 115595 121281 117300 114837 110004 110352 90527 91430 87248 94349 83828 83162 92646 96626 61799 56002 116004 115316 125255 4183 12680 70437 70750 188690 185211 124181 121379 82965 83073 C08007 467.3055 467.3058@6.6384163 5003 4242 7480 9436 5934 8115 6326 4168 6169 5497 6162 6115 5800 5737 6756 6931 5943 3192 5527 6632 5374 2122 6088 13011 467.3058 467.3221@1.154 1918 467.3221 467.3362@1.141 1563 2668 467.3362 467.3395@1.1404 2970 1831 1655 1864 2092 467.3395 467.3548@1.2075 2795 2780 467.3548 467.3662@1.1956363 12015 2336 62778 62039 2794 2572 4010 2195 3089 7346 3512 467.3662 467.3747@1.1631666 60328 56884 3299 3138 2731 27359 467.3747 467.3836@1.2024231 6819 3660 3126 3231 6398 9328 72410 71561 8584 8839 40494 37618 12704 12607 10625 12345 5344 5790 4444 4598 42758 40640 6513 6733 3142 3156 467.3836 467.3865@1.042 461693 913347 467.3865 468.1574@0.8265 2582 2601 468.1574 468.1816@1.1620001 5222 5945 3231 468.1816 468.2055@0.98625 10150 11151 13170 12646 468.2055 468.314@1.155 2161 3371 468.314 468.3214@1.011 2302 468.3214 468.3337@1.17775 6227 17618 2734 1732 468.3337 468.3445@1.1962 3005 2335 5853 6430 5860 468.3445 468.347@1.1593335 3115 27017 25908 5736 1981 3338 4570 6491 3252 3661 7503 2313 6059 1838 3140 468.347 468.3603@1.1773334 4916 2672 3802 2942 7177 3240 1649 2552 2705 3690 2690 4317 6766 11051 11008 468.3603 468.3735@1.1715294 5956 9266 5536 10331 9343 6523 12277 3164 5916 7379 3353 3410 6646 7435 9460 4893 20147 468.3735 468.3826@1.1015484 9714 11141 41001 10504 17423 8000 30931 58080 19333 23222 10873 6282 15224 38899 9085 8169 21399 20460 13969 12720 14999 23540 18659 15529 51759 24329 8434 42985 11150 42393 468.3826 C29 H56 S2 306873 304299 321347 442020 446373 346072 254347 17157 458567 476577 479736 295469 251036 184055 189096 382293 258189 392520 540456 485067 388001 183264 183230 367732 362326 379689 268077 388308 384623 300498 289980 195609 202021 390862 279712 193987 215007 274716 272254 360489 364657 197149 215449 341811 344261 278076 241264 402513 407240 183637 185862 190461 268382 233714 226422 258278 256443 348482 335506 256580 254716 285972 279717 307286 328143 255887 358568 321240 302269 447558 566124 18507 254615 249888 25721 315413 201599 332663 442536 367410 351720 355300 380735 361753 270062 273313 277932 185212 239689 306899 468.3848 468.641@1.0625 2789 2998 468.641 468.6953@1.06 1032 468.6953 468.7205@1.062 1188 468.7205 468.7467@1.047 2915 468.7467 468.7775@5.853 3651 3421 468.7775 468.7885@1.046 3833 468.7885 468.8737@1.045 2017 468.8737 469.0996@1.205 1867 469.0996 469.1648@5.419 6709 6736 469.1648 469.2219@0.9755 25538 22672 469.2219 469.2291@0.953 11462 469.2291 469.2374@0.90059996 10686 1652 5005 13191 12932 469.2374 469.2629@1.369 2551 469.2629 469.2646@1.3234999 4613 6678 469.2646 469.2678@1.415 5522 469.2678 469.2859@3.824 12223 2770 469.2859 469.2933@1.551 3607 469.2933 469.3067@6.3675003 11743 11900 469.3067 469.309@6.6385 4089 3940 469.309 469.3353@1.19 3946 4315 469.3353 469.3437@5.901 7235 7236 469.3437 469.3449@3.6163332 4416 10623 10685 469.3449 469.3476@1.127 3229 469.3476 469.3481@3.5760002 9550 6879 3557 3534 4796 469.3481 469.3525@1.1424706 1693 3711 3806 2492 2062 1469 1645 4592 2432 2335 2298 2733 3135 3075 3305 3536 3199 469.3525 469.3645@1.1685 5486 2798 469.3645 469.3791@1.1005 3704 6566 469.3791 470.0417@3.83 9562 470.0417 470.0632@1.6293334 4295 5285 3934 6281 5571 3879 5152 6486 6614 4027 5419 5515 5544 4850 4997 7010 5930 470.0632 470.1011@1.0115453 13076 12148 25086 21699 5432 35131 35768 6021 5548 16389 16039 470.1011 C15 H18 N8 O10 3190 3861 4325 5018 3837 3807 3465 3633 3767 4097 3795 4112 3148 3580 3168 3866 3604 4302 4041 3916 4626 4433 3918 3493 4511 3719 5320 5322 5506 5615 2544 3001 3395 3081 4158 4062 3224 2741 3340 2811 3410 3466 4383 3762 4239 4493 4628 4692 5574 5395 5430 5380 5232 4203 4537 3867 5039 5506 4843 4729 3900 3852 2654 2976 3590 3187 4189 4268 3569 2956 5437 4476 5275 4382 5983 5297 5380 4457 5039 5188 5200 5396 2859 3106 3646 4633 4805 4736 5056 5189 4948 5331 470.1155 470.1589@1.1064999 5168 5262 470.1589 470.1655@2.0057275 4777 3108 8027 4610 5255 5515 4093 3774 4955 5649 5780 470.1655 470.1684@1.9543998 4842 5292 5263 5344 4597 7554 7026 3685 5877 4173 4310 5532 4898 5398 5884 4938 4759 6940 6164 470.1684 470.1697@2.0035 4947 3570 470.1697 470.1892@2.2034998 6501 5311 470.1892 470.2272@1.102 6672 2674 470.2272 470.237@0.97747374 1686 2330 7211 7220 13036 12880 2116 1994 2916 3158 6524 7012 2923 2672 4934 4543 3156 3507 1673 470.237 470.268@1.289 9603 8856 470.268 470.2813@0.916 1790 470.2813 470.302@1.154 2696 2298 470.302 470.3223@1.159375 5059 8295 12214 14061 2991 8239 2412 3077 470.3223 470.3341@1.1869999 2628 2325 470.3341 470.3387@1.162 2465 4518 470.3387 (22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a-homo-20-epivitamin D3 / (22R)-1a 2323 3069 7530 10441 4490 6034 3054 4627 3387 8486 2500 5039 2752 1619 1707 6056 5861 5113 2920 2319 3448 2542 2341 4387 2771 3580 3597 1719 6952 3229 4745 3495 4720 2263 2372 3086 3826 3931 2794 LMST03020454 470.3396 470.3431@0.82 8015 7643 470.3431 (22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a-homo-20-epivitamin D3 / (22R)-1a + 1.1406572 11239 3150 2106 11430 10204 3175 5260 5534 6352 7088 4579 2721 2622 14223 13276 34763 33542 4948 5245 4262 2674 3317 5163 6581 3625 58633 3205 2507 3024 6178 4426 1895 2667 2669 4466 LMST03020454 470.3455 470.3512@1.1606251 1535 3842 13813 2705 2603 5313 2935 5425 6481 5314 3788 2151 3393 4025 4988 2529 2283 3441 2790 8539 5989 4137 3236 2730 470.3512 470.357@1.113 5505 470.357 470.3696@1.20925 1620 2383 3689 18859 470.3696 471.077@1.801 9566 471.077 471.1099@0.836 3495 4186 6444 6149 7059 7118 5185 9978 9725 13386 14000 471.1099 471.2254@1.001 2264 471.2254 471.2352@1.029 7311 471.2352 471.2442@1.039 2974 471.2442 471.2506@3.045 7171 471.2506 471.2531@2.9105 27497 16443 471.2531 471.2794@1.21 7878 10572 471.2794 471.2983@1.5090001 7370 8367 471.2983 471.2999@4.639 6371 5767 5413 5484 471.2999 471.3141@1.2043333 8921 4206 2559 471.3141 471.3219@2.8625002 23708 21627 471.3219 471.3222@6.596 6094 9861 471.3222 471.3224@6.4655 2803 3022 471.3224 471.3226@6.362 18993 24181 471.3226 471.3232@6.1825 15480 16238 471.3232 471.324@6.2955 10604 14590 471.324 471.3264@0.8535 10826 10794 471.3264 471.327@1.206 2360 471.327 471.3393@5.2711997 3527 2510 4628 3604 3588 471.3393 471.3419@1.1572351 2210 2739 4396 7808 6885 3923 2553 3803 2896 4257 5868 4842 3868 2412 3526 3216 471.3419 C18 H41 N13 O2 7892 7236 5335 2433 2228 5904 5729 4713 6294 4809 3486 4660 7945 11965 9648 4665 4127 4231 7118 3755 11474 4735 4588 4794 4789 4383 3474 4056 5962 10384 8658 4626 5861 471.3562 471.3574@1.101 5997 471.3574 471.3589@5.857 13144 13488 471.3589 471.3645@1.0856428 7589 5680 13117 10268 10739 8708 10215 12115 8116 13708 12980 18611 14278 15463 10751 11084 11626 11653 4275 4956 5773 6076 7800 6405 5410 12955 9789 6534 6545 11532 9928 8449 8579 3952 25440 10988 18517 8742 6504 7519 13721 9543 7878 6676 13027 7495 12822 12269 12687 11667 11242 8485 9494 8586 10211 471.3645 471.3742@1.0642633 9470 4943 10709 12956 4733 9422 9792 8730 7665 10851 11292 12182 12624 10957 6482 16590 16813 5108 8035 471.3742 C24 H49 N5 O4 5998 9382 11459 10409 12981 10287 17012 17430 8980 5717 11323 9958 5458 6569 5226 7238 10208 4521 6849 5217 5308 7640 8675 6545 7601 7682 5681 7770 10547 11868 9490 8380 9461 11739 9753 11434 7516 4835 5402 7212 7054 3131 7596 6229 6685 5180 471.3813 471.9853@4.8605003 2504 2213 471.9853 471.9864@4.926459 3304 2971 6694 5970 15432 14300 3316 3310 6911 6183 9690 9396 2803 3076 3480 3496 3439 3910 6114 7520 5644 5054 2658 2349 471.9864 C16 H12 N10 O8 2347 2337 2057 2054 3830 4119 5638 5693 3954 4234 1463 1480 5425 4868 1721 1813 5987 5917 1397 6236 6952 1839 1799 1882 1891 3183 3639 1543 3003 2975 2869 3063 1566 2902 3072 3368 3190 3993 3908 2599 2943 1616 1754 1758 1670 2327 2115 2116 3753 3233 472.0843 472.1199@2.0626667 2861 3747 3890 472.1199 472.1824@4.4855003 16365 14984 472.1824 472.193@6.148833 30375 28909 9325 8798 2175 2323 472.193 472.1953@1.305 30334 25858 472.1953 472.196@1.2014999 69938 66654 472.196 472.2276@1.21 3177 472.2276 472.2566@6.2308335 187188 187528 63580 564022 124773 14293 472.2566 472.2588@1.215 1678 472.2588 472.2639@1.1143334 4968 7884 5718 7360 6494 5282 6994 10766 11360 4636 6927 5464 6673 4478 5056 3681 71426 4131 472.2639 472.2756@1.118 6284 472.2756 472.2786@1.162 5238 6665 472.2786 472.3071@1.1389999 11397 6301 3401 3399 472.3071 472.3132@1.1463886 3337 2982 6111 1572 7755 3237 2231 7489 5190 8649 4555 5295 36319 1966 10724 3539 3203 472.3132 HECOGENIN ACETATE 5201 5053 3060 3760 3873 4184 4746 3216 6692 7268 8586 7825 25502 20194 14661 20197 12504 20503 19377 18309 18762 15489 16144 25548 23959 24724 19618 5512 5782 2523 4282 8646 2318 7682 10778 9137 10787 17189 7099 6122 15181 17806 19362 18317 26824 27904 14675 15128 13955 16470 25343 16636 27444 23079 5677 6836 2495 12172 11566 41190 46127 7513 4822 16532 17545 21748 19130 22617 20999 14237 11214 14469 31514 4923 31182 27355 23422 60867 62726 22916 29162 22466 19785 472.3172 472.3218@4.9258943 2735 4996 4932 10257 10456 2921 2732 4781 4949 6928 6248 2252 2814 3059 2585 5065 5248 3462 3883 472.3218 C22 H48 O10 6213 2169 2481 8601 2797 15458 31662 11982 10163 4054 1853 14763 4625 5838 12140 17506 6399 12648 6263 7654 4828 19582 6577 8365 2883 5774 2564 9350 8943 1738 6518 3346 6025 4586 4316 2579 8076 1987 4884 2231 7004 5945 472.3239 472.3249@1.132 3418 3402 7059 5473 472.3249 472.3263@6.32 9613 472.3263 472.3381@1.0476 37314 36543 4870 56513 38348 472.3381 472.3392@1.1405001 36681 5330 4253 6040 3108 13700 7982 16786 20925 8612 3331 20033 2034 1925 3714 13190 9770 5193 8524 7196 8175 6283 4838 5708 472.3392 472.3476@1.0799564 26222 3590 8339 15048 40141 20240 35879 17989 21102 2724 45063 35086 26156 49863 54048 43823 30777 98348 141958 55257 56122 9500 36987 472.3476 3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-one 16856 119036 126934 29319 28376 23903 113636 104863 72494 66358 27580 88221 84842 120987 33728 28150 92498 65650 82560 14040 16150 58386 74416 37495 20821 73104 26660 36946 22462 23417 21000 26181 78090 73710 18247 18411 52648 30059 115041 61523 15202 472.3513 473.1036@1.01 3846 473.1036 473.1199@2.054767 10472 10554 3470 3576 7344 7660 4195 3739 3020 4296 8912 7944 6631 4576 4440 6508 9129 5315 5230 9613 9089 4122 4095 3331 12368 10411 4508 9747 6726 4867 473.1199 473.1275@2.0723333 3813 5064 4837 473.1275 473.1368@0.73200005 1302 1546 2062 473.1368 473.1393@0.737 1905 473.1393 473.1798@1.9749999 23336 22509 473.1798 473.1877@1.912 2496 473.1877 473.1917@5.4764996 6777 15887 473.1917 473.1923@5.017 8569 473.1923 473.1931@5.082 27304 14491 473.1931 473.1938@5.6485 67464 51602 473.1938 473.1952@4.2194996 1771660 1776484 473.1952 473.2312@2.9924998 15394 14060 473.2312 473.2804@3.244 9231 9967 473.2804 473.2875@7.026333 3270 3643 4690 4821 2597 2633 2283 3355 3578 1887 3245 3430 473.2875 473.3049@0.9185 7609 7304 473.3049 473.3221@1.0936251 1915 2556 1362 1678 2632 2507 2398 7394 473.3221 473.3244@1.1582665 1835 2795 5523 3764 2088 5760 5493 2842 4458 2577 14933 3773 2600 2574 5950 473.3244 473.335@1.1185 3354 1796 1671 5243 473.335 473.3384@6.535 42526 42707 473.3384 473.3386@6.3085003 60377 58234 473.3386 473.3521@1.1012499 3119 2720 4903 13403 473.3521 473.3625@1.0638001 9753 11907 10049 15267 16504 14778 13457 8745 9527 11813 9618 8156 11065 11091 10889 12389 16822 4162 10022 5202 473.3625 473.729@4.216 4781 473.729 473.8569@4.217 2147 473.8569 473.9763@4.204 2381 473.9763 474.1311@2.069 8789 8474 474.1311 474.1736@1.2177501 9605 9844 8448 474.1736 474.1867@0.9565 6470 7377 474.1867 474.2049@2.7633333 329483 366298 346181 474.2049 474.3001@1.0105 8267 3895 2479 21139 474.3001 474.3068@1.0624001 5001 8074 2736 7598 19088 474.3068 474.3129@1.211 26617 474.3129 474.3214@4.5839996 3630 2262 474.3214 474.3231@1.1288909 5213 10246 9689 2507 2643 5839 9228 2928 8936 3455 2908 7241 7632 2609 2866 7274 5032 22019 4133 1871 3842 3105 4780 1881 16397 3114 4953 5260 2005 3265 2920 6418 4295 3099 10028 2471 7174 7265 6757 9017 18039 15018 8467 9012 5243 4688 6914 6463 2933 2775 4489 18674 5320 3630 2348 474.3231 474.3297@1.1118462 4684 3899 8437 9715 7271 5862 3798 6299 4370 5477 6430 4384 20935 474.3297 474.3309@1.1487273 3067 12966 3593 7283 3230 3998 6371 4608 4235 6759 2749 474.3309 474.3445@1.1090001 2404 63493 35245 474.3445 474.3515@1.07 20888 474.3515 C31 H51 Cl O 18589 34389 51560 49406 48750 25305 27693 39061 36699 78132 39122 42634 39420 36952 22240 19499 29056 27242 24165 29135 43715 51330 39667 36873 47440 37640 17735 17334 48882 47979 36036 38502 33734 37059 42206 63691 38621 60318 31820 51782 45971 50599 32165 33625 51666 34082 51298 32451 27176 33018 59373 474.3635 474.3677@1.0666001 53719 44920 83436 63579 65951 474.3677 474.46@4.206 2710 474.46 475.1356@2.052 4469 4479 4067 2905 475.1356 475.2111@2.74 30883 475.2111 475.2113@2.884 26220 475.2113 475.2927@3.83 7776 8986 475.2927 475.2989@5.9554996 5022 5257 475.2989 475.2991@1.0566667 6018 2682 5054 475.2991 475.3024@3.7677999 8384 7319 9808 10600 5951 6488 2863 6040 4615 3779 475.3024 Netilmicin 44571 46905 45909 48578 68079 67862 18358 15675 58215 58486 47311 48299 12056 10064 49315 51404 110481 111111 314424 315450 31620 30515 145784 143243 57617 58446 102204 102989 8500 10525 98605 99765 5429845 5449312 110243 111834 1325208 1310961 82215 79108 90509 93086 29231 28458 104426 102200 148289 152566 49875 51955 34350 30603 48402 47745 46522 46090 69546 66996 159216 158759 51341 52809 97846 34047 33490 78429 81124 90144 87927 61370 60487 54206 57578 31545 31729 28278 20077 27280 534545 533569 40844 41250 39091 40651 42274 57479 55416 106978 103895 29471 30285 475.303 475.3158@1.146 4320 5124 475.3158 475.3226@1.137 2394 475.3226 475.3287@1.0820556 3688 1780 5027 44253 45650 3472 2898 2162 5693 1584 3017 1850 6990 7903 2859 4210 2043 3368 475.3287 475.3311@1.0748183 14665 12875 4652 4157 5240 3262 3434 11874 12598 2968 2172 475.3311 475.3442@1.0555999 7852 2764 4157 12578 475.3442 475.3507@1.0712501 12855 15499 8798 13519 6162 2978 13861 16941 10573 97528 87260 63430 475.3507 475.358@1.0665556 15153 12720 121578 116577 102100 73491 87820 14644 2992 475.358 475.366@5.259 2692 475.366 475.5589@4.116 1702 475.5589 475.6915@4.122 1866 475.6915 475.76@4.127 4800 475.76 475.7794@4.184 1270 475.7794 475.9946@4.131 2096 475.9946 476.0652@4.14 11229 476.0652 476.105@4.141 2083 476.105 476.1338@5.616715 2057 2084 1831 1945 2105 1538 2100 476.1338 476.1513@4.118 4577 476.1513 476.211@1.0483333 3968 3701 8020 476.211 476.2615@1.6680714 18082 20166 4573 8658 9050 6506 7574 7194 12161 9872 6832 5611 9102 6334 476.2615 476.2615@1.822 5684 2393 476.2615 476.2958@1.0309999 3995 2428 476.2958 476.3069@4.178 1853 476.3069 476.3199@1.131 12458 8094 3037 476.3199 (20R)-1alpha,25-dihydroxy-20-phenyl-16,17-didehydro-21-norvitamin D3 / (20R)-1alpha,25-dihydroxy-20- 1669 9923 8985 5870 33253 17364 9721 15747 26546 26934 13201 41494 6374 7972 14478 21341 14757 14685 16496 10317 16767 20453 25183 31361 30949 13760 6104 10166 25120 6227 8390 3902 5421 23392 15494 13164 11005 12525 7875 5683 5545 6981 23050 27586 8047 9878 14160 10070 15773 11083 12195 13970 9239 31234 16390 13521 11519 23397 13490 41188 18626 12061 9820 7545 20338 13371 25660 13450 5070 LMST03020585 476.3297 476.3341@1.1256667 10011 6075 29828 476.3341 476.3359@1.1505555 13861 2691 3100 7116 29559 1996 3056 30451 6421 476.3359 476.346@1.1972222 3525 2678 10553 8928 12250 1386 2415 17339 8544 476.346 476.3502@1.2001563 3465 2995 6993 3260 7366 7288 1711 34736 7126 4630 4451 12007 2560 4044 10401 9359 6284 6250 4219 4975 3657 2618 5468 8715 5408 8558 8810 6003 8143 21161 25521 476.3502 476.3614@1.1596471 27890 8562 11450 14974 3641 9322 5134 56361 7596 45235 49945 9045 6290 4482 3916 2696 4965 8302 3527 15645 6533 6660 22717 3127 15461 14869 7485 40150 37224 41872 12607 11312 28068 27752 476.3614 476.3628@1.208 8120 476.3628 476.3724@1.0607499 33839 49291 40214 54975 53357 28109 31978 40169 39864 10551 20943 16930 36665 42134 37399 36546 18409 35507 36895 476.3724 476.3765@1.0591071 45925 46518 59149 66596 55385 47881 48169 47112 40173 23312 30074 47945 59061 45505 55349 45546 20258 38541 23247 45890 72103 63045 56900 55200 66807 44095 44727 37426 476.3765 476.7622@4.134 15973 476.7622 476.8645@4.142 7848 476.8645 476.9492@4.128 5400 476.9492 476.9626@4.122 3480 476.9626 477.0159@4.131 8488 477.0159 477.0892@4.122 3039 477.0892 477.133@4.118 2309 477.133 477.166@4.15 2452 477.166 477.177@5.713 2000 477.177 477.184@2.0161536 6736 7624 5150 4795 2651 4637 12397 3176 7225 2362 6965 1345 4260 477.184 477.1888@1.9848046 8079 8716 7221 7041 8088 9025 9944 7118 5509 5268 11658 10535 4518 5730 7938 4983 5849 3883 3023 6726 3996 5692 3775 4299 6125 7751 3101 3948 8258 8167 5396 5591 9250 7963 3604 10281 7657 8365 5432 5454 11233 477.1888 477.1901@1.8463714 19649 5327 9010 3829 9958 3751 7579 4267 5816 8807 22137 10197 5481 4148 11116 5587 4111 6859 5264 7207 3701 4747 10580 10618 4907 7169 14297 17575 13975 19645 8207 8782 26199 37122 477.1901 477.1942@1.5785 7395 14080 477.1942 477.1975@1.1956 4315 2622 2580 3470 3849 4133 5649 13580 3174 3967 477.1975 477.1994@2.763 6894 9140 477.1994 477.2009@1.1945 2656 2401 477.2009 477.2033@6.30625 15576 15516 3938 3818 477.2033 477.2037@6.7666664 9517 9248 43756 44075 20368 20219 477.2037 477.2216@1.156 2004 477.2216 C16 H31 N17 O 13988 14404 18803 14506 16825 16079 47759 50373 16658 20016 35573 29725 38076 37137 10718 10981 21285 21101 15239 15693 32455 39469 15623 16136 8681 8687 13900 13425 21772 21445 17438 17856 21127 21621 32223 31110 37803 38047 14736 14297 47230 54898 7502 8722 8585 12293 20464 20797 23577 29398 10504 10226 13344 11193 23031 23099 12520 15486 18602 19312 18798 18758 19064 18400 19289 18448 18663 18768 13835 16200 18625 18672 18050 18443 19172 15338 32491 36965 32886 18333 19336 14800 14815 11773 12132 12251 20983 16612 21342 2150 12450 12870 477.2893 477.2899@5.3092003 3501 4138 3453 3414 3242 3094 3915 3638 2230 4866 5040 2514 1846 1913 1626 4157 3179 3496 1930 17466 477.2899 477.3126@5.9434996 18931 18404 477.3126 C24 H51 N3 S3 3433 4057 4004 3585 3702 4003 4292 4483 4329 4073 4457 5065 4901 4820 3813 3903 6388 5522 2826 2970 4491 4507 2822 2821 4425 4577 3512 3854 4096 3727 5040 5190 2981 5891 6041 4545 5042 4457 4223 4000 3686 4904 5575 4170 4445 3342 3688 3074 3387 3562 3396 4597 4583 4873 5067 4915 4946 4032 4037 4786 5532 6128 5729 5382 5299 4231 3707 4742 5266 6832 6206 4287 4090 3960 3645 5574 5507 6614 7769 2560 477.3262 477.3334@1.1409999 5419 4319 3729 4425 3146 3395 477.3334 477.3369@1.1110001 5270 5155 477.3369 477.3438@1.1132352 7198 1988 3664 9009 9134 2970 3859 4431 4026 4508 7790 6607 5217 4790 7217 3848 3503 477.3438 477.3534@1.0885 8347 4421 5236 477.3534 477.3684@1.0667499 7847 15313 11154 6567 13467 7352 6543 13590 13518 125009 7808 6404 9950 9095 8794 6540 9412 12187 7038 86794 9889 4564 98465 79272 477.3684 477.3735@1.052 90756 477.3735 477.3752@1.0513333 15319 10701 3782 477.3752 477.672@4.135 6524 477.672 477.8135@4.136 3078 477.8135 477.8291@5.528 1110 477.8291 477.8982@4.14 4621 477.8982 477.918@4.145 2343 477.918 477.9733@7.048368 3901 4607 9086 8669 2926 3882 3860 5006 5097 2431 2247 2795 2775 3581 3726 4218 4044 4776 3957 477.9733 477.9911@4.149 1295 477.9911 478.0048@4.137 3733 478.0048 478.0418@1.55 5847 478.0418 478.148@5.6775 14353 5122 478.148 478.1484@5.156 7063 478.1484 478.1486@5.0935 6870 12260 478.1486 478.1489@4.9960003 4912 5786 478.1489 478.1494@5.642 14893 478.1494 478.1496@4.2155 389034 372733 478.1496 478.1823@4.131 2492 478.1823 478.1856@2.9924998 10757 11903 478.1856 478.1978@1.276 6225 478.1978 478.3074@7.050333 3277 3098 5659 6021 3812 3849 2867 3214 3163 478.3074 478.3171@1.0315455 2911 3087 1532 7257 3028 3463 2390 3510 2626 2594 2097 478.3171 478.3335@1.1578001 9466 6313 2701 14689 2390 12209 2476 8594 28398 7336 478.3335 C23 H42 N8 O3 22184 5800 7312 15052 15718 1880 14945 8686 8938 9703 12848 17144 13759 20029 19252 13417 32045 12015 13102 39243 21580 8864 10964 14882 11334 11158 14733 14407 10883 7931 19933 13935 16658 18990 9994 9136 10948 10380 12661 13845 17414 14935 18312 14172 14648 11765 12548 13405 13413 12194 11793 21129 11655 11573 16914 20567 32261 3078 3116 11746 12682 478.3366 478.3457@1.1408 4020 10806 21578 13267 7543 478.3457 478.3474@1.06975 15053 20722 8312 8176 10292 8911 7304 8580 478.3474 478.3642@1.0616316 8086 7852 4621 15272 14305 6556 9858 6700 5316 7502 10905 16094 14012 9275 10901 22513 17458 7033 8760 478.3642 478.3734@1.0402 9793 1892 14120 1776 2548 478.3734 478.3835@1.041 2319 478.3835 479.1758@1.098 2974 2725 2687 479.1758 479.1808@1.1 479.1808 479.1902@1.1035262 3255 7240 2901 2501 3445 2801 2375 2384 2855 2220 5045 2882 1899 2555 4254 2849 3732 1825 1918 479.1902 479.2002@1.213 1887 479.2002 479.2038@1.157 2683 3322 1979 2391 479.2038 479.2071@6.066 2973 479.2071 479.2074@2.2855 5611 8041 479.2074 C22 H46 Cl N5 O2 S 6308 6240 7253 7007 7519 9761 16183 16889 9885 9833 12745 12918 10188 10321 5876 4011 7554 7975 6177 6118 20282 22253 4935 5229 9149 8656 8974 8437 10572 9238 7237 6895 5753 5086 13295 12903 11508 8168 8646 8643 12813 12761 4974 4894 4023 4227 12087 8165 9418 9459 6896 6745 5534 6178 5810 5025 9322 9432 6303 6174 4552 4636 7050 7004 7988 8556 4636 4897 5974 5293 9129 12451 5599 5367 5533 5560 14717 18746 14550 6466 6475 5229 5285 5236 4994 4773 6560 6529 8021 7566 8302 7939 479.3047 479.3111@3.782 4773 479.3111 479.3113@3.8185 12648 19818 479.3113 479.3121@1.1906667 3012 3625 5642 5241 4691 4674 6285 2442 3367 5025 3525 3950 479.3121 479.319@3.877 2536 479.319 479.3265@1.197 3110 479.3265 479.3269@5.918 10584 10449 479.3269 C18 H45 N11 S2 + 3.609097 7031 6825 4662 6048 10949 11181 3763 6757 7442 5435 5084 5565 4394 5697 5659 15880 14405 65637 56451 5822 4995 17636 17416 10543 9929 25470 25822 4372 4737 12664 12749 11321 12116 6035 5159 13916 14931 6247 6660 9292 11350 19869 21525 6099 5998 5932 5137 9247 7346 4366 6000 23930 23016 4036 3485 7518 9007 5041 6177 6667 7635 4707 5406 5508 4868 3794 12953 12747 5170 4805 4140 6547 479.3312 C18 H45 N11 S2 10828 10628 8721 7100 21885 18987 9614 10035 18059 16700 10122 9298 9033 9804 11361 11630 23409 22809 81533 90496 16160 15446 25310 27468 17685 17826 38943 37802 10860 11284 19721 18320 5987 5637 18731 19040 10684 10276 22281 21473 11810 13358 18047 14331 34879 33950 11136 10766 10040 11784 12188 11417 11027 10035 40200 36122 6028 6328 16312 14506 7920 9352 10119 8396 11296 10940 7734 7959 8122 7407 8176 8552 5891 15015 16907 10349 10059 9532 5634 5617 12344 10761 10741 11343 6454 6768 479.3316 479.334@1.1646667 3433 4784 2000 479.334 C24 H45 N7 O S 27270 32063 34478 34503 26332 27732 25539 25856 38773 37585 50161 50491 30110 29857 19212 15426 37935 37865 39685 38453 31595 38735 23918 19912 32785 34585 33297 32712 60673 59635 51345 52247 36647 35609 49570 49280 15438 15765 42821 34341 55466 58003 22848 27078 31048 32586 55705 56190 38442 39453 43212 40242 29350 30044 21304 20820 36994 36808 38609 36587 48318 47368 44241 44872 50912 53180 36427 36379 69892 69456 52112 54862 22829 24133 52932 54180 59396 57040 92224 89790 36734 39075 37954 31957 32092 39922 46902 68425 76957 31726 30884 479.3417 479.342@1.048 5146 5691 5627 479.342 479.3503@1.114 5226 479.3503 C17 H45 N13 O S 4884 16727 12358 12651 10916 5735 6564 8448 6729 17135 14253 10895 10707 10240 23101 22981 24143 14448 14279 5692 16947 12104 8740 28588 10008 12787 11159 17810 16365 6056 9746 21012 22107 12944 12737 14502 16109 19130 19616 12537 7477 13814 14511 7927 9810 6398 16006 12726 8296 6251 25591 22959 22451 20414 32325 5920 18287 19928 19986 10610 10417 11741 7614 17974 21294 4967 24686 16991 6196 13312 479.3618 479.3629@1.069074 27451 10986 13123 9169 11536 14505 21479 8972 28028 29011 17406 8965 10428 6716 23940 24875 6811 7679 9730 11707 26726 31462 27740 13732 18516 11257 6587 479.3629 479.3804@1.2035 5222 7553 479.3804 479.3951@1.023 1868 479.3951 479.4123@1.194 3085 14232 479.4123 479.4223@0.9635 5108 5313 479.4223 479.7991@5.969 14636 30149 479.7991 479.8326@3.5974998 3225 5045 479.8326 C17 H2 Cl2 N2 O3 S4 5313 5118 4624 4679 9019 8368 4295 4973 7626 7814 3846 5060 4254 4946 5563 12799 10825 44056 41901 6303 6335 11814 12792 10212 7052 19403 20208 4941 4738 9206 9474 8963 9092 5697 5096 10046 8788 4482 6093 8403 8184 16745 16984 5827 5758 5204 5242 6352 6013 4951 4892 20571 17811 6485 6482 4605 3985 5714 5298 4295 4087 4443 5073 9092 7152 4802 5001 5001 4954 4833 6679 5582 479.8328 C14 H5 Cl O7 S5 6099 5902 5301 2811 4173 3319 6858 4561 26699 27286 4130 7422 7841 4603 5435 11245 9353 5665 6465 5836 1736 7807 3857 4505 7972 8981 3544 8267 10936 3329 5563 4516 4931 479.8336 C20 H20 N2 O8 S2 4411 5331 5033 5456 4598 4594 2592 2806 4865 4437 3594 3613 3574 2943 4031 4173 4981 4543 3093 3761 7781 7183 2254 3087 4118 3832 4556 4347 4440 4523 3621 2835 3344 3157 5515 5371 3125 2920 3792 3833 2902 3085 4674 4575 4225 3715 3762 4157 6436 5920 6540 6539 3643 3830 3170 3017 4693 5448 4952 5174 4105 4180 2721 3075 3783 3658 5000 4843 4085 3503 3316 3968 4365 3899 5649 5638 6004 5423 5653 7409 7555 6603 4353 3910 6853 6872 4435 4689 4158 4200 5282 5217 480.0673 480.1284@2.813 3262 480.1284 C24 H16 N8 O4 4576 6602 6759 4649 6446 4836 5116 5569 5606 5972 5283 4416 5372 5377 5669 5486 5976 4446 6582 5996 5004 5917 5709 6457 6327 5224 4587 6716 7275 2519 4443 6759 6970 5664 5201 5446 7509 4189 4509 6401 5404 5575 5766 5964 5913 8717 6859 7920 6433 5271 5734 7299 7382 7430 5932 6354 6928 7157 6030 6871 4863 480.129 480.275@3.2536 46815 53705 71946 71475 43187 25772 46670 47841 36021 22040 480.275 480.2834@2.0110002 57405 50620 480.2834 480.2875@1.9054999 16736 24329 480.2875 480.289@2.059 22572 36207 480.289 C25 H52 O4 S2 90591 91341 2421 5367 1503 2070 4540 4012 3898 5745 3507 11435 8722 20112 20251 9005 9282 8420 8931 3649 3312 8459 7186 8241 7881 6576 1596 13318 6583 11415 11452 7171 8084 7758 11435 3251 1860 8568 19759 17427 18687 18580 18124 19752 8750 11511 5424 5113 6578 3582 8252 8280 6835 5813 4344 480.3339 480.3378@1.0927273 5532 2094 5100 3433 15579 3534 74530 72787 2984 5334 2379 480.3378 C33 H49 Cl 39246 29962 42419 15504 19244 21213 25571 28439 45900 40060 26577 6917 81595 98904 26270 6086 29542 61506 46696 47034 59058 92631 38801 67816 65620 148587 125291 23540 96509 51584 116068 107474 21431 7943 37016 55832 13445 17450 31960 32283 50213 87848 37413 35404 13703 86760 70602 42166 14296 10370 39730 46240 35577 59851 73468 38730 12438 80430 37720 22951 10913 75416 41446 59202 86362 31979 61195 152356 54263 75727 38978 59632 66257 40685 126094 76785 98880 36075 67740 5581 20065 27549 106006 40750 41156 39194 38853 24021 28143 47215 480.3504 480.3557@1.0823333 24091 29435 28886 35336 47364 26590 9750 27456 24810 21575 38540 11339 58149 14399 109710 23968 13246 480.3557 480.3677@1.0646666 12031 9339 11291 16478 30260 25164 29198 18961 2079 8442 14147 8270 13859 23067 9910 11711 29232 10444 12322 16201 13219 9920 9703 9309 480.3677 480.3819@1.1355556 2787 2179 1983 1817 21269 17811 13983 31742 5198 480.3819 480.3869@1.2056667 3045 2617 5245 480.3869 481.0134@2.54575 9556 8981 98159 130561 26492 26785 21764 24204 481.0134 481.0141@2.6395001 17724 10362 481.0141 C20 H35 N O12 5130 5517 1770 1913 4434 1380 1956 1974 2659 2471 9962 10338 1658 1692 10692 11310 8614 9496 6966 7030 6015 6431 2297 2387 1865 1426 1512 4776 1440 4640 1900 1931 12265 12298 2876 2547 6243 6577 6651 6700 5408 2776 4790 5500 2104 6083 12110 12407 6942 6843 5265 5440 1762 8985 9245 4505 4967 6959 2955 1470 3214 2412 5496 6225 6081 7541 6880 7225 6391 1918 6454 6958 7183 10653 10004 5654 5502 2217 481.2153 C17 H27 N11 O6 1444 2892 2400 1498 4993 1038 3542 3754 6560 6904 3822 4077 4959 4639 2575 2778 4847 1597 5005 1493 1451 5257 5076 2111 2452 2908 2359 2464 5616 3033 2711 6438 2644 5166 5203 2803 2222 4658 4490 1553 1488 2784 6815 2979 1540 5286 2009 3126 3242 2889 2108 2804 2144 6380 3617 3119 3466 4541 4672 1831 1931 1918 2083 2913 1390 481.2157 481.2889@3.1303332 9117 9931 4097 4977 10009 7779 481.2889 481.289@3.2309997 13396 12439 10595 8976 10633 13268 10589 9906 7572 7287 6545 481.289 481.2967@2.11 3265 481.2967 C31 H39 N5 3123 3703 5713 6416 6496 7235 5296 5217 4563 4512 4995 5076 7642 5759 5510 5352 4455 4466 4216 4654 3679 4129 2946 4745 4545 3007 4867 4059 3852 4853 3832 3916 4410 4376 51799 2439 3529 5207 4652 7108 6337 3717 3792 6620 6991 6596 6538 3676 3930 3889 4337 3623 3875 6710 6841 6826 6753 4227 4150 57751 4819 4961 3503 3327 4402 4310 3444 5547 5167 4252 3911 5461 5487 3417 3922 3842 3249 3858 5721 5744 8374 6620 3864 4570 481.3203 C23 H51 N3 O S3 5939 3397 4660 9637 3321 3778 5708 5513 3769 3358 1739 4290 4026 3310 3066 2511 3053 2282 2931 3013 4458 4436 6746 7887 4952 8711 3784 2485 3481 4786 4340 4494 2971 3260 3101 3537 3065 3344 3858 3355 3642 3941 4874 3040 3859 2552 4043 8955 4079 4120 2548 3913 3997 6625 5974 481.3208 C16 H35 N17 O 48911 49694 94469 98479 95049 95484 92750 92723 74334 74016 81920 82448 115846 112406 68069 68517 60422 48984 60256 58857 57820 56482 36622 35535 68422 68121 51109 49550 75728 74222 70252 69899 62595 59905 91519 89384 52672 71802 72935 85936 85675 96518 95766 46350 55637 121609 121106 96569 97691 52471 44979 55449 55142 40807 39982 60236 59068 87056 87201 95511 96613 73715 70873 3254 60940 77930 78343 100264 95109 80955 82854 50551 49140 77699 77170 64316 73757 90134 89541 64730 64090 61126 51036 53754 88558 91689 122338 119858 58910 52177 481.3208 481.3232@4.338 4347 16533 17512 481.3232 481.3339@1.010091 1515 1248 1887 1454 1886 2574 2355 1788 2167 2253 1798 481.3339 481.343@5.889 10655 10459 481.343 481.3461@1.151 1589 481.3461 481.3546@6.672 2186 481.3546 C31 H47 N O3 26236 26793 31090 31356 27242 25854 36604 37972 28394 30060 36462 37094 26754 27540 16760 15777 17037 16204 35395 33276 17593 17685 12005 11974 24110 22303 19409 19757 27041 29057 35827 34627 30710 30940 41619 41999 19179 18935 36096 35498 42424 41830 26121 25391 36381 35473 31747 31105 26065 25141 21318 21685 24656 25555 10292 9889 22829 21926 64962 68381 37255 37111 24222 24633 32349 32313 35691 38482 45169 45982 32943 32955 17751 19016 29311 30454 33044 33756 56039 51520 29823 30969 29634 20956 20425 46652 45218 34656 31514 23106 21986 481.3565 481.3614@1.1205001 6488 4283 481.3614 481.3658@1.1184167 6816 15351 8705 11417 9503 4219 6808 7575 13485 8284 6733 481.3658 C23 H52 Cl N5 O3 23942 50472 27036 2063 34001 47662 6860 30474 16828 17637 34708 21778 39316 38924 39247 39477 25940 24699 53855 52680 50235 48548 4235 50265 19362 19793 27767 16723 16334 17903 39620 33044 25709 18160 14236 26514 26688 6631 5487 21685 17394 28846 28051 34577 25638 30299 45089 2291 30930 25051 32021 39277 38666 60798 31493 36163 31989 98921 15613 26813 23351 37877 38676 40931 40467 17630 21748 19022 481.3771 481.3873@1.2024705 2946 2820 1988 3351 2904 4118 2133 1900 2148 1789 2797 2889 3098 4907 16018 2806 2524 481.3873 481.3919@1.2065 2328 1769 2661 2355 481.3919 481.4003@1.3736668 16595 30601 7478 481.4003 C21 H52 Cl N9 O 2893 3163 6394 4775 2184 6578 5138 31747 31036 3081 2611 3083 46926 46068 26809 26161 388456 395858 16946 17525 3132 3142 3277 9528 9790 16356 16408 75720 76463 9816 9803 2711 2907 1512 25764 21564 11969 11667 15150 13183 4528 5196 10910 5480 5646 7761 28834 29022 5922 5452 5645 5959 481.4004 481.4152@1.02 17360 481.4152 481.4253@1.011 7351 481.4253 481.8014@1.201 1120 481.8014 481.8352@1.205 1663 481.8352 482.1353@1.188 5357 5753 482.1353 482.168@1.833 26517 25076 17567 17595 482.168 482.1691@1.9219999 4484 5048 482.1691 482.1788@3.4080832 3035 3056 7956 8099 4454 4093 13086 13745 2873 4496 4131 4182 482.1788 482.2671@1.608 3201 482.2671 482.2684@1.28 5404 482.2684 482.3383@1.168 4206 482.3383 482.3541@0.93 1638 482.3541 482.3637@1.1170832 10022 8977 5765 16222 16802 8698 8891 11294 7049 14814 25088 77323 482.3637 482.3686@1.0831778 24930 14078 39867 16252 46985 44728 27139 7911 26829 39465 33365 44963 31739 33430 18933 9138 37920 36112 39199 28333 42655 59684 24805 26397 26335 93886 39440 30903 39635 23562 48427 10023 32766 20578 17163 17682 16287 17272 40281 39442 23800 24526 29895 23704 18595 24583 11381 22000 25606 17187 40704 23976 15729 29338 22292 14861 33062 21350 21027 20880 31913 24772 38605 26988 28456 29128 26891 35358 44594 83594 17077 17215 33141 64886 38762 13096 28491 14764 48724 24516 25669 13856 37025 37035 14248 9963 20696 28731 28447 482.3686 482.3766@1.0871667 5807 2483 12888 19174 10240 11946 29857 20345 3230 10248 15672 13129 13240 11326 13846 21656 12627 16460 7737 14172 10771 3459 2983 482.3766 482.3778@1.0897499 9559 17991 14142 12100 14242 11217 1856 1907 482.3778 482.412@1.021 4231 482.412 483.0109@2.515 3304 483.0109 483.0117@2.587 5911 11363 20441 483.0117 483.0784@3.3665 244687 239581 483.0784 483.1622@0.9185 5347 5301 3088 3181 5011 5040 483.1622 483.2035@1.274 5510 483.2035 483.217@0.95699996 5606 5745 8757 9481 483.217 483.2807@3.9605 57862 57716 17607 18558 483.2807 483.2877@4.5948753 9793 9499 5325 5726 4489 6806 5302 7400 483.2877 483.2997@7.0069284 4965 4406 5588 5308 5789 5827 4015 4345 3888 5794 6042 5955 4868 4646 483.2997 483.344@1.019 3879 483.344 483.3531@1.152 3717 483.3531 483.3568@2.152 5399 483.3568 483.3592@1.7295 27163 23757 483.3592 483.3595@1.824 2096 483.3595 483.3598@1.888 5505 7286 483.3598 483.3598@5.8545 20083 20165 483.3598 483.3653@1.1709 1727 6606 1237 2390 7925 1919 1485 2544 2134 3170 483.3653 483.3691@1.2026666 2256 2905 7139 483.3691 483.3779@0.931 6918 483.3779 483.3786@1.2049999 2995 2539 483.3786 483.3804@1.1171786 19366 2411 12521 12829 12249 4190 3369 30168 2813 10744 10485 12436 11268 9894 18835 7822 12211 4367 21448 5604 10695 6830 2721 13539 11678 8433 9241 8631 483.3804 C35 H49 N 25259 26863 36106 54660 14421 15945 76911 61807 38031 14882 99157 17339 71286 20335 20173 36316 35034 63844 63944 28891 27596 54936 27330 64990 57545 70251 39048 20466 22466 22795 23011 63107 16334 6201 38510 25498 43855 58689 43650 12361 27031 54111 17902 40053 57284 17203 23131 45910 38881 21821 27016 13041 34275 19242 11596 10503 59063 48225 14109 55030 72102 11987 30509 31657 20094 78095 73614 50051 48344 24922 27440 71637 12378 51347 29850 30433 29922 45103 46696 30565 25995 36711 33261 49709 44560 483.3912 483.3951@1.0569999 19805 20139 483.3951 484.0136@2.507 2026 484.0136 484.1634@6.068 3323 3064 484.1634 484.2456@2.9795 8536 6189 484.2456 484.2464@2.916 3619 484.2464 484.3187@7.155 4476 484.3187 484.3207@0.959 3027 3117 484.3207 484.3234@1.1679999 9514 30957 31836 484.3234 484.3275@1.185 17061 5432 484.3275 484.3398@1.1915715 4823 4162 2396 5789 2260 9429 66781 484.3398 484.3435@1.1935414 66508 59359 58403 3294 1592 80682 25338 22873 29321 121090 11108 301052 82174 79084 129477 2257 23763 11417 61680 14772 6400 33903 49285 55370 484.3435 484.3524@3.743 6209 4429 4768 11832 5822 8700 11407 8070 4148 17471 16011 484.3524 484.3527@3.7073333 8421 2996 2733 484.3527 484.3616@1.1432 2266 3784 2864 10179 16403 484.3616 484.3717@1.104 20584 484.3717 C34 H48 N2 11779 10898 48948 43996 85357 34243 31000 31599 106901 47459 63732 30466 29409 29645 30539 109446 84500 22079 41755 104259 92018 107298 6927 75652 14358 13651 7442 14417 13927 95757 128703 21373 20249 40637 36942 18612 11464 80247 77613 9978 16121 35414 22881 22774 36061 35198 29379 26928 28014 30103 32357 55430 44364 49606 65468 30221 31398 73113 121969 88827 109556 22303 78077 11138 10286 75638 81069 32265 11466 9003 34031 30798 484.3755 484.3813@1.0792857 144843 121803 9655 10875 89761 48295 23827 484.3813 484.8508@3.7394998 5827 6218 8391 4125 484.8508 485.0091@2.6399999 5659 5571 485.0091 C25 H15 N3 O2 S3 4505 4258 4482 4509 4393 5822 5353 5236 5461 5266 6066 5026 5319 5329 5410 5178 5091 4423 4324 5150 5168 5992 5962 6523 6656 4730 4897 5070 5204 5885 6078 5068 5170 5549 5310 5005 4485 6413 4324 5080 5346 4966 5591 5549 4824 5443 5458 4386 4371 4806 5999 5941 4914 5402 4998 4572 4635 4795 4959 5303 3903 4600 485.0312 485.0395@2.068 4401 485.0395 485.2326@1.046 4835 4076 3367 3358 485.2326 485.3302@1.181 2182 5847 485.3302 485.3462@1.0656667 2346 2212 6118 485.3462 485.3551@1.091 3287 1653 485.3551 485.3634@1.1496667 1984 2372 1885 485.3634 485.3672@5.8 3065 485.3672 485.3748@5.808333 20013 18572 2335 485.3748 485.379@1.102941 7100 8112 7360 3501 11083 10604 6377 9033 9851 9049 7397 9258 7742 10365 4839 8168 8748 485.379 485.3797@1.0809335 15076 7723 27226 23303 19720 13540 10047 22986 16148 13378 19911 17248 15922 19883 20379 485.3797 485.3929@1.0597777 8731 8958 5588 6780 30460 28405 10025 7931 485.3929 485.4009@1.0525 10413 12521 485.4009 486.0798@3.3825002 5033 3400 486.0798 C17 H26 O12 S2 6579 6563 7354 7165 7529 6440 5420 5418 7133 7468 6732 6718 7100 6728 7476 7204 7160 6907 6146 6400 8309 8166 6357 6198 7256 7223 8331 7584 7835 7822 6352 5638 6048 5977 7031 7165 6050 5550 5903 5877 6451 6817 6932 6980 6954 6716 7166 6780 8365 8260 8927 8680 6910 6292 6775 7104 8175 7315 7843 7654 6593 6366 5598 5681 6023 6465 7569 7401 5922 5948 7385 7468 7017 7619 8355 7251 8086 7076 7530 8769 8244 7556 5688 6054 8332 8217 6889 6731 7708 6827 6701 7312 486.0871 486.1132@0.82750005 48101 47310 8166 7984 486.1132 486.2134@1.153 1693 486.2134 486.2203@1.155 2119 486.2203 486.2212@4.946 3866 3632 486.2212 486.3233@1.171 2116 3530 486.3233 486.3254@1.178 2292 2573 486.3254 486.3343@7.054 37850 37415 486.3343 486.3374@1.1536363 5818 3012 3079 3512 5537 3309 3004 3412 2260 5958 2703 4286 4431 2506 3602 3505 6898 4816 3622 3730 1527 154177 486.3374 486.3374@0.8865 11827 11076 486.3374 486.3391@3.4524999 5052 6138 486.3391 486.3422@1.1286956 2552 2606 6693 13127 2900 6620 8031 5902 2142 5002 4297 2372 1867 17870 2540 1962 4449 12069 3992 13758 196264 9690 15622 486.3422 486.3482@1.1276667 4141 6552 7503 4274 6057 4144 117057 5379 4404 4267 4271 3361 3791 6218 3429 486.3482 486.3567@1.0673391 40193 32436 5428 205441 194320 3669 2595 20787 19593 4977 6954 4923 13305 14451 89887 9791 7117 15312 14779 14538 16826 54142 127457 135579 137558 26261 18345 18477 139788 11390 10601 5301 173711 120766 136763 127372 118947 153760 173172 3059 13785 6805 201064 201721 29159 38753 18037 14500 16654 16739 12002 17376 4307 59494 9300 16987 29067 14197 126131 31705 5395 486.3567 486.3569@1.132 12830 74265 486.3569 486.3621@1.0846364 38842 20564 8633 250727 34171 36071 39107 305412 158401 5780 2113 193564 198941 25204 149578 114152 171796 149166 5752 76337 179560 9531 486.3621 486.373@1.0766001 31164 34248 41142 10523 29721 486.373 C26 H46 N8 O 10177 13325 45681 40880 42286 51621 25018 54503 51485 45312 23121 31629 16236 11076 51600 45122 31250 19423 18108 39355 16033 43169 29511 15922 18121 18994 39238 34637 43977 41750 29271 31100 11876 53838 54275 58912 18688 33508 48311 15783 29796 34233 34097 45692 40631 486.3865 486.3875@1.0962223 39997 38606 63046 59257 46495 34448 47956 33415 76367 486.3875 486.6614@4.955 2467 486.6614 486.6626@5.007299 2552 3263 5698 8272 9642 10412 4278 4267 5485 8609 11076 2711 3223 3107 3547 3325 8832 9621 4111 4573 486.6626 486.9966@5.0063343 6307 6449 7200 7595 2996 3169 5778 4738 7441 8478 2473 2625 2613 3187 6270 6172 3472 3262 486.9966 486.9985@4.948 1211 486.9985 487.2364@4.219333 17580 18147 17435 487.2364 487.2529@1.11 2449 487.2529 487.2692@0.903 5328 7519 487.2692 487.2766@4.3704996 15545 15781 487.2766 487.2955@5.431 3443 487.2955 487.3219@0.91575 3225 4023 158878 160443 487.3219 487.3319@0.916 3700 487.3319 487.3323@5.008167 4269 3825 4039 3504 3098 3224 487.3323 487.3438@1.0977501 1369 1841 1481 3550 487.3438 487.347@1.1326315 1648 2872 5267 2311 1966 2515 1992 2037 2418 2045 1840 2532 2768 1731 2446 2108 2015 1821 2185 487.347 C23 H41 N11 O 3254 3798 7791 5501 4076 4095 3922 3777 4077 4015 3908 11914 3320 2796 3099 3230 6577 6914 19313 18913 3765 4525 7152 6157 5971 15520 6747 3222 3674 2202 3958 5633 3959 9653 3899 4151 4559 5719 7944 5215 5570 4517 4588 7735 4889 3283 3360 4846 3220 14981 16134 2928 3383 7693 4897 8646 9872 3631 3461 2597 3391 8860 8914 9534 9761 3717 3483 2953 3099 2974 5338 7823 3181 3243 10220 4966 3533 2912 3180 6127 3876 3823 3092 6882 2761 3059 487.3517 487.3532@6.2475004 5353 6693 487.3532 487.3592@1.057 5356 487.3592 487.368@1.071 11573 10781 19179 5102 13858 9153 7623 15180 487.368 487.3788@1.0793333 15947 16588 18390 15959 14283 13380 487.3788 487.9805@4.1735 53971 52588 487.9805 488.121@2.7055 2321 2164 1838 1445 2293 1212 488.121 488.1592@1.2943333 10338 11228 6621 488.1592 488.1891@1.20525 2544 2544 2313 488.1891 488.2205@1.057 2071 488.2205 488.2237@3.757333 18815 17039 13464 488.2237 C14 H40 N12 O7 18705 18858 16714 17421 26321 25564 12563 13128 20491 21694 19563 21772 13622 12732 17233 17755 42278 41297 78902 80783 21887 20909 35362 34707 34918 30609 45148 42684 14175 15555 17029 20958 28327 26627 18070 18557 27184 27563 20899 22662 30654 31160 18408 19099 27836 28565 46835 46699 23922 23268 19358 20077 30816 27999 23538 22214 24193 25923 39928 43290 16891 16816 19932 20451 12696 14219 24678 24780 21228 18449 18180 18826 19508 20178 19781 20613 18160 17019 28477 28628 17908 17156 18723 18367 17192 20240 21097 26039 25246 19556 20322 488.3121 488.3124@5.8155003 1727 7866 488.3124 488.3213@1.0075 1207 2114 3162 2791 488.3213 488.3338@1.2031666 4801 2732 4345 6234 1670 488.3338 488.3431@1.1983334 9554 3703 3363 7306 7334 3766 6020 16823 5992 5555 13948 3283 8064 8551 10225 4731 4737 3410 8149 2747 7375 7182 4343 5976 2946 2915 9858 6610 3199 1889 488.3431 488.3469@1.1183333 13241 12045 11123 488.3469 488.352@1.0874596 49688 49323 53630 57275 58297 55928 17240 18529 49583 50524 18075 50489 9109 7094 61387 24891 13978 10090 50192 12178 5990 8926 57253 11405 74592 49782 54264 53607 69479 48702 187747 54732 58386 14999 8150 40435 12647 488.352 488.354@1.202125 5128 9380 11744 9504 8011 3080 5627 7398 488.354 488.7909@4.6546 4689 4295 3245 2869 1827 488.7909 488.812@6.012 2243 488.812 C18 Cl N O4 S5 7688 8535 7177 6856 9908 9455 5015 8678 8229 8135 9299 5421 4477 7117 7121 17111 18157 36196 35124 8424 8851 15662 15090 13604 13053 18293 18661 6757 7023 8021 8022 11785 10802 7415 7819 11415 9659 10777 9632 13126 13149 8184 6987 12501 12475 20149 20717 10214 9406 8795 9311 12632 12833 9665 9640 9654 9880 19529 19157 7788 7234 8596 8644 5842 6368 9619 9434 8425 7834 7439 7343 8335 7975 7991 8119 7168 12512 7347 11785 12087 8181 8226 7919 8243 8209 9079 8688 10874 11500 8707 7923 488.8138 C17 H32 Cl N3 O5 S3 3350 4454 4330 5404 2186 1769 1671 1817 1400 2104 2353 1580 1299 2681 3340 2274 1993 2413 2391 2289 2277 1991 2176 2037 1814 1439 2074 2161 2055 1860 1778 1902 1260 2501 1858 2035 1779 1872 1788 489.1183 489.2033@4.7795553 3581 3817 2658 7546 7228 4179 4044 4856 4346 489.2033 C21 H40 Cl N7 O4 4621 4978 6072 5744 6028 6527 7110 7003 4023 4733 5313 5191 3198 3296 5250 5237 6491 5689 11197 10362 4782 4624 15874 16227 5045 5568 5338 5725 5252 5015 13850 13510 1518232 1558822 7295 6460 504816 5613 5655 4789 5330 9665 10333 8775 8861 4584 4614 4229 3917 5347 5312 6286 6376 8191 7547 14393 15017 7915 8250 6549 6398 3557 3308 5431 5535 6369 6179 17143 16263 5652 5706 4464 5031 4755 7199 110142 5731 5880 5771 5510 5333 19866 19192 13148 12917 5312 5896 489.2823 489.2873@6.591866 6394 7046 3956 3806 4563 9230 6395 7897 5056 14827 7945 7558 6924 6277 5629 489.2873 489.2928@4.656 2085 489.2928 489.2984@6.59 7013 6825 489.2984 489.3048@5.4313 1657 1761 2417 2217 1554 1623 1548 1944 3408 3502 489.3048 489.3139@1.202 7023 489.3139 489.3178@3.364 6166 489.3178 489.3179@5.992 2208 489.3179 489.3185@1.0594445 46160 45986 8253 39942 41867 10242 10264 6076 489.3185 489.329@1.0245 15662 2914 489.329 489.3399@1.0655 26883 26873 2284 6224 25912 32248 19942 15867 489.3399 489.3431@5.995 2839 4605 7256 5898 4175 3531 3665 2989 3143 4959 489.3431 489.3454@5.9955 6090 4789 4026 4861 489.3454 489.3491@1.5705 4797 4941 489.3491 489.3499@1.11 17824 9823 489.3499 489.3503@1.0933334 22447 2707 14496 23882 22688 6931 489.3503 489.3606@1.062 10831 489.3606 489.382@4.5865 5293 5106 489.382 489.5448@6.2395 3266 3136 489.5448 489.6884@6.247 1836 489.6884 489.9446@6.24 5322 489.9446 490.012@6.235 5420 490.012 490.1841@3.025 6292 490.1841 490.2033@3.9143333 58641 54206 52643 490.2033 490.2295@1.08 38464 36305 490.2295 490.2594@1.24775 3733 4784 5394 4766 490.2594 490.3184@1.018 4985 2012 3377 2028 490.3184 490.3291@1.0197501 4468 3040 4279 2547 490.3291 490.3367@1.015 3240 490.3367 490.3461@1.211 4566 8161 490.3461 490.3572@1.1686113 4528 8733 5130 3311 14328 5428 12772 6108 11100 13255 4036 9662 10981 5828 7827 5811 14390 17444 490.3572 490.3645@1.1235 16257 21100 28456 17902 490.3645 1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / 1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c 79447 16874 25980 88746 104442 128234 126411 130005 12185 120329 78469 80811 240371 20506 126344 23304 125784 129907 74693 110831 18919 117776 113894 87479 34231 28447 21222 18699 2732 7399 12990 17583 19535 12461 21864 20037 99641 20213 113184 118524 100895 117267 123108 134111 106136 97738 105312 92287 127476 15150 83297 86838 110595 60345 LMST03020478 490.3666 490.3676@1.051 37587 490.3676 490.5401@6.234 4919 490.5401 490.5538@6.237 5610 490.5538 490.692@6.234 3086 490.692 490.7915@5.965 2598 490.7915 490.8323@6.234 3436 490.8323 491.1353@2.7018 1839 3152 1545 1514 1512 491.1353 491.1356@6.006125 4242 4296 5711 6429 4404 3569 11183 10401 491.1356 491.2065@5.5691214 2312 4124 2745 4853 5223 5996 6096 2586 4515 4333 3346 5144 5294 2547 3441 2295 2032 4258 4291 1989 3036 2419 2632 6394 5467 6341 3632 3280 2960 3151 2577 5561 5590 491.2065 C32 H37 N5 6497 4907 6087 5199 5508 5333 3717 3890 7536 8219 8001 6800 5628 6001 5575 6861 5599 6275 6790 5334 5713 7703 6806 6830 6397 4002 3644 4818 4463 6724 6052 5444 5198 8211 6854 8049 7342 5529 6430 6009 5277 4896 5695 6208 6269 6751 7231 5293 5375 5161 5176 6327 7167 5108 6320 6599 6755 7990 9368 6333 7699 6312 5999 6274 5001 6715 5209 6427 5981 7191 7506 6957 7300 3803 4857 4114 8893 8718 9620 8789 4446 4374 491.3059 491.3192@4.4005003 7261 7109 491.3192 491.3265@1.0276153 5536 4629 1143 2973 2436 5794 5004 2646 8737 8391 15156 13325 491.3265 491.3391@1.0273334 14524 7275 4990 5162 2817 2127 2695 2852 4451 10335 15925 9690 491.3391 491.3416@1.079 4631 12352 3064 6714 491.3416 491.353@1.0715 4178 7751 9046 1498 491.353 491.3578@1.1431667 3940 2839 2057 3658 4149 2175 491.3578 491.3641@3.8263333 8213 9734 5007 9605 12305 7998 7822 15290 12321 491.3641 491.368@3.829 6410 491.368 491.3686@1.0778215 43693 44720 42257 3959 9339 19317 18693 12989 19482 31500 26469 25139 23666 20826 24772 26238 33024 34040 18862 33057 6262 30145 28056 6439 29697 25801 26585 491.3686 491.3755@1.061 35436 40647 46937 30833 491.3755 491.3812@2.145 4098 491.3812 491.3818@2.197 5942 491.3818 491.384@2.098 16332 13876 6298 11077 491.384 491.859@3.8225 4958 5670 491.859 C20 H16 N10 O4 S 2155 1996 2284 2197 2163 2061 2398 2343 2145 2093 2435 2591 2592 2612 2701 2884 2145 2198 2503 2432 2120 2746 3068 2670 2742 2567 2612 2515 2977 1904 1866 1924 2163 2283 2157 2387 2079 2125 2117 2421 2667 2226 2323 2333 2423 2394 2436 2305 2361 2772 2584 2613 2709 3147 3069 2631 2949 2231 2163 2427 2702 2085 2038 2246 2392 2136 2218 2102 1980 2672 3016 3072 2709 2381 2437 2346 1889 2463 2562 3103 492.1083 492.1639@1.074 1991 492.1639 492.2761@0.916 23686 23345 492.2761 492.3406@1.1712857 5449 5413 2711 2077 5192 6498 1699 492.3406 492.3504@1.205 11769 492.3504 492.3505@1.1625881 8176 7048 4465 6288 6767 1067 4806 14852 4625 8414 1530 1740 5830 11299 11180 7437 8652 492.3505 492.3534@1.4175 5732 6442 492.3534 C31 H53 Cl S 15973 16470 15726 17019 5507 10483 10434 13843 14189 7676 7137 3048 2701 7239 17479 13320 13028 4283 6507 5056 9124 8030 10535 11691 8103 7628 12572 12416 6631 7251 3196 14528 8111 6592 6554 10258 7460 5187 2966 7873 7799 6924 7162 8052 10614 5731 7697 8231 24185 22472 10328 9318 11806 1572 11863 10550 10610 16751 4295 43553 43401 492.3542 1alpha,25-dihydroxy-11beta-phenylvitamin D3 / 1alpha,25-dihydroxy-11beta-phenylcholecalciferol 3406 4290 3423 7425 7857 5093 7806 9727 10168 8945 6789 5961 7759 6875 7236 11319 9334 3248 6736 2808 5154 9269 6715 7122 7723 3846 1935 6919 3999 2003 2196 5661 1967 8823 7767 5940 5883 LMST03020529 492.3615 492.3818@1.0940833 20029 27024 22266 11115 36309 60832 22465 16691 17553 11423 20578 68473 492.3818 C31 H48 N4 O 70871 59234 62682 73687 130045 110056 103655 88315 87236 88465 104558 99755 69147 89216 43465 45200 95516 92321 119046 115851 95314 59563 67663 63083 110684 129076 111451 109752 103028 89662 50572 58127 78067 75402 45242 45808 59642 65272 88565 87417 63394 63934 22910 81723 75273 90132 66793 19817 63695 63482 63313 74415 72375 99916 103023 93461 83802 88436 83845 97507 98567 94615 94648 84052 81559 117346 116540 140469 122333 58633 76174 85309 91007 22918 33869 75596 74110 73233 69715 71072 87462 76309 71227 492.3837 492.9826@7.1522226 2817 5048 5890 3075 3664 2553 2888 2779 2616 492.9826 C11 H26 Cl3 N5 O10 12056 5536 9782 9719 7817 8719 8079 7755 9715 8761 6607 6804 3027 8766 7713 7444 7031 7425 9808 9486 6196 5265 6897 6291 6416 6262 5317 6748 6863 6594 8100 7284 8299 8943 7951 7408 8640 7560 6552 6718 6096 5335 6135 6738 5346 8227 7211 6657 9081 9621 8281 7883 6879 8985 7246 7682 7367 5474 3277 5568 7328 7094 4737 5596 7938 7481 9197 8998 10020 8034 7931 8773 7261 7272 6588 8890 7783 7942 5409 9611 6155 7029 6366 9359 8670 6979 6529 6942 8007 493.0749 493.0759@2.7534282 5844 3134 4197 3651 2005 2648 4347 493.0759 493.1485@1.076 30666 28553 493.1485 493.1625@0.826 3039 493.1625 493.2756@1.971 16826 493.2756 493.2793@2.0124998 23123 65970 493.2793 493.2813@4.7955 3406 3312 493.2813 493.2833@2.06 29627 493.2833 493.2835@4.643 2469 493.2835 493.3164@7.149 2624 493.3164 Tiamulin 25573 22382 29521 31387 24891 26396 16499 15689 21227 21506 53763 53839 30113 26438 19519 25083 25953 25404 44326 45155 23872 23774 19596 15491 22450 23112 23462 23495 23574 25853 23359 22986 28894 24387 20314 20633 16554 15235 18940 18774 27581 25394 26241 34456 21602 20624 26460 25705 26569 28097 29511 33639 20564 25216 20015 18556 25584 26083 25581 26532 26472 27580 29133 28925 25158 26088 23532 24116 20710 22052 29817 31576 16358 16512 25203 23709 30883 32070 39263 32488 26174 24831 22958 18780 17791 20726 25499 53919 51901 19990 18576 493.3209 493.3209@6.6105 2662 8047 493.3209 Tiamulin + 6.5371113 337670 294659 402812 401577 339645 337595 205216 245449 279818 278518 785451 794146 391082 388864 310113 311520 332986 277611 494721 690368 307637 307639 230375 228420 359483 356033 323094 316852 362897 365914 324861 321245 409179 342358 362401 357576 283630 280606 346825 348450 380743 384896 443464 449036 276281 280551 358758 359603 366035 359602 459253 387159 323922 322189 240904 237800 303334 355631 338179 339290 393676 475305 464473 465854 429949 440320 356647 363791 347106 339755 536035 542389 208993 212777 325343 322559 458775 454385 554181 556664 334313 283918 276913 233064 202539 410425 350616 962915 950098 247763 211223 493.3214 493.349@1.162 3990 4694 3725 2736 493.349 493.3539@1.138 2261 493.3539 493.3574@1.1418 2571 2405 2600 2267 3115 3633 1552 2363 9708 3008 493.3574 493.3575@6.3101425 1911 2367 3005 3223 4559 4668 3439 493.3575 493.3719@1.114 5808 493.3719 493.3792@1.0985 5152 3269 493.3792 493.3882@1.064 16369 11423 17807 15066 493.3882 493.5047@6.534125 2605 2973 1093 5724 1709 2206 3647 1627 493.5047 493.5632@2.7047143 3044 2432 3445 2644 4807 10317 2915 493.5632 493.5802@6.5415 1329 2534 1422 3645 2705 3515 493.5802 493.7707@6.535 1909 493.7707 493.7806@6.542 3304 493.7806 493.7988@5.5230002 1422 1531 1479 1173 1824 1088 493.7988 493.9303@6.525 4191 493.9303 C22 H22 O9 S2 23277 8834 19815 26032 20405 21584 20838 18935 23727 23666 21134 15964 21483 21573 19309 11910 20196 21574 23359 22504 9555 14714 17995 17877 15702 17402 17059 16721 16161 17044 18121 7942 22981 17455 21040 11309 21666 21231 12803 17860 18032 21935 16543 16103 18081 17638 18373 15739 25240 22477 14845 19268 17757 17177 19709 19926 18135 16741 14418 14249 16614 18629 14465 14531 22367 20967 23850 23229 9566 18720 20155 20503 17314 18107 11897 23043 15513 15692 22136 20885 17852 18485 17259 23962 23389 18544 18714 3911 5295 494.0717 494.0723@2.779 9139 494.0723 494.0726@2.7375 8770 5275 7000 3689 3371 6153 11618 14071 4945 7352 4665 6888 4691 4211 4946 7197 6457 2375 16692 8106 4394 2197 8525 9233 4068 2910 3300 3151 19781 20471 494.0726 494.1212@5.577 7113 7999 494.1212 494.1495@2.156 4700 5379 494.1495 494.2001@3.6626666 5595 5541 6320 494.2001 494.2739@0.941 1727 494.2739 494.2817@1.01 4057 4207 3497 2704 2796 2788 2998 494.2817 494.331@1.013 2022 494.331 494.3422@1.1500001 3653 2251 494.3422 494.3547@1.1470001 2621 3167 2318 1953 3523 2565 6341 7232 3299 5199 1684 1550 2041 5833 494.3547 494.3627@1.1561251 2734 4436 6809 2454 2935 1906 2755 1952 1690 1822 1747 5101 16949 2911 3183 494.3627 494.3774@1.1366 2940 2949 2795 4104 3834 494.3774 494.3875@1.099 3821 494.3875 C30 H55 Cl N2 O 71917 69679 74205 74289 155213 152262 101268 103324 123697 122196 138345 135041 127436 124868 45881 45196 106951 106635 119610 123156 106603 107010 56055 45783 98164 118117 122294 98038 110556 119021 129412 58804 58786 104635 84844 61881 60341 78428 75918 100199 85354 66243 69229 126986 112420 99439 97197 86455 81309 60769 67083 67555 59593 82088 128531 126100 97122 102289 88207 91556 102337 101940 102950 96551 78530 88343 133938 138896 143656 139333 20666 81138 76821 108759 25865 108890 55439 54190 86036 84015 81313 103256 73922 79375 80538 68498 66697 494.3998 494.4002@1.0949999 19222 5050 6371 14660 10239 6250 54871 26873 494.4002 494.58@6.531 1391 494.58 495.2581@1.9679999 28163 29350 495.2581 495.2913@5.682333 3215 38315 37381 495.2913 495.3052@7.1063747 3218 3070 4826 4613 2441 2940 2470 2392 495.3052 495.3219@6.124 3099 3775 495.3219 495.3331@6.5921817 4317 16132 104589 40513 32630 7060 51068 124280 189633 91884 51684 495.3331 495.3371@6.562518 100306 107052 119429 318521 123568 127459 138304 25125 122113 40933 167939 55031 110699 171882 88755 64299 50915 96374 143942 72125 396535 472482 83394 22874 202894 83927 206836 495.3371 C20 H45 N7 O7 437809 554099 456547 455863 427612 426001 373021 463775 671772 562229 622600 774037 595873 739313 370449 372016 683322 676997 781152 780023 518109 502732 200637 198277 702547 587551 341932 328491 713714 717450 502775 401612 435580 527516 420254 415072 259097 259997 486597 479861 558463 685189 534898 651769 509727 517210 779361 638751 476997 470000 477168 572320 390720 375783 273509 264292 363697 465473 580446 703076 752257 763214 570093 486359 368345 325750 498549 604086 644107 635083 605424 728083 339423 279714 602601 491906 616009 616739 1027899 837235 552834 565467 556334 459326 381969 714687 703986 959686 1009000 322880 302249 495.3376 C21 H41 N11 O3 6393583 6548603 6536175 6484769 6674827 6664228 7024935 6966000 7114959 7094744 8275466 8263375 7330321 7775753 4817063 4963868 6750787 6745745 7982765 7703442 5623920 5723679 3200151 3309245 7334522 7469407 5766921 5567462 6468798 6547612 5438073 5317311 6967977 6842847 8225535 8249728 5059338 5229599 9570434 8602638 7066287 7018320 7572389 7447993 6693229 6533087 6927463 6915276 7021913 6931162 6240198 6364271 5790406 5709531 4505851 4413104 5850484 5937887 7734499 7695630 8260067 8492904 7075608 7854036 6909809 6946268 8186019 8000769 7998176 7843773 8178431 8044857 4803270 4840288 6688939 6772132 7532787 7304294 9235690 9153188 6912852 7041510 6840258 5132309 6107731 7944919 7803410 1.01E+07 1.02E+07 5091519 5070348 495.339 495.357@1.1431999 3076 3926 2589 2920 1795 2276 1892 1845 2618 1782 495.357 495.3609@1.127619 1524 2061 3728 4246 2971 3675 2742 2478 2524 2353 3930 2217 1724 2530 1694 2051 2573 3018 3426 2325 1986 495.3609 495.3642@1.1352801 4926 5343 2445 3857 4714 1821 5080 2733 2344 1717 4175 2232 3364 4074 2368 2175 3938 4602 3325 4848 10114 4833 4322 14380 495.3642 495.3789@1.0977001 14826 11643 8894 15646 15005 6893 59769 12025 2830 4330 495.3789 495.3971@1.199 1935 495.3971 495.4114@1.167125 4436 4756 2595 1822 12983 22614 2857 2738 495.4114 495.4166@1.201 7953 7662 2535 15149 15172 495.4166 495.4168@1.0320001 186368 208893 495.4168 495.5159@6.405 1370 495.5159 495.5221@6.4588747 1160 6324 160586 5330 178195 103436 151842 2691 495.5221 495.6063@6.414 3586 495.6063 495.664@6.476 1149 2038 495.664 495.6798@6.547 1255 495.6798 495.6893@6.4572 1065 1528 1185 1557 1310 495.6893 495.709@6.467 3183 2502 495.709 495.7321@6.5323334 2183 3014 2991 495.7321 495.7402@6.462714 1818 1590 1622 1413 1491 4596 1420 495.7402 495.7464@6.562 1203 495.7464 495.7754@6.4 3178 495.7754 495.7886@6.436 3424 1524 2513 3122 495.7886 495.8041@6.4550915 2731 1942 1517 2261 49200 2743 83924 2143 1114 1728 40167 495.8041 495.8079@6.5035 44435 70155 495.8079 495.8186@6.4727783 46217 3237 69245 91893 65570 2215 76743 2122 77040 495.8186 495.8583@6.4934444 1637 1350 1414 1511 1977 3694 4099 1629 3065 495.8583 495.8651@6.4659996 6535 2715 495.8651 495.8671@6.4841666 11735 1068 15869 1787 2296 2868 495.8671 495.8752@6.5355716 2687 5659 2367 2542 1896 1448 7897 495.8752 495.9005@6.547 1088 3907 495.9005 495.9165@6.4709997 4671 2455 14046 2469 6838 495.9165 495.9249@6.4925 1196 8311 7417 2768 495.9249 495.9321@6.5122857 2931 1460 4153 1792 3476 2277 1212 495.9321 495.9493@6.4907146 2717 5118 1555 10502 15216 3531 2381 495.9493 495.9654@6.531875 6706 2287 4731 1096 8531 1890 6180 1220 495.9654 495.974@6.5028 1043 2390 2300 1700 3970 495.974 496.0011@6.5010004 4307 1852 10536 17276 10296 18377 7842 7844 2727 2558 496.0011 496.0082@6.4983335 14733 22072 23072 29894 21285 36434 496.0082 496.0148@6.4982996 33872 14413 17829 9543 8997 16981 21731 27371 26289 4011 496.0148 496.0219@6.531 3066 496.0219 496.0293@6.509 32589 496.0293 496.036@5.5959997 4908 5213 496.036 496.0373@6.519 4978 496.0373 Lorazepam glucuronide 3413 3954 3250 3235 3628 3785 2255 1731 3242 3087 2642 2472 1849 2006 3408 2429 2527 2499 1976 2550 5795 5675 2191 1991 2186 2372 2339 2992 3349 1794 1789 3815 2997 2166 3226 2300 1663 3293 3500 2222 2347 1970 2562 3078 3337 4267 4461 2043 1957 3658 3228 2252 2189 1917 2686 3239 3141 2978 2423 2093 2763 2298 3127 3387 2700 2974 5020 4842 3592 2925 3208 2201 2179 1827 2826 496.0406 496.0475@6.5224 23182 1246 1341 6154 13039 496.0475 496.0633@6.508273 22175 16962 7690 23712 12944 16208 21655 1483 25574 5216 1950 496.0633 496.0638@6.542 1921 496.0638 496.071@6.509819 4227 23495 13774 3842 27433 5452 6735 17604 1383 3755 2008 496.071 496.0782@6.514667 14314 14649 1418 496.0782 496.1058@6.5171995 18972 7538 4483 6573 11290 496.1058 496.1101@6.521 6554 496.1101 496.1175@6.506188 20232 18290 12245 21726 15794 18160 14585 25904 14174 6020 35230 24323 23213 5217 8217 19343 496.1175 496.1318@6.522333 8924 4486 3671 6035 16366 8304 496.1318 496.1478@6.5264997 2364 1315 496.1478 496.1575@6.507 9180 17955 496.1575 496.1716@6.5134 16627 12274 2005 13811 3353 496.1716 496.1824@6.521667 2532 5900 16550 496.1824 496.1839@6.484 4463 496.1839 496.188@6.5403333 2235 2853 1222 496.188 496.2224@1.0755 8891 8587 496.2224 496.2333@4.139 4158 496.2333 496.3128@0.99450004 4072 6446 496.3128 496.3353@1.1570001 5107 4899 496.3353 496.3409@6.58725 79889 10374 4240 3757 496.3409 496.3481@1.137 2988 5609 496.3481 496.3568@1.1292499 5451 2213 2772 3390 496.3568 C16 H44 N14 O4 4781 2417 2858 7088 5684 5113 4395 3216 5524 6031 11390 6705 7084 5028 3900 3562 10386 8592 8453 2330 3746 6410 5196 2313 3253 5564 5653 4768 2777 5267 5161 3582 3492 3583 3316 4221 5223 4714 3904 5468 4900 7302 5243 5154 3961 4953 4459 4073 4075 4893 4288 12403 4851 4021 3430 6237 3270 1791 2845 496.369 496.3752@1.108 5424 6675 4945 4034 6300 2878 2988 496.3752 496.4105@1.0515999 10429 29625 21217 14702 18317 496.4105 496.5219@6.455625 10204 1969 56818 1968 3032 86011 70658 1669 496.5219 496.5358@6.415 2341 496.5358 496.6733@6.4589996 1187 1558 496.6733 496.6922@6.5355 1891 2728 496.6922 496.7015@6.53 1231 496.7015 496.7043@6.527 1363 3288 4224 496.7043 496.7275@6.528 1201 496.7275 496.7421@6.526 3415 10826 1371 2633 2991 2887 1604 2107 1099 496.7421 496.7545@6.5218334 1588 2255 6388 6636 8914 7008 496.7545 496.7665@6.533 1913 496.7665 496.7821@6.525 2353 496.7821 496.794@6.5238 1158 13910 3720 3846 8377 496.794 496.8011@6.510727 16463 10987 12051 10795 1309 24089 16649 10033 11707 1188 8313 496.8011 496.806@6.5059233 23545 23657 18278 30490 13817 16252 15511 10755 28299 1993 30515 29623 10888 496.806 496.8203@6.502 25644 16802 21135 9917 14179 496.8203 496.8328@6.52 4360 496.8328 496.843@6.508 12395 2904 11806 12507 496.843 496.8505@6.520334 1193 8716 3548 6113 4130 1031 496.8505 496.8693@6.51375 5627 1678 6211 6561 496.8693 496.8763@6.5045 10130 8738 5151 7974 496.8763 496.8973@6.5155997 6069 10500 7857 12443 2040 496.8973 496.9074@6.514666 13167 4758 9586 496.9074 496.9144@6.5224 9684 2182 1310 3180 2279 496.9144 496.9198@6.5160003 3801 7798 1865 496.9198 496.9366@6.520334 7411 10329 1120 496.9366 496.9407@6.518 11802 496.9407 496.9501@6.5179996 8361 1298 496.9501 496.9601@6.51325 7711 4679 4365 3041 496.9601 496.9715@6.515401 1554 11023 10436 3873 2909 496.9715 496.9827@6.531 1336 496.9827 496.9922@6.5095 4084 2652 496.9922 497.0074@6.515667 2600 9752 1784 497.0074 497.0093@6.502 12663 11053 497.0093 497.0189@6.509625 14130 4487 10317 7800 16108 15338 2798 4315 497.0189 497.0278@6.504 3023 13569 497.0278 497.0393@6.507666 3031 11707 22947 497.0393 497.0567@6.492 11412 497.0567 497.0628@6.506 9532 9829 7209 2640 497.0628 497.0817@6.5158005 6014 1170 16054 9613 8357 497.0817 497.0879@6.5035 6216 2154 497.0879 497.0949@6.501 9550 497.0949 497.1034@6.5062 8063 10876 3401 10384 1405 497.1034 497.1134@6.5 10525 8113 13596 497.1134 497.128@6.5113335 16615 2896 9446 497.128 497.135@6.5094004 8719 8067 12521 8205 4577 497.135 497.1423@6.5078335 10761 4494 7135 11932 3060 1099 497.1423 497.1516@6.5099998 2476 6251 5122 497.1516 497.1677@6.517572 3289 5902 10082 12068 1476 1976 1511 497.1677 497.1816@6.51425 12950 2902 12645 1229 3062 2847 15966 1009 497.1816 497.1945@6.5082855 6471 10879 1235 10460 9295 12133 9133 497.1945 497.2046@6.515667 5935 1889 8201 497.2046 497.2173@6.5113335 6006 3321 9511 3648 7855 5446 497.2173 497.285@4.2763333 7419 8091 3497 497.285 497.2872@1.325 20981 19966 497.2872 497.2898@2.713 2877 497.2898 497.302@3.236 14236 497.302 497.339@6.104 10237 10706 497.339 497.339@6.277 14790 15519 12885 497.339 497.3423@6.4065003 18724 16586 22946 19726 31703 22335 13953 17332 18555 16467 21083 21169 26074 23537 17907 11055 19020 32661 497.3423 497.3549@1.206 18237 17321 497.3549 497.3741@1.094 71769 497.3741 497.377@1.1253928 70939 69518 2649 23960 22508 23886 3343 4443 7438 2586 2192 7503 23738 50064 48733 48240 54293 22470 41758 2256 15091 8154 44666 45165 36781 60216 20583 10318 497.377 497.3791@1.0932 66208 11387 11046 50499 33853 2505 7058 7290 11545 28618 2782 78462 60485 81509 43383 11694 32653 37623 7012 7271 497.3791 497.3946@1.1159999 3879 6834 1782 3903 3577 7043 8922 7314 7073 4176 2734 2604 6205 7233 8048 7990 2583 2443 7466 497.3946 497.3994@1.048 4798 4663 4110 9298 5373 6292 5711 497.3994 497.4077@1.040927 4659 10327 9632 8481 7906 7930 8197 18826 4169 4609 6440 10108 5946 2303 3544 8149 8859 5507 9272 7235 8073 2916 9208 5321 5112 4283 4204 3225 9604 9237 6381 3652 4421 3987 3239 5189 4617 17686 6875 7252 7891 6462 7355 5228 2715 9997 10019 3019 11297 12684 5816 5124 5618 6352 497.4077 497.52@6.519 1886 497.52 497.5372@6.5222 1299 1881 5143 7942 1731 497.5372 497.6362@6.501 4838 497.6362 497.659@6.5176673 3188 2389 1643 497.659 497.6671@6.5112853 3190 4646 4603 5829 4134 2489 2372 497.6671 497.6841@6.507 9112 7557 5964 497.6841 497.6979@6.5058565 2758 1952 4507 4648 3669 2538 3423 497.6979 497.7132@6.5078 5736 2071 2311 2736 2695 497.7132 497.7172@6.493 3407 497.7172 497.7245@6.508 1496 4458 9972 4710 4650 3369 5648 497.7245 497.7316@6.5086665 5235 1387 4996 7318 7066 4193 497.7316 497.748@6.5062222 4248 3086 1089 6464 4467 1675 6687 3384 5402 497.748 497.7639@6.5143337 5875 2406 3549 497.7639 497.773@6.5115 3737 8396 497.773 497.7793@6.50625 6777 3708 9242 5012 497.7793 497.7956@6.5036993 7224 3449 6650 2481 4660 5795 7316 11684 8229 3677 497.7956 497.7993@6.5050006 1905 6229 5565 5639 4878 5934 7312 497.7993 497.8107@6.49925 5253 3076 3020 12063 497.8107 497.8205@6.5004997 8243 6381 497.8205 497.8318@6.5080004 3180 6152 3106 4857 9928 497.8318 497.8448@6.5075 6468 4196 7033 3599 497.8448 497.8526@6.503778 5232 5903 4618 5270 4771 11210 4092 5977 7523 497.8526 497.8645@6.509333 7606 1200 4171 4885 4070 1733 497.8645 497.8793@6.51 3471 4217 5257 497.8793 497.8817@6.5030913 6797 4457 9111 7127 6384 6536 5637 8271 5988 5964 1591 497.8817 C15 H2 N2 O14 S2 40334 41375 42795 42586 44492 43427 46603 46057 44399 44390 40223 39965 41302 42439 42331 41931 42012 42307 41740 43212 41411 40988 44238 44326 46222 46622 45574 45057 47351 47204 39312 39845 41982 42856 47983 46588 46786 45625 49031 49021 42216 42232 39806 39817 44061 45593 41829 41620 46307 45748 46280 46090 40527 42128 44427 43518 44636 43779 44896 45073 43390 44017 43558 43195 50184 52695 42894 44101 40249 41309 44196 44102 47191 46044 42787 42209 44310 43074 43423 42351 43480 47411 46397 47298 45450 43963 47288 44547 47229 47084 43783 43588 497.894 497.9059@6.5105 4697 3551 3959 1407 497.9059 497.9173@6.50025 7010 4905 4843 3577 2936 5687 5162 4504 497.9173 497.9314@6.5049996 3907 7216 3924 2730 497.9314 497.9392@6.514 1660 1106 497.9392 497.9511@6.501666 3214 4931 3205 4594 5067 6107 4532 3726 8476 497.9511 497.957@6.505111 3113 5527 3657 1007 2868 5368 6211 2289 2340 497.957 497.9656@6.498 4430 497.9656 497.9763@6.5065002 5013 3328 1803 7553 4131 2095 497.9763 497.9928@6.498364 3494 4155 4659 2846 5110 2507 18394 5728 4924 15053 3938 497.9928 498.0045@6.5015 4896 5561 498.0045 498.0074@6.502222 3892 5448 7280 4850 2388 6789 3662 1711 2010 498.0074 498.0196@6.496 2232 498.0196 498.029@6.5009995 3359 6554 3221 5020 4879 3783 5729 498.029 498.0354@6.5031996 2032 3829 2003 3200 1434 498.0354 498.0452@6.513 4603 498.0452 498.0558@6.5075 9916 7031 6182 1381 1367 7696 498.0558 498.064@6.5056667 4051 5196 7230 498.064 498.0786@6.499 3195 498.0786 498.0797@6.5098 4574 2924 6222 1373 4300 498.0797 498.0924@6.5025554 5196 3659 3194 7445 7728 4798 8205 1615 2431 498.0924 498.1018@6.505833 2797 2724 4452 3309 3624 1578 498.1018 498.1027@3.1655002 5332 5752 498.1027 498.1164@6.495 4643 498.1164 498.1231@6.506 2699 1994 4239 4602 498.1231 498.1365@6.5028 6263 7177 3028 2877 3480 498.1365 498.1524@6.506 5058 498.1524 498.1794@6.500272 9810 5873 4810 4192 9066 11664 2972 2504 5221 7914 1121 498.1794 498.1893@6.5009995 5047 4639 4014 4025 2008 498.1893 498.1985@6.502333 2524 6148 2753 498.1985 498.2051@6.509 3468 5747 498.2051 498.2108@6.4993334 3375 5099 2930 3984 3552 4828 4732 3432 5580 498.2108 498.2213@6.529 2139 498.2213 498.2231@6.5080004 2575 3223 498.2231 498.2358@1.0585 27512 25746 35344 32230 26686 26766 105656 104837 33529 32719 498.2358 498.2387@6.511 2336 498.2387 498.3213@3.898 6432 498.3213 498.3434@1.0556 17383 15568 2293 3156 4437 498.3434 498.3459@6.4070816 2412 2484 2393 3025 3350 2810 3298 2472 3062 2900 2106 2167 3014 3509 2566 2524 2365 3020 2984 2864 3030 3127 4042 4174 498.3459 498.3519@1.1497778 3207 1880 4340 11794 2795 1829 4973 3557 4335 498.3519 498.364@1.1582727 14961 4633 2374 2227 4533 8081 4863 3477 3841 4389 24508 498.364 C21 H51 Cl N8 O3 10987 10252 32847 5363 20833 11242 10921 10905 10789 4510 15046 11240 20868 12609 11867 16432 14470 14130 9817 9308 25706 22632 23971 22598 5949 23251 4547 17532 3233 4994 19496 14579 16486 18836 9992 7251 5728 498.3759 498.3789@1.063909 14410 12226 11352 21612 18364 14061 12723 18268 9994 13635 6868 498.3789 498.3818@1.0585501 14823 15586 47495 23881 14554 16989 11067 17479 18485 20188 5502 8538 3990 9784 5510 22799 14217 6342 9191 7322 498.3818 498.4021@1.0357777 4765 4534 9892 6889 7743 6950 5553 5620 5227 498.4021 498.4032@1.0343333 4371 4399 5265 498.4032 498.5041@6.494 1728 498.5041 498.5245@6.5032997 2323 5487 1095 3068 4107 2779 4147 3056 3167 4372 498.5245 498.533@6.508 2023 498.533 498.5452@6.5014167 3990 3095 3324 4109 27475 3243 3152 4396 4436 3115 2261 2341 498.5452 498.5539@6.5049996 1040 3997 1944 498.5539 498.5625@6.497 2037 498.5625 498.5739@6.512 3737 498.5739 498.5907@6.5056 3089 1818 5181 3283 2263 498.5907 498.6154@6.493 2623 498.6154 498.6526@6.500667 2719 2260 1981 498.6526 498.6602@6.504857 1562 2025 1218 3235 2055 4729 1690 498.6602 498.6745@6.497 1845 498.6745 498.6849@6.5035 3802 1648 3831 2023 1315 4432 498.6849 498.7007@6.5050006 4044 4997 1951 5153 3803 5024 498.7007 498.707@6.503667 4577 3309 2984 2754 1544 3580 3413 3532 2776 498.707 498.7196@6.4979997 2291 5408 2897 498.7196 498.7374@6.5052004 4796 2449 1666 2053 1432 498.7374 498.7429@6.4982004 1691 2325 4226 1435 4509 498.7429 498.7554@6.5073333 1010 3662 1737 498.7554 498.7569@6.506 3830 2582 2756 498.7569 498.7723@6.499 1351 2254 3230 3813 498.7723 498.7886@6.501 3891 498.7886 498.8033@6.5050006 2100 1657 3483 498.8033 498.8186@6.5055 1537 3787 498.8186 498.836@6.5026665 1651 2054 2604 498.836 498.846@6.5103335 4272 2885 2272 1089 1872 2313 498.846 498.8779@6.5078754 1704 3323 2629 1976 1365 2111 4794 1886 498.8779 498.8822@6.513 3732 498.8822 498.8846@6.499 2523 2041 2135 498.8846 498.9074@6.502 1818 2866 2756 2502 1756 3990 1869 498.9074 498.9174@6.501 1672 498.9174 498.9212@6.504167 3046 2041 3440 2486 2841 3798 498.9212 498.9484@6.496 2606 498.9484 498.9623@6.509 2434 1799 498.9623 498.97@6.5002 2432 2044 2257 5158 2503 498.97 498.981@6.501667 2186 3037 1277 498.981 498.9873@6.5015 3104 5348 498.9873 498.9958@6.504667 1237 1689 1218 1371 2843 3048 498.9958 499.0106@6.5015 2695 3205 499.0106 499.021@6.5065002 2009 1997 499.021 499.0428@6.512 4513 499.0428 499.0577@6.506334 2339 1630 4644 499.0577 499.075@6.509 3215 1908 499.075 499.0821@6.5 1399 1253 499.0821 499.1041@6.521 2165 499.1041 499.113@6.5002503 2110 2024 2156 3084 499.113 499.1262@6.513 1011 499.1262 499.1387@6.5013337 1370 2826 1889 499.1387 499.1546@6.498333 4741 7566 1877 2151 4769 2778 499.1546 499.1607@6.5004997 3016 1976 499.1607 499.1712@1.5985 3713 4766 499.1712 C24 H21 N9 O4 2017 2373 3681 3614 2771 1991 2665 2410 1858 1650 1424 1323 2528 2166 1588 2717 2090 1387 1389 1973 2078 1256 1975 1907 1544 1817 1197 1601 2605 1927 1363 1438 1811 1650 1294 1968 2269 2562 2639 2274 1460 499.1721 499.1825@6.509 2276 1881 1383 3056 499.1825 499.1985@6.5026 1748 1924 1845 1980 2455 499.1985 499.2018@1.16775 1829 8567 8041 499.2018 499.2059@1.1536666 6170 2131 499.2059 499.2115@6.502 1928 499.2115 499.2721@5.4031897 4746 6277 7673 3245 4031 4664 4836 4663 5185 4849 10844 6938 5625 5831 6150 6752 3491 4528 4957 4102 3368 499.2721 499.276@4.141 35639 36646 499.276 499.2998@3.2384799 15210 19536 21509 21583 5968 6401 27237 26877 8144 11244 10654 17470 17853 6319 12091 8868 5029 15938 19472 5547 7209 5565 5600 9738 7367 499.2998 499.3539@6.2235003 25407 22265 499.3539 499.3551@6.17 20382 27550 499.3551 499.3552@6.053 38751 35799 499.3552 499.3579@1.1900768 2441 1899 2174 2936 6475 2314 3877 2323 2469 3577 4237 2257 2355 499.3579 499.3682@1.1944546 3541 2660 1594 4287 7918 1452 2015 2312 4255 2339 2100 499.3682 499.3801@1.1035 11022 1718 2986 3842 17872 10889 499.3801 499.384@1.11 6949 499.384 C25 H45 N11 12215 12971 13126 13437 10287 14953 18521 10360 10145 18261 19036 21421 20676 5076 12937 20848 25530 10000 7412 15494 7707 3975 13332 12872 19675 19722 12130 11773 19468 15430 15469 9699 12825 13154 10748 9046 6370 22253 17850 16922 21470 21352 14533 15221 15316 8889 6653 16307 16045 16812 13685 18074 14123 14489 499.3864 499.4029@1.033 2633 499.4029 499.4828@6.5030003 1574 2112 499.4828 499.5064@6.512 2121 499.5064 499.556@6.5036664 2953 2446 1695 499.556 499.5786@6.494 1607 499.5786 499.6655@6.514 1221 499.6655 499.6833@6.495 1623 499.6833 499.6966@6.499 2585 499.6966 499.74@6.508 1877 499.74 499.7486@6.487 1051 499.7486 499.7781@6.501 4194 499.7781 499.7957@6.502 1463 499.7957 499.8415@6.497 2835 499.8415 500.129@0.852 11764 12030 500.129 500.1311@4.256 17388 19513 500.1311 500.1314@4.1775 5669 4578 500.1314 500.199@6.016 7105 7472 500.199 500.315@0.911 8141 6394 500.315 500.3344@1.1888571 5818 3751 3489 4905 3477 2908 2808 500.3344 500.3392@1.1861 5698 4373 3628 4499 4865 3211 3011 3140 3258 10943 500.3392 500.3566@1.1451539 3781 4258 2886 24166 3732 4167 3475 3745 1872 5904 27773 8262 500.3566 500.3648@1.10475 4409 30487 10531 18169 500.3648 500.3741@1.1020589 7677 10199 26480 10777 16721 15407 10150 10132 16225 13778 9199 9275 8646 10177 9486 13372 14523 6346 9756 10365 9777 11232 11951 11590 10463 47907 62695 27368 12770 11390 14303 43405 9737 7965 500.3741 OLEANANOIC ACID ACETATE 13379 7807 26463 16180 98613 16956 34267 45226 113835 16855 21760 67034 96761 22221 24666 40233 20290 19538 11728 20221 20393 24124 25291 18749 11517 19795 44529 17367 36204 11720 40756 44224 43134 16558 16142 83792 28112 16910 36713 16311 16601 20948 5027 80635 3604 86594 5531 19521 3534 17577 500.3868 500.3926@0.9886273 1826 2447 2047 2883 2892 2621 2057 111106 4132 3240 4419 3906 3863 3178 5896 5065 3673 4869 2700 1794 1719 1944 1971 3419 3605 3662 3888 4652 2657 2349 2952 2529 2742 3047 3550 4639 4818 2226 2561 4283 3617 2301 4623 3552 3101 4400 5168 4214 4193 3875 500.3926 500.6844@6.485 1777 500.6844 500.9416@6.503 2753 500.9416 500.9997@6.496 2220 500.9997 501.2156@1.587 3880 501.2156 501.2158@1.4927499 5522 5703 5837 501.2158 Fexofenadine 23795 25785 22881 26494 21093 22907 46897 41904 30078 29052 44152 43677 32299 33290 17945 16520 27697 27436 23260 23377 36566 37238 19715 20891 16488 15847 26854 24360 31465 32106 27388 27900 20883 20895 30178 31166 17210 15740 23631 25687 26166 30895 17455 18431 13694 14469 25761 26041 34139 33979 14384 15044 20988 20809 38215 37422 33307 33389 29834 30672 27145 27954 22056 23465 23636 24626 24838 25589 19842 18887 40727 41672 12599 13401 20770 20712 53508 55810 49488 27091 29948 22246 21734 21581 20727 20984 18793 18518 40401 2887 20930 20266 HMDB05030 C06999 501.2898 501.291@5.247333 1739 2831 3117 2467 3293 3256 2185 2808 2357 2708 2504 2987 2538 2464 2514 3217 3199 4024 4171 3670 39234 501.291 501.2938@4.1335 1487994 1508482 501.2938 501.2984@4.256 3532 3811 501.2984 501.3023@2.3730001 6643 6669 501.3023 501.3197@6.341375 4313 6689 6760 6496 7063 4246 7594 9873 501.3197 501.3348@6.8345003 13211 11801 501.3348 501.335@6.736 5448 5716 501.335 501.3377@6.5025306 4337 7815 8085 7754 8451 8543 8370 5852 6673 5504 5179 7549 7705 8260 8350 5179 5251 501.3377 501.3381@5.1103334 4202 5262 8844 9697 17016 16584 8183 7286 11687 11931 17208 16724 2708 6253 6149 6122 7026 6445 4911 16990 16533 8274 8507 2947 501.3381 501.3385@0.907 11949 12819 501.3385 C26 H51 N3 O2 S2 8025 9264 8498 8570 8711 8530 8412 9592 9088 8731 8427 9549 8575 8344 6060 5342 7317 7300 8906 8864 7196 6027 6296 7501 5816 5252 6537 8252 8420 8337 8585 9393 9454 6909 6829 10396 9352 8791 8010 7856 6605 5911 8087 7436 7130 6124 5510 6485 5595 5982 4194 4170 5875 5188 6363 6736 8878 9928 9172 9440 8016 7618 8730 8292 10106 9487 8357 7640 5287 5001 6338 6124 8683 8419 6400 501.3418 C23 H47 N7 O3 S 8573 9293 10571 7180 19464 22425 6705 6948 15134 22409 10038 9724 7856 6448 11710 8864 29263 27153 85563 91452 11075 17535 25844 19788 16801 36610 35434 3999 5446 7982 8131 21727 22471 3750 19967 20255 10806 10753 18571 12702 9122 13495 12837 44840 32139 11769 10153 4548 2610 11136 11238 11019 9645 14738 39935 39314 7659 7564 13358 10886 7263 11269 10898 8088 1700 12160 5088 4756 9586 5468 7108 7135 3307 28967 21965 9096 10629 9539 14492 12074 8248 7553 501.3447 C19 H43 N13 O S 6070 6286 4503 14563 8647 4442 3637 4277 3800 6959 13673 10242 61911 57262 7547 20214 18766 11318 13467 26163 23821 4555 4732 12767 7059 5227 12188 12111 9332 7952 14866 35185 5095 6052 10497 8712 22930 6375 7369 2824 7450 14975 6234 25487 24682 4663 3865 8948 7311 4476 4877 6092 11054 5018 3839 9337 6112 6033 5394 4579 5981 18051 16893 6288 6230 4069 3623 501.3456 501.3462@3.829 5217 501.3462 501.3579@1.025 1956 501.3579 501.3679@6.414 10090 9517 501.3679 C28 H55 N O2 S2 3473 41729 36179 40044 4051 4093 33401 32550 66168 64697 5736 5479 8440 7702 14851 12133 28832 62776 46323 48205 6425 7450 5684 3982 5156 5497 26377 25460 48651 56442 6664 8262 48671 78132 78625 64137 41523 38317 38993 31493 34140 42001 42277 42091 501.3694 C25 H51 N5 O3 S 64860 1377 108369 104938 62479 62377 77479 3980 4395 41272 2031 24174 111480 1459 606958 608434 2591 2265 1637 1458 153833 147921 285759 1601 18390 64785 1683 76790 74940 2499 2235 72726 72064 1659 134908 137272 38215 37006 123111 131497 127812 42858 41313 59145 60014 502212 505464 50222 1705 2550 1221 189612 1147 46730 2393 1349 1612 49510 49785 58486 1790 70406 64860 41855 41030 2265 42234 1896 1731 33244 14985 2007 35046 1563 2793 44004 43029 2251 2424 68387 1323 42227 501.3702 501.3704@1.1999999 109703 112156 189844 501.3704 501.3781@1.1383333 1600 2659 2060 501.3781 501.3944@0.808 2261 501.3944 C35 H51 N O 13129 25591 19655 19840 18588 23195 11412 10681 23485 24493 13402 23184 23086 10717 18625 18212 9678 15423 17210 17615 12212 18572 1945 4938 18350 17324 20110 14426 19202 25138 25050 28049 27096 17063 16488 4931 14340 15968 14132 501.3968 501.3998@1.0874286 24710 17200 23384 19784 17418 30188 29848 501.3998 501.4868@6.49 1744 501.4868 501.5586@6.504 2990 501.5586 501.5662@6.5055 4557 4915 501.5662 501.6727@5.1098094 3032 6917 6740 12423 11517 5256 5154 7591 7352 11327 11638 4732 4676 4839 4660 4160 4044 11772 12834 5747 5566 501.6727 501.6896@4.152 3442 501.6896 501.7325@1.197 1863 501.7325 501.8188@1.201 2287 501.8188 501.8341@1.197 2765 501.8341 501.8459@3.7942863 6047 4547 3854 3199 7735 30639 29767 8722 9794 6359 5699 14293 13324 5336 4249 6843 6363 4026 5260 5104 9521 8751 3331 3528 5205 12445 12650 4321 2822 6746 7050 9383 3202 3277 8880 501.8459 C12 H6 O12 S5 3871 3902 3614 10427 10571 3732 4816 7133 4343 4792 5155 5012 5014 12406 19245 45750 45873 9034 8030 11282 12742 7195 9843 19897 18019 4416 4375 9920 9677 14538 8843 8547 5623 8032 9176 5314 8123 7173 6991 19847 5037 4865 4781 5038 4504 8324 3907 3686 16365 19442 3114 6688 6620 9789 4411 3446 4348 5481 4399 5331 13326 13595 3663 5566 5379 501.8462 501.8679@6.508 2139 501.8679 502.0077@5.1115 4986 5381 3509 3118 6838 6001 5479 5923 502.0077 502.0087@1.199 1761 1159 502.0087 C13 H22 N6 O9 S3 4898 5248 4870 5225 5330 5643 3143 3273 4894 4816 3420 4610 4463 4428 5762 5807 5337 4942 4819 4831 5368 6336 3971 3715 4355 4627 4496 4927 4135 3486 5339 5515 3689 3611 5747 5669 4543 3959 4893 3595 3961 4226 3756 5116 4679 4037 4159 3927 5129 4369 6190 5934 2983 3103 4035 3367 5073 5077 5148 5202 4191 4788 3402 3314 4786 4902 5226 5414 3492 3174 3094 4183 3919 4245 4980 4755 4683 5086 4816 5228 5603 5035 4272 4643 5360 5140 3911 4271 4060 4115 3215 3820 502.0617 502.0748@4.153 1560 502.0748 502.1519@2.006 2285 10356 502.1519 C28 H26 N2 O5 S 4715 4588 18299 13383 9874 9907 5236 9504 9384 8261 8425 17776 17030 9712 7100 9412 4326 9894 10622 6465 6824 7444 8015 8858 8585 10984 11131 3635 7967 9366 9773 9676 8239 7990 4405 17489 7608 8518 6620 2607 10815 5101 6591 8579 8831 3662 6796 10895 7886 2205 13929 14165 9569 9640 3540 14185 9524 10071 18683 13314 6676 8934 3406 12547 14863 14777 7558 8046 9256 9637 7007 2616 11508 11450 6981 15667 16133 21886 22735 20899 16152 9630 10279 9682 9724 10455 26324 502.1573 C33 H26 O3 S 10834 10286 4120 4535 13884 9529 2521 13350 6442 4432 4515 5504 3899 8236 13150 8439 5922 3592 4184 5925 1604 9530 2059 7409 8568 8791 502.1591 502.1814@2.818 16547 502.1814 502.1846@2.746 22205 9999 12838 502.1846 502.186@2.7385 16942 4614 502.186 502.187@1.2471666 9897 11383 8034 8011 13469 502.187 502.2579@3.229 12710 502.2579 502.3041@4.405091 4319 13024 12965 172605 171098 40718 40694 6385 4437 14709 14114 502.3041 502.3304@0.967 2725 3095 502.3304 C18 H42 N14 O S 1627 12107 9143 21551 3883 12254 7196 13217 8713 10297 21056 51707 8015 18265 33541 6425 8600 11243 7519 25124 15223 6257 14558 16069 44635 29676 17279 12215 6453 10433 10039 13480 9343 14364 39820 15247 49379 13969 17771 36757 14079 12713 17005 88866 11321 9353 54975 48692 21023 23142 4181 20934 6216 29554 502.339 502.3453@1.1244614 32150 12160 17370 32417 10292 11615 15833 7673 18478 9994 19985 17746 12828 502.3453 502.348@3.7443333 7804 5554 6307 502.348 502.3576@1.1207223 56719 43496 12420 56497 22453 24661 12907 43956 43929 35964 18979 14630 46236 46562 52120 13896 11202 13242 502.3576 502.3648@1.1170001 7215 11911 502.3648 502.372@1.1146 24925 10929 12901 13463 29601 502.372 502.3815@1.11 10466 18399 502.3815 502.3922@1.0784 13934 16002 19663 37163 44340 502.3922 C27 H55 Cl N4 O2 43592 90590 88457 61386 72031 68070 77966 51306 67136 66671 29375 28570 43367 53551 28722 36871 72378 50956 65755 76869 41078 36621 52997 38728 37142 40139 46122 47032 46180 34701 29286 65571 55958 44978 39255 31440 56677 60184 80035 40433 59085 32231 53555 65048 70247 53500 50794 94367 88574 66567 78023 43353 37468 51764 71048 58892 30814 16963 49384 50561 44168 51448 57165 502.3971 502.5641@4.138 4352 502.5641 502.7072@4.12 1298 502.7072 502.7575@4.138 2443 502.7575 502.8045@1.199 1458 502.8045 502.845@4.122 1849 502.845 502.8508@6.498 3890 502.8508 503.1604@2.02 5146 6267 503.1604 503.2337@3.7056668 19460 16991 16540 503.2337 503.2618@7.0097494 37884 38772 14428 14680 503.2618 503.3026@5.366 3874 503.3026 503.3028@6.5384 7881 8749 8016 10564 5125 503.3028 503.3178@1.0120001 7065 13431 81150 95686 503.3178 503.3291@5.868 6671 7459 503.3291 503.3377@6.627 2269 503.3377 503.3464@1.1225 4360 4003 503.3464 503.3603@1.0956665 5557 9663 4036 1800 1160 2552 503.3603 503.362@1.1231999 21533 23698 4938 2407 3496 503.362 503.3836@1.075 8888 503.3836 503.3922@0.989 7065 503.3922 503.4024@0.99987495 5634 1662 10309 2151 2005 2225 2447 3508 503.4024 504.101@2.6729999 27488 30480 504.101 504.1552@2.7116 3111 3689 7289 7297 6446 2651 5438 4590 3343 3985 504.1552 504.185@1.205 6205 7213 504.185 504.2015@2.9436667 732355 672308 625367 504.2015 504.2026@2.7703333 1632591 1613237 1414099 504.2026 504.2731@3.4469998 73472 72149 27585 19550 504.2731 504.2909@0.913 8073 7819 504.2909 504.3232@1.0175 3224 14353 504.3232 504.3449@1.116 38889 504.3449 504.3482@1.1278332 20906 13139 29179 29915 28558 33921 16721 15517 24769 24333 29522 29265 24251 17887 16851 14278 20996 30233 18983 108214 32223 3965 92432 10456 504.3482 504.3578@1.112 40555 504.3578 (22E,24E)-1alpha,25-dihydroxy-26,27-diethyl-22,23,24,24a-tetradehydro-24a-homovitamin D3 / (22E,24E) 2755 14142 4613 19401 32596 31007 25925 20442 26039 30864 41664 66541 18455 2525 9359 34434 28378 22737 24535 31768 8735 2458 2984 4059 108476 26865 112741 42730 25146 23887 70874 18932 120267 15796 21913 10119 32143 24281 7816 39895 34107 39674 30593 211783 23405 20450 28356 17019 25168 23093 2440 6107 22994 LMST03020513 504.3581 504.3662@1.138375 4484 145485 41511 39090 20557 19399 3913 6502 504.3662 504.3781@1.141 5466 19764 504.3781 504.38@1.078 53480 504.38 504.3805@3.3856666 4380 4525 4852 504.3805 504.3838@2.991 3614 504.3838 504.3947@1.05825 18074 11772 29682 16637 504.3947 504.4071@1.0523334 33616 36441 9823 11366 15314 17030 14235 6591 10660 42417 29687 20659 28441 41265 14879 32317 30670 12335 504.4071 504.415@1.046 18629 504.415 504.4638@2.755 9328 3699 504.4638 504.6955@2.784 4159 504.6955 505.2753@0.835 2629 505.2753 505.2761@3.513 3660 505.2761 505.3519@1.1355715 4294 13664 8847 4147 1265 1357 4599 505.3519 C19 H39 N17 5232 5123 5003 4313 5249 5447 5249 5336 7669 6707 11841 12633 4408 5296 2802 6435 6157 8167 7576 6384 6291 5086 5145 5978 5620 6010 5700 9177 9119 7834 7656 4545 4338 9534 9270 4191 4657 8279 7334 10337 8922 3376 5493 4473 7115 9619 4221 4540 5843 6386 4168 4719 3488 3473 7770 7435 5914 5315 6676 6782 6092 6403 9386 10628 7036 7493 11383 9585 9136 10328 3624 3595 7981 6697 10360 13127 13850 14025 4925 5217 4443 3462 4214 8523 8715 12609 14315 3927 4468 505.3574 505.3586@1.12325 6705 8670 13659 10019 505.3586 505.3652@1.1124998 10684 11192 11770 12643 8140 7276 25864 25678 13313 9878 10746 17333 18830 13944 12093 14730 15487 14027 11231 13604 10607 9897 10386 14317 11680 5451 20670 17732 21652 21184 505.3652 505.3741@1.0805835 7280 15552 4272 3975 4940 11986 5279 5150 5307 4879 18640 8033 505.3741 505.3867@1.0715 13000 8465 11466 8377 8794 505.3867 505.388@2.731 1061 505.388 505.3941@1.0663 12590 4525 11469 7469 11057 5456 6531 4814 11496 13161 505.3941 505.3963@2.738 1080 505.3963 505.4026@1.0531001 59411 3645 9007 8227 8742 11146 7433 9943 13324 123501 1741 1223 119676 8019 4027 2223 3689 3883 28110 5206 165504 3817 10731 2534 2981 5467 4121 3880 4612 6667 505.4026 505.4132@1.0486666 7751 4448 6433 505.4132 505.4178@1.0365999 3316 4226 1876 2096 2253 505.4178 506.1607@2.7015 3942 3283 506.1607 506.1721@1.258 6159 5904 506.1721 506.1829@1.1705 5985 6418 6192 506.1829 506.1962@2.876 10169 506.1962 506.1964@2.924 19892 506.1964 C36 H30 N2 O 4951 18403 17730 6792 7125 7885 8573 11157 16596 3726 3171 27031 26054 6390 5526 6369 6779 6283 5939 13781 12042 3581 1726 7336 8346 13506 15028 6245 5441 38808 39774 7878 8180 8676 9091 2417 4122 4242 4991 7632 4313 3400 14226 13276 1916 8244 8139 8946 9139 10047 9936 3789 5401 4773 3348 9091 9418 22823 24053 6347 7766 2495 2405 2892 14202 14823 9138 8672 15249 15750 10115 9975 506.235 506.2534@1.629 4799 4364 506.2534 506.327@1.018 1703 506.327 506.3301@1.2003182 7807 6785 4191 14649 11643 13202 6731 5349 6016 5381 10330 3862 6056 4872 4848 11498 7855 5246 4873 4916 4802 4467 506.3301 506.3412@1.2019355 7135 8692 5214 2594 5557 3350 9323 1981 5761 3359 3135 3599 7483 6132 6088 6455 12057 7312 3133 6421 6661 5263 7032 4268 5151 7643 7160 5171 3779 3602 2914 506.3412 506.3472@1.2066666 3615 4564 5384 2586 9436 8725 506.3472 506.3627@1.102 56093 506.3627 C29 H56 Cl2 O2 35445 25972 35595 33758 10656 74054 14205 22468 14471 52077 54281 33842 37341 6582 7921 19448 18953 76006 35161 55973 30769 26459 146013 24725 33261 36820 9222 20680 25690 22360 22964 48527 28254 37232 44998 43639 11977 36004 37090 39099 37719 26837 47977 42983 51932 38113 67915 57981 506.3631 506.3638@1.0855939 8498 36846 24879 119607 53541 23826 54957 22707 43472 87183 126720 26912 6200 47930 38240 45682 55085 22077 26893 13703 25708 8048 52844 20283 9142 8550 7231 22896 17313 36376 16125 24614 10590 10702 10966 57208 34417 35809 47158 67500 54334 11948 68397 43878 63999 55021 42475 44299 45406 44328 74897 48329 9333 11025 10578 101416 43860 17399 14845 8933 10116 11808 8749 506.3638 506.3655@3.9386 7200 6115 9906 9010 7338 7033 6097 6573 13034 12253 506.3655 506.3737@1.0688 9228 13205 13626 14754 16046 506.3737 506.3748@1.0656 9720 6394 12930 12425 8863 506.3748 506.3918@1.045 2220 506.3918 506.3992@1.0406364 2662 3650 1814 1842 2639 3492 3066 3866 1319 2016 59921 2132 1765 2441 3115 1873 2250 1894 2202 2482 23078 3158 506.3992 506.4071@1.035 2555 2191 2244 2403 506.4071 506.4103@1.03125 1834 1420 3098 3251 506.4103 506.864@3.938 5401 5934 506.864 507.0098@1.5085555 4171 3684 4352 4618 4068 2594 2930 3417 3109 507.0098 507.1901@6.025 14141 14356 507.1901 507.1905@6.5214996 5475 5175 507.1905 507.2577@1.1333001 5206 3056 4999 5056 6581 2272 3243 4357 3380 1585 507.2577 507.309@1.155 3189 6548 507.309 507.3252@7.2536154 3415 3891 7770 7430 2972 3451 4135 3943 3264 3253 3245 3633 3732 507.3252 507.3351@1.1600001 1823 1852 507.3351 C18 H37 N17 O 23806 23913 27227 27569 28348 25051 27218 21866 21085 25492 31269 31249 23974 20459 22220 19319 19501 22244 18860 21013 19371 14022 20168 21212 15316 17544 21428 16073 25172 21190 23859 22169 20984 20049 16332 15846 16870 20619 25789 25518 27467 27701 19049 20615 29606 27868 26644 27034 29822 29219 18731 18346 17769 17543 21690 21532 21646 19702 26032 25032 26181 24628 26000 18289 18751 22108 20973 31284 30038 15923 15487 21973 20725 21412 20833 23626 24142 18605 14951 19554 16438 17785 27519 20404 33351 33794 20640 19415 507.3372 507.338@1.1185 1529 2695 6659 4275 507.338 507.3382@6.4318576 2819 23411 13624 7379 25972 3200 5045 507.3382 507.353@1.144 1789 507.353 507.3616@1.1673001 10968 11196 12332 11275 6228 5002 9543 6389 10699 9451 507.3616 507.3695@1.1506667 4127 1982 2184 507.3695 C26 H57 N3 S3 37677 39458 51774 51451 43686 43281 47323 48313 48058 42044 56335 68099 39082 42453 20636 20803 34933 36237 40178 47116 33329 34011 24624 24687 30622 31519 34989 35420 41117 42828 51174 50252 37803 37856 71007 65435 31046 30630 80809 76899 70009 73001 30079 32042 52282 51040 52715 52927 30377 24208 39725 40283 30802 35631 20465 20419 42092 40320 70193 78551 51164 52816 29103 36161 49744 51285 61235 65211 75595 69191 52079 55949 25476 26351 55180 55780 62774 66709 81071 77633 45691 32842 44414 28385 27092 61599 62141 60922 60666 30506 507.3722 C25 H53 N3 O5 S 3684 3400 2663 5836 5497 4669 4641 5815 5998 3843 3699 3013 3885 5591 5791 4106 4168 2967 6526 6370 4629 5123 5142 5684 6200 6198 5202 5356 3072 4580 4893 3988 3737 4016 4058 5375 5180 5319 6206 4075 4389 3175 7541 6957 3828 4372 7281 6999 4660 5151 4578 5065 6262 6310 8351 8375 3832 4523 3886 5258 5037 6571 6124 33097 507.3725 507.3772@1.1265 28441 1610 507.3772 C37 H49 N 9646 18218 14187 15376 16710 15312 16763 10145 10910 10932 15306 17640 30765 18662 17214 22510 37074 26509 11087 11389 16258 18125 14747 13818 8118 5394 4416 11006 15063 17975 19047 11896 13147 19365 13427 10380 19288 13694 10024 22213 15189 27655 14479 30478 27833 27918 20753 33612 30665 23881 24462 25595 17276 12172 21777 28603 27654 12062 26171 5718 8039 8583 507.38 507.3941@1.0594444 10062 8089 8224 9291 19439 29577 27143 8219 7436 507.3941 507.4049@1.03 1637 507.4049 507.4279@1.181 1801 2712 507.4279 507.6577@7.2546005 2630 5037 4922 3047 3034 507.6577 508.0825@5.6107144 1750 1547 1704 1929 1571 1976 1767 1585 1745 1744 1894 1773 1660 1961 508.0825 508.2171@7.00925 9649 9884 3284 3043 508.2171 508.2676@2.927 5273 12359 13055 508.2676 508.3318@1.018 4889 508.3318 508.3327@7.57325 3728 3808 4219 3861 3941 3976 4537 4526 508.3327 508.3411@6.49 5005 508.3411 508.3519@3.7105 11303 9707 508.3519 508.3662@1.1980001 9915 4009 3769 4288 6566 5369 508.3662 508.3696@1.166 3328 508.3696 508.3789@1.1195518 22394 96922 10499 10645 43246 12493 14880 51113 34671 3942 5463 22926 16417 35386 10176 5349 25776 73422 10629 3032 13212 45384 5444 7110 9077 71485 37185 18035 22261 508.3789 C35 H53 Cl 47499 32053 40027 33475 57454 41416 41863 28908 42896 63460 80108 55863 30865 15126 26493 35111 69095 46950 60328 14388 44126 47861 74271 110512 87736 103509 21137 83466 91922 50620 40419 44178 29453 40238 7894 40576 45640 38010 55454 61479 31836 39040 46792 34766 36354 28656 68173 23047 20304 28452 34397 22523 35542 58552 48432 59781 118984 73893 42652 97405 91417 59707 33608 74337 15902 88327 61493 33662 39005 58228 94016 60789 60503 80152 30039 29464 119472 129707 38296 47574 26548 35639 53793 51355 508.381 508.3839@1.0686666 16825 12687 11951 508.3839 508.3846@1.0619999 31781 12058 47732 10329 14930 22711 10440 43817 5481 13917 6094 508.3846 508.3976@1.049 5711 508.3976 508.4974@1.1305001 4843 5043 508.4974 508.8544@3.712 4971 508.8544 509.1448@1.2065 9653 8424 509.1448 509.2723@5.48 8297 8437 509.2723 509.3168@6.785 4874 509.3168 509.3426@3.888 6754 509.3426 509.3518@1.1345 2249 2151 509.3518 C29 H51 N O4 S 5049 5091 8349 7846 6070 4448 6545 6080 9329 9076 9310 9295 8277 8199 4764 5557 6947 6886 8444 8398 7103 7550 3511 7237 5549 4434 110449 9547 8452 7619 5882 5386 5938 5671 4234 4496 7678 7654 8356 8273 5654 5994 11333 11266 9686 8976 7391 6463 5434 5967 5831 5361 7465 6924 9322 9053 9305 9171 5560 5415 3906 3611 6805 137336 7698 7009 9062 10188 4801 4959 7296 7093 8393 8372 14243 13111 4889 5047 5428 7529 6694 9154 9350 14633 14520 5439 79365 509.352 C18 H39 N17 O 76721 79593 127376 128266 97310 99162 154282 158767 130427 129620 144640 146092 137577 142826 79223 79660 86848 84571 111263 89311 89488 88987 48854 48863 71559 72045 72891 67463 8556 111474 116060 119433 88804 86051 134156 132641 61575 60331 128649 124138 119485 123239 117680 117914 83889 83498 140160 138807 149449 145748 96615 97663 76751 74238 75108 76407 108367 109715 128935 128571 129876 132176 107171 107487 92373 92963 137932 7156 143761 139297 129735 132367 72965 74273 97705 100660 120997 121426 159382 159002 75703 78893 74802 91865 92498 128372 130721 181506 179743 78949 5514 509.3528 509.3696@1.1436666 3274 4143 1631 509.3696 509.3804@6.5425 10705 11105 6314 6227 17990 16281 7329 9850 509.3804 509.3814@1.147 4568 509.3814 509.3892@1.099 6647 4231 12142 12180 12580 8136 5633 13804 4196 4701 509.3892 509.3937@1.1182002 19257 4425 1527 27052 3636 1996 20281 21757 14943 13298 12409 18236 18127 2050 2954 509.3937 509.396@1.069 20316 509.396 C22 H47 N13 O 16456 10599 12269 32199 20826 25769 19454 28346 15447 12736 12707 14202 16524 27515 13378 16061 16566 1720 12087 13498 7017 11853 7953 4591 6058 13994 11991 9596 16956 27079 21106 6548 10233 11210 15671 12215 29906 20900 12330 26130 12009 8491 23083 16779 34815 12842 8717 9747 21359 16202 3078 17719 10571 8186 10898 509.405 509.4104@1.2014999 6997 1526 509.4104 509.4262@1.0255 4822 10213 509.4262 509.4289@1.1995001 5392 5239 509.4289 C13 H Cl3 N4 O2 S5 2266 2585 2352 2384 2504 2500 2573 2385 2314 2616 2401 2591 2498 2405 2355 2366 2572 2506 2277 2597 2257 2053 2480 2486 2452 2628 2670 2746 2499 2246 2615 2220 2291 2624 2577 2515 2566 2266 2409 509.7779 510.2116@6.2365 6028 5246 510.2116 510.2345@1.024 1911 510.2345 510.2558@1.197 2856 4141 510.2558 510.2679@0.9023889 3964 5378 5224 25361 25082 8361 8528 4066 4224 4724 8400 7201 4582 4289 3970 15820 16103 510.2679 C18 H42 N10 O7 19007 19448 15858 16486 23262 22494 12979 10886 20511 19843 21137 19975 11642 12901 15925 16156 43036 42522 76198 79966 19621 20339 33961 34396 33383 32002 45046 44461 15575 15104 19338 20578 27397 26668 16862 16866 26410 27452 23185 22818 29499 29677 18169 17520 27785 28466 45471 45707 23438 22138 20123 19342 29241 29523 22272 22279 23332 23649 42902 45064 17927 18130 20487 20028 14740 14330 23433 23878 18390 19064 17051 16537 18749 19869 19701 18812 17385 29947 27555 28759 19187 20231 18438 18988 19915 18968 20861 24413 24746 19668 20523 510.3257 510.3328@1.0405715 2718 1661 4013 2696 3010 3021 2477 510.3328 510.334@7.0715 6737 6488 510.334 510.3377@1.017 2056 510.3377 510.3642@1.2047144 6761 5352 5602 6697 4679 2923 510.3642 510.3811@1.1245 3936 4501 3264 6528 510.3811 510.3882@6.5444994 2634 2692 2131 2647 2591 4143 2829 2246 510.3882 510.3937@1.0971332 18900 4484 23391 28655 14209 8456 28353 9012 10101 10970 10445 10161 21754 20686 32531 15113 10130 8384 5704 13603 7183 24961 13611 23537 22083 12766 24352 22972 11334 13476 510.3937 C25 H55 Cl N4 O4 14409 12169 16822 41592 71106 10845 23293 31865 20520 30708 11928 7480 36909 28979 19608 32011 32246 12104 42907 14176 22378 89274 80795 26444 38432 37238 8184 19418 26703 4814 10614 13668 28641 29598 19180 19308 42681 13778 25294 37249 6305 7105 24525 19807 34685 27349 57161 48424 59778 52654 29719 21661 53100 81294 33554 33681 13738 24281 16195 35988 13185 4162 11612 10857 11138 510.3957 510.8049@4.76075 3965 4058 2823 2905 510.8049 C18 H3 Cl2 N O5 S4 7903 8612 7126 6869 10153 10186 5452 5239 9260 8558 8409 8877 4707 5749 7261 6942 19286 19379 36439 36465 8050 9024 15287 14742 15272 14652 21473 20665 6696 6186 8659 8602 11934 11992 6853 7101 12536 12050 10237 10546 14061 14114 8159 8347 12695 13457 20130 20282 9322 8994 9107 9365 13317 12326 10263 8956 10129 10173 21377 20143 7408 7898 8149 8668 6658 6400 10348 9904 9113 8367 6944 6570 6788 8235 8522 8104 7432 12510 12373 13351 8078 8442 7929 8477 8367 8686 8905 11706 11187 9290 7789 510.8273 511.1198@0.8276667 4929 5018 29897 29408 12751 12274 511.1198 C27 H37 N5 O3 S 47297 16494 37104 30742 62352 63898 14768 21520 72421 172674 57491 66402 178749 113475 55375 29448 90328 82706 41713 72008 88397 83904 135918 137481 21037 28220 97609 61915 93465 55338 86147 87642 31522 12743 47383 68934 82209 83188 60802 39623 87928 92043 66253 65968 56388 108289 21012 29515 74701 117315 65598 61670 88040 64553 95827 59696 58799 73840 129248 127855 70138 83826 108081 37430 86754 85006 83993 85805 198840 193601 180521 174371 17720 47253 60769 49754 103756 74058 126373 130502 89466 96682 91744 54756 53717 94254 89791 43298 45778 96724 97559 511.261 511.2632@2.317 25556 511.2632 C23 H37 N5 O8 14442 48774 35813 13147 6267 100765 9845 62759 25147 34965 37380 34062 40942 42163 35038 32544 19281 12814 31460 19379 83285 42471 16494 9983 44991 6431 28838 34608 15366 61594 89129 43825 42099 40940 7346 20608 20020 31697 31712 511.2633 511.2666@1.2055 25043 21308 511.2666 511.3066@4.755 1838 511.3066 C24 H45 N7 O3 S 8848 8236 13352 13909 9050 7794 9122 8980 13709 14526 13933 13898 10151 10748 9096 9317 10962 11061 9982 9847 10892 10403 7001 6172 12429 12590 6577 5913 9220 9212 11237 11196 10770 9688 13692 13933 8143 7700 19588 20341 9399 9915 5378 5826 8741 9054 10515 11572 17159 17233 10521 9944 7689 7931 6878 5860 10450 10090 13245 13818 12577 15091 9828 10884 3478 4370 11792 11719 7696 8833 16500 13975 6502 6741 9047 9346 13973 17323 24271 23168 7353 6657 6486 12249 10641 12550 11917 14854 13072 7543 7422 511.3314 511.3316@6.760375 1902 2668 4474 3537 1444 3334 1658 4148 511.3316 C17 H37 N17 O2 106714 106267 158727 151557 100088 94754 151915 158743 117668 117954 114226 110536 157808 158951 105555 104955 94854 94717 123223 120956 115320 109364 89589 93610 116223 119142 155494 152774 96399 96263 180165 183650 84639 89663 77033 76979 103678 103998 226999 231157 227201 232114 114976 115034 125590 95659 88712 90958 118453 86283 212420 209276 91610 99607 78323 81818 112813 111318 130008 130075 84397 86200 187531 188948 54003 54939 148657 151491 137986 130320 151026 151688 80671 79574 148003 146501 188738 186657 123588 124211 167845 3381 156145 76986 1839 166333 168281 2756 71689 111227 112531 511.3317 C23 H50 Cl N5 O3 S 4438 2756 4302 4797 3543 1905 1569 6235 2403 3756 4956 2349 2684 1282 1242 2734 3437 2460 3406 4255 1971 1912 1855 3929 2323 3056 2451 1910 3434 5654 4489 1909 1975 2815 2452 2799 2488 1559 1196 2523 2237 4223 2618 2499 2066 1031 1754 2402 2041 2213 4585 3220 2495 2450 2865 2203 3378 3028 2306 2986 2100 157844 1245 23797 100293 2246 3224 90898 1407 511.3324 511.3336@1.023 1790 2841 1132 1932 511.3336 511.3568@6.467 2793 511.3568 511.3827@1.1365833 2645 1735 1625 1920 2806 2802 2436 2393 1725 2341 3028 4457 511.3827 511.3846@1.131 2341 511.3846 511.3959@1.1957778 2350 2002 3513 2820 2306 2376 2072 2496 3035 511.3959 511.404@1.1294242 1824 2509 2516 2630 10432 6900 6908 6079 10112 2601 7090 6853 7058 7307 4915 2185 1789 2248 7277 7074 6500 2123 10313 5845 5167 5712 19157 19979 5110 12214 3370 3531 5128 511.404 511.4104@1.08375 9985 6755 9623 10070 511.4104 511.4106@1.50025 8282 6325 5547 2193 511.4106 C28 H49 N9 2339 2919 11723 8915 10647 9516 4010 3414 3913 4022 12472 4013 3512 8741 69631 69081 15530 16691 34674 36638 6708 6525 6895 6015 8579 2265 2204 2494 2301 4160 3543 10030 9746 10270 7746 6733 6146 3758 4471 39627 39989 16092 11398 6419 9022 10300 12616 2603 14162 3192 511.4119 511.4155@1.0661447 12108 14381 11506 13061 16394 18909 16647 16632 14708 24063 28102 26180 16023 18473 21314 20114 13929 19840 14984 14430 15196 16462 14672 14203 16533 25735 25499 13222 11852 19194 12076 11492 12216 14166 12974 12749 13495 11939 12988 24479 16807 10491 17429 11685 11738 12490 13915 8492 8804 11088 14926 16958 26149 20462 14822 21043 19758 14393 12408 18033 27687 15897 26108 16752 14164 15511 11713 15411 11575 25957 352723 357412 11866 14055 13201 511.4155 511.6762@1.078 2843 511.6762 C24 O12 S 3213 3389 3817 3904 3922 3901 4115 4094 4318 4124 3387 3510 3672 3663 4150 3416 3664 3850 3978 4067 3655 3637 4140 4297 4268 4752 4458 4155 4480 4697 3351 3276 4138 3821 4616 4523 4676 4375 4450 4574 3576 3980 3395 3617 4162 4248 3752 4128 4358 4685 4187 3982 4145 3897 4294 4463 3886 3994 4413 4267 3879 3974 4094 4079 5093 5173 4035 4122 3884 3182 3893 4418 4629 4126 4076 4103 4188 3969 4054 4031 4107 4547 3896 4644 4178 4549 4188 4309 5036 4707 3843 3588 511.9122 512.1539@0.975 5968 512.1539 512.2517@1.0253999 8692 10089 15661 15570 14854 15674 50203 48799 18479 18042 512.2517 512.2646@2.3379166 17535 26576 10561 10554 5694 3996 3225 38014 3377 29277 19497 3086 512.2646 512.2847@0.91359997 30039 28730 3744 3717 15437 15124 4284 4044 4589 4528 29468 30109 3907 7849 7045 512.2847 512.2914@1.206 4675 512.2914 512.336@1.014 3965 512.336 512.3418@1.2948749 3402 10665 8780 11736 11760 4799 7545 7809 512.3418 512.3447@1.20045 8209 9734 7608 10278 9370 6838 2565 4318 2962 6177 4699 6227 7745 9993 7305 8303 3482 1757 5834 3452 512.3447 512.3516@7.0144997 15642 9342 512.3516 512.356@1.1765 2472 1883 512.356 512.3581@1.1551999 5688 1704 3515 3057 2886 22592 2779 1537 2304 3002 2711 7881 5344 4564 512.3581 512.3715@1.1367778 3822 2513 2199 2088 2318 8535 4360 14193 33122 3109 2330 3066 5388 2220 2694 11602 2853 2032 2216 4998 4293 2874 6392 2373 7240 2046 13180 512.3715 512.3793@1.0859545 23311 22392 8351 3637 14579 24935 8624 3597 16388 17701 8609 23980 15553 10592 8961 12099 14527 7969 13206 23562 17485 8843 512.3793 512.3839@3.70225 2065 1915 3096 3901 512.3839 512.3846@1.0734376 14158 11700 13797 14747 2856 11753 12548 16657 9494 11497 14339 26712 26468 18386 6555 4263 512.3846 C37 H52 O 11853 11982 36549 13168 17710 29354 29161 5572 30700 17384 4681 26456 66558 7445 16724 7824 32793 33455 2532 27014 2806 11098 26239 1941 26234 33112 29458 23420 10942 5573 14324 4914 29379 17551 22367 27810 28757 3811 20347 19744 4795 7292 71133 5773 23511 21685 13585 24397 21218 20175 512.399 512.4011@1.0996363 20591 43290 23135 30263 81944 28255 9652 50139 37340 9470 1455 512.4011 512.4089@1.0456667 4105 3678 50945 512.4089 512.8049@6.0775003 2721 2733 512.8049 513.0889@3.723 15042 12864 513.0889 513.2378@1.148 12629 9771 513.2378 513.2627@2.311 8651 513.2627 513.2634@2.3178 2597 11115 4899 13621 4852 513.2634 513.2788@2.4643335 4650 13161 19241 19005 29735 52589 10235 8760 9032 9085 7763 12048 12736 11540 10230 8094 5582 9612 10439 10376 1924 15399 15775 4217 7245 12471 12429 513.2788 513.2806@2.4745 5895 24278 8412 2811 513.2806 513.2992@3.06 6019 513.2992 513.3009@1.204 1821 513.3009 513.3207@1.8139999 5362 5982 513.3207 513.3333@6.5445004 7412 8393 513.3333 513.3467@3.254 11260 12381 513.3467 513.3532@1.2046666 4308 4670 4402 513.3532 513.3692@1.1332353 3584 4589 2513 3565 4231 2860 2293 2750 4583 2874 1975 4555 2693 4083 5307 18161 20592 513.3692 513.3767@3.99625 6367 6439 5908 7878 5147 5657 9928 12474 513.3767 513.3798@1.1095 1677 4060 2928 2400 6241 5888 7238 7145 4391 3709 5180 5526 2803 2735 3282 5280 4837 8129 6000 4285 513.3798 513.3867@1.0864285 4399 3863 4638 3638 6007 4564 4109 513.3867 513.3996@1.066091 5690 2714 11948 6215 4275 10816 5557 7710 5658 4741 7278 513.3996 513.407@1.056 6326 3554 513.407 513.4097@1.0531818 2539 4144 7284 10331 13427 6392 10270 2176 5931 3385 2009 1432 1478 1854 7216 6125 3872 7155 5605 6606 3582 6623 513.4097 513.4222@1.0446 4771 4140 5494 9876 4611 513.4222 513.4325@1.045125 4176 5898 6645 4286 4746 2374 6932 8004 513.4325 513.8645@5.516 1277 513.8645 513.8692@0.994 2025 513.8692 513.873@3.9935 6303 5843 513.873 513.9561@0.986 2964 513.9561 514.1441@0.8595 4994 4739 514.1441 514.2055@3.4276001 3464 4708 2582 4881 3805 514.2055 514.2202@4.2155 5636 5452 514.2202 514.2309@1.054 185616 514.2309 514.2314@1.0610714 22907 22455 4065 2912 2089 2561 41948 40713 30925 33175 5160 190548 26454 27266 514.2314 DIHYDROFISSINOLIDE 8447 8251 11681 12875 40652 39494 69177 73264 29126 29457 3226 3711 43282 39346 5578 5304 2150 77692 77223 6691 6154 107846 117515 9272 6167 6589 15472 17783 3934 4258 2627 2636 3952 4039 15100 15427 13540 13844 2880 3101 2853 2699 4381 5024 2548 2693 18565 18188 16681 17458 21929 21506 9301 10550 6342 6726 5728 5740 9102 10893 10147 1050 21607 21082 514.2601 514.3655@6.8975 6323 6466 514.3655 514.3799@1.1631666 4270 10675 4241 1755 23402 4116 514.3799 514.3845@1.144 4669 6331 6460 4355 7580 4275 12756 6918 4920 8504 5485 13963 17030 27997 4968 5806 8277 13367 514.3845 514.3957@1.1133947 8077 30407 23107 44485 7240 14994 16109 10098 25870 49540 50354 25436 17783 10141 19162 8276 17379 6162 17150 36989 17680 16598 3920 13956 3958 20738 13150 34977 31481 3844 4174 23531 10311 13913 20275 27027 34277 11288 514.3957 514.4073@1.053909 71223 41548 142418 151275 138520 44513 45149 33336 242501 181568 108487 311023 24970 188795 227610 102542 268833 315377 135733 60510 260323 28199 421459 41369 751024 113751 462494 37965 42520 135816 178516 1444428 514.4073 514.4112@1.015 846608 514.4112 C28 H58 N4 S2 4130801 4258242 5837977 5991454 6048228 6035256 5692713 5703754 5571052 5798739 1.01E+07 9032350 8914716 9523031 1.30E+07 1.31E+07 1.20E+07 1.20E+07 1.05E+07 1.03E+07 1.39E+07 1.41E+07 1.42E+07 1.43E+07 1.44E+07 1.47E+07 1.67E+07 1.70E+07 1.72E+07 1.73E+07 7654774 7175284 5210940 5452484 6321406 6325664 6408785 6156548 6902427 6578740 9101781 9124156 1.06E+07 1.08E+07 9250463 8713246 1.18E+07 1.16E+07 1.30E+07 1.30E+07 1.82E+07 1.84E+07 1.11E+07 1.14E+07 1.26E+07 1.25E+07 1.19E+07 1.26E+07 1.52E+07 1.51E+07 7203744 7914865 7942423 7913314 7471113 7854362 1.75E+07 1.77E+07 7014396 7088782 1.09E+07 1.10E+07 1.46E+07 1.42E+07 1.45E+07 1.45E+07 1.27E+07 1.16E+07 1.27E+07 1.13E+07 1.16E+07 1.43E+07 1.64E+07 1.53E+07 1.64E+07 1.68E+07 2.12E+07 2.17E+07 1.66E+07 1.60E+07 1.43E+07 1.41E+07 514.4122 514.595@0.9885 85968 61397 514.595 514.7533@1.0365 1336 1276 514.7533 514.7707@1.0393333 1600 1020 514.7707 514.7806@1.0265 1435 1431 2241 1978 514.7806 514.7956@1.027 1001 514.7956 514.8111@1.0159999 4750 2686 5655 1186 2999 3122 514.8111 514.8182@1.0167143 8786 4811 2700 5074 6114 1897 1798 1637 1749 8954 2858 3274 2975 1789 514.8182 514.8207@1.018 1882 1286 514.8207 514.8767@0.98520005 8934 10753 6433 9856 12661 12165 13900 15164 14154 11602 514.8767 514.8841@0.9883333 23696 11436 18208 514.8841 514.9092@1.042 2437 514.9092 514.9256@1.03 1423 514.9256 514.9418@1.0073334 5789 2712 4367 9675 10820 1581 514.9418 514.9465@1.0005 4471 6138 6381 1947 514.9465 514.9516@0.987 11970 12740 514.9516 514.9657@1.013 1976 514.9657 514.9792@0.99450004 6986 5850 4460 5355 514.9792 514.9819@1.02 1719 514.9819 514.9964@0.99799997 4756 9027 1530 6329 14131 514.9964 515.0051@1.0043334 1250 20617 2653 515.0051 515.0162@1.0054 3260 4857 11100 2429 1063 515.0162 515.0336@0.99549997 1535 6525 515.0336 515.0354@1.0017272 2934 2934 8241 2776 1979 8210 9060 2779 5113 7185 16546 515.0354 515.0519@1.007 3813 515.0519 515.0594@1.007 5498 1708 515.0594 515.0709@0.996 4237 3474 4467 7278 11799 515.0709 515.0888@0.9992 16379 11758 2162 3090 2324 8460 13764 7054 6277 21169 515.0888 515.098@0.9885555 7001 1393 26329 10491 5738 6813 6340 6934 13992 515.098 515.1018@1.0036668 3583 11466 2739 515.1018 515.1193@0.9913333 1084 7128 12335 515.1193 515.1299@1.016 1781 515.1299 515.1404@0.9944 6100 7746 5725 3710 15658 515.1404 515.148@0.9906666 2319 6542 30952 515.148 515.1607@0.99233335 4316 5116 3737 14002 1620 2910 515.1607 515.1708@0.9885 8057 6033 27978 10188 515.1708 515.1855@0.9901428 2277 5766 7143 14842 19573 11440 8186 515.1855 515.1932@0.986 14005 16296 515.1932 515.2004@0.99279994 5314 21498 4996 3016 11804 515.2004 515.208@1.196 5409 4428 515.208 515.2081@0.98249996 15292 26028 515.2081 515.2217@0.98450005 3762 15991 515.2217 515.2241@4.0145 9452 10028 515.2241 515.2389@0.987 3671 515.2389 515.26@5.266 8836 9036 515.26 515.2973@4.2741995 4610 17609 19047 7455 7350 515.2973 515.3034@6.511 51571 34341 47784 88393 3658 62824 72811 54801 75529 6694 5934 46926 45172 29993 5924 59009 28845 515.3034 515.3127@6.439 4235 4380 515.3127 515.3132@4.475 3619 15285 515.3132 515.3139@4.208 55697 52236 515.3139 515.314@4.455 11247 515.314 515.3444@1.229 3198 515.3444 515.3486@3.6106665 13735 18628 8707 515.3486 515.3509@3.571 2839 515.3509 515.353@0.903 19541 19466 515.353 515.3584@6.1425 6507 6127 515.3584 515.3808@1.2031666 3744 2908 4427 3824 2796 4024 515.3808 515.3853@1.196085 4339 2876 5372 4968 4992 2466 3444 4993 3361 1842 3256 4961 5181 5177 45666 41935 3086 3055 5432 7172 12870 11001 10574 11595 1535 3863 3727 3466 3465 4219 8882 12424 2777 5541 5941 11934 10051 2296 24722 24537 2211 3959 3238 9461 17884 2104 2722 2767 2785 3229 2751 3287 2514 4114 2696 2485 3867 3241 2923 515.3853 515.3891@1.13 6933 7705 3818 4968 6677 3527 2312 3521 5281 6690 5922 515.3891 515.4017@1.1033 9063 13501 7066 10413 10787 5634 5721 5160 8168 8879 515.4017 515.4082@1.0711539 36200 10567 17173 21849 12227 32692 16014 16720 15085 20223 17936 11779 16392 515.4082 515.6008@1.0170001 8641 3347 1389 515.6008 515.6681@1.025 1177 515.6681 515.6878@0.98924994 6527 6308 7784 8516 8040 6179 6314 6610 11124 17228 8437 7398 7394 9769 13280 15270 2181 22694 25372 8291 13443 10017 11015 2531 515.6878 515.6915@0.99333334 3888 11472 6172 8879 10795 1363 515.6915 515.7211@1.013 2184 515.7211 515.7349@1.016 2152 1518 515.7349 515.7503@1.0266666 1562 1295 1751 515.7503 515.7613@1.0038334 7704 3200 1475 1133 3390 1281 515.7613 515.7781@0.986 3860 515.7781 515.7861@1.019 1491 515.7861 515.795@1.018 2889 515.795 515.8142@0.99950004 6340 3232 515.8142 515.8214@0.99723536 3823 2367 1615 12361 4938 1894 4789 5211 3727 7172 1729 21118 4384 17310 3196 1229 515.8214 515.8365@1.00725 3107 11509 3272 2960 515.8365 515.852@1.022 1670 515.852 515.877@0.99625003 12505 6224 7283 2575 515.877 515.8849@0.9889 4104 5116 13760 8640 13795 3084 6775 3346 2416 13336 515.8849 515.8875@0.99062496 2047 5181 15244 5690 34569 1420 34930 15422 515.8875 515.9024@0.99 10977 515.9024 515.9143@0.99920005 6436 2726 6005 5185 1886 515.9143 515.933@0.98825 4788 7469 2482 4027 515.933 515.9399@0.9878889 2170 2948 3210 9941 6768 4918 7042 9469 5316 515.9399 515.9566@0.9873333 15834 3621 20826 515.9566 515.9652@0.989 5932 515.9652 515.9724@1.017 515.9724 515.9889@0.99375 8530 9171 6785 5755 7897 5920 4598 2216 515.9889 515.992@0.9966666 5851 3325 4974 515.992 516.0036@0.9968333 2026 5050 2232 1713 2169 6883 516.0036 C18 H16 N2 O12 S2 1768 13319 13459 4565 4239 26714 25736 56071 57781 14947 14404 31874 33540 41135 41375 5874 5779 7677 8615 6070 6746 18222 17693 18045 19422 18734 19460 2560 3064 40295 41890 3560 3155 23815 25291 10033 9698 3459 3588 2532 516.0141 516.0147@5.132 3687 3680 3133 2813 516.0147 516.02@0.98749995 6271 2328 516.02 516.035@0.99700004 6684 1270 3071 1076 6766 5123 2242 9507 12004 516.035 516.0372@0.9915 5740 1774 13120 5568 516.0372 516.0551@0.99300003 1625 1478 3013 2873 3114 2706 516.0551 516.0596@0.984 2415 516.0596 516.0718@0.992 10397 516.0718 516.0832@0.9925 5683 10212 516.0832 516.0995@0.99383336 2917 1710 2168 4087 10045 7605 516.0995 516.1057@0.987 5931 1988 7081 516.1057 516.1147@0.9966666 4657 6178 9541 2744 4770 1623 516.1147 516.129@0.994 7229 7719 7097 516.129 516.1387@0.9966666 2323 1951 2870 6474 3062 3160 516.1387 516.1496@0.986 5904 8798 11115 516.1496 516.1614@1.0077 3235 8006 3021 3715 9241 3634 3070 2752 14794 13533 516.1614 516.1634@1.497 7827 6832 7216 516.1634 516.1728@1.0241667 13165 3390 14765 13529 2735 516.1728 516.1774@1.256 10687 10588 516.1774 516.1806@0.9871112 2247 3450 7431 4834 6224 7136 4733 10525 6859 516.1806 516.2008@0.98499995 6772 3002 4064 516.2008 516.2083@0.987 16385 8811 6586 12246 2799 5854 516.2083 516.2179@0.98480004 3576 3025 7739 4940 18743 516.2179 516.2206@6.237 12274 516.2206 516.2221@1.2045 11731 11259 516.2221 516.2309@0.9845 5304 7029 516.2309 516.2816@6.3132005 118462 120006 39990 40919 9234 516.2816 516.2907@0.806 8718 7327 516.2907 C20 H48 N6 O9 9222 9974 3555 3195 20831 18476 44879 43191 10212 10170 26808 24664 30076 30781 4806 4589 5886 6061 4784 4886 13799 12382 14519 14575 13984 14368 2554 31279 31621 3027 18283 18841 2781 7490 7339 3262 2693 516.3479 516.3479@1.2073333 11148 7434 7580 516.3479 516.348@5.132 3144 3100 2383 516.348 516.3568@1.2016333 3258 2994 12348 6256 5255 14326 15893 10906 8031 13590 10388 4545 3685 10384 4307 17847 12573 3216 6989 12176 12550 1639 3477 4208 4358 42700 9413 10564 8167 516.3568 516.372@1.1615 4088 5243 2788 3558 3640 7420 6544 7176 4234 2516 12970 5048 1912 3412 2078 10150 3048 10470 3007 7596 100223 5150 6630 3675 4587 2969 2833 2292 516.372 516.3748@1.1815001 3243 2233 5676 4714 102284 9081 516.3748 C27 H53 Cl N4 O3 11643 7134 11579 6698 13341 13761 10429 16461 19996 5804 17214 17725 16312 13057 16348 11157 10777 23651 7312 8392 5068 5333 19613 11452 19280 13557 9458 4682 5778 7446 7478 9678 6435 6795 13535 8183 8841 8878 4408 9693 6987 4535 516.3805 C26 H53 Cl N6 O2 53796 30305 34362 256338 65497 158799 34642 184769 46488 31387 17882 201457 197617 444889 254580 243426 381297 104486 247182 48258 22721 183532 52728 24295 37489 150039 140125 37159 171183 45491 22131 245860 131575 131557 28251 12411 143977 40341 41581 157231 138786 197442 171876 58521 201386 182064 207143 206309 51781 49877 267581 19897 270481 154411 39591 43730 207406 235171 29532 135524 29646 32341 28504 516.388 516.3917@1.066 136247 516.3917 516.412@0.9886667 321947 248819 204069 187308 310686 257532 516.412 516.6045@0.98925 1365 2168 2658 3015 516.6045 516.6743@0.9912307 4956 4888 4756 1879 7255 4399 8302 4867 11706 12374 5513 10390 8623 516.6743 516.6822@5.213111 5640 5041 8970 9170 20485 19481 5035 4527 10993 11783 13371 12566 2770 2943 2084 6431 5801 6451 7184 6370 6077 17465 16939 9833 9910 3924 3603 516.6822 516.6831@0.98828006 5462 8176 2452 14240 9707 9519 3039 3496 8253 14037 13474 4405 7402 7964 16771 12514 6206 6850 7379 9099 7231 9486 12342 9352 516.6831 516.6983@0.98859996 4373 14669 13110 25623 9638 516.6983 516.7207@1.00375 3094 1433 1319 3263 516.7207 516.7402@1.01 1715 516.7402 516.7482@0.98649997 2783 5660 5013 3813 516.7482 516.758@0.992 2306 4211 516.758 516.7707@1.0006 2926 3384 2054 6993 1384 516.7707 516.7814@0.98642856 2086 1781 6025 5080 6763 4207 516.7814 516.7888@1.0074999 1307 1438 516.7888 516.8015@0.98725003 2901 2752 4343 6105 516.8015 516.812@0.998 1341 3805 2966 7052 1566 10085 2111 516.812 516.8268@0.98825 2592 8701 6760 1442 2577 5689 2768 5572 516.8268 516.8408@0.9995 4818 516.8408 516.8531@0.99675 1530 8152 2451 8804 516.8531 516.8668@0.9895 3260 2345 516.8668 516.8859@0.99313337 1308 4316 5206 4759 15754 2156 2064 4867 14731 10250 4212 4762 7440 6596 2494 516.8859 516.9053@0.98660004 3411 2068 2022 6154 2414 516.9053 516.909@0.9866667 5835 1808 3802 516.909 516.9281@0.9842 2585 3874 3321 2377 5254 516.9281 516.9369@0.9912 8052 2468 5938 2287 2732 516.9369 516.9412@0.99300003 2144 4482 4418 516.9412 516.9497@0.98499995 3878 4893 11075 2755 6953 3943 516.9497 516.9691@0.9915 4048 7436 516.9691 516.9883@0.98749995 3926 8177 6219 4209 5837 4221 516.9883 517.0081@0.98999995 3078 5653 4736 3222 4702 517.0081 517.0163@0.99325 4286 6665 9715 2613 517.0163 517.0246@1.007 1749 517.0246 517.0365@0.99099994 3768 2379 3853 3511 2022 517.0365 517.0463@0.9985 1632 4964 517.0463 517.0604@0.99950004 4682 3067 517.0604 517.0832@0.9844286 2098 1706 5423 4303 2339 2170 13414 517.0832 517.0987@0.893 4275 2021 1358 3885 517.0987 517.1106@0.98466665 4366 4155 1782 3812 3057 7309 517.1106 517.1225@0.982 3730 517.1225 517.1299@0.987 5388 517.1299 517.1315@3.709 2116 517.1315 517.1339@0.987 2972 6127 4041 4646 4394 517.1339 517.1511@0.9866667 3366 9509 1771 2166 6327 4773 517.1511 517.1569@0.991 2999 517.1569 517.1641@0.9875 5303 9647 3550 3395 4517 6714 517.1641 517.1864@0.988 3817 517.1864 517.2006@1.035375 3191 3324 2665 2399 2756 1445 4160 6608 517.2006 517.211@1.2406667 3964 3372 4663 517.211 517.2128@0.984 4671 517.2128 517.2192@0.98625 4181 3925 2432 8644 517.2192 517.24@0.99325 6416 2721 3052 1752 517.24 517.2531@0.987 3507 517.2531 517.2615@0.984 2110 517.2615 517.3149@6.395 159793 517.3149 517.3156@7.18675 2451 3736 3365 2034 517.3156 517.3203@6.5134616 1105885 1237581 1236508 1000450 1007638 998280 998801 86931 1257390 1039885 1040039 1092432 1088084 1365 1200718 1224679 1220296 991091 988689 1176093 1177650 873657 1088878 1085028 1087875 1091205 517.3203 517.3522@1.1836666 2560 3583 10933 18693 3252 5120 517.3522 517.3648@1.1413751 1629 1615 2122 2881 2749 4200 3156 1984 517.3648 517.3784@1.1235713 3735 3355 2293 3520 4181 2317 4298 517.3784 517.3915@1.07875 18143 12963 4721 8147 16393 10400 20609 15089 25048 4541 11030 13435 517.3915 517.3963@1.053 24137 517.3963 517.414@0.9906666 9471 123164 70167 69811 97752 89540 113847 111748 517.414 517.5102@6.515 17544 517.5102 517.5889@6.4980006 4364 5440 9648 517.5889 517.6025@0.98366666 2513 2277 3071 517.6025 517.6081@0.9935 4789 3081 3012 1227 517.6081 517.6251@0.977 3036 517.6251 517.6521@6.477 1094 517.6521 517.6544@0.982 2498 517.6544 517.667@5.2115 4114 4251 2498 3002 3480 3867 517.667 517.6678@0.986 3729 517.6678 517.6693@6.516 1191 517.6693 517.6797@6.4884996 1237 1586 517.6797 517.692@0.985 3179 517.692 517.6989@6.5106664 1294 2219 5455 517.6989 517.7051@0.98399997 2149 1830 3033 517.7051 517.7115@6.492 1488 517.7115 517.7127@0.99249995 3042 2373 517.7127 517.718@6.5007143 2186 4408 6812 6687 3932 3943 2354 517.718 517.7222@0.987 3322 517.7222 517.7299@6.507 5223 5215 517.7299 517.7342@0.9895 2257 2545 3379 4237 517.7342 517.7477@0.979 1374 517.7477 517.7481@6.485 1115 517.7481 517.7603@0.98325 1718 2677 11695 6415 517.7603 517.7699@0.991 6407 517.7699 517.7774@0.98375 2265 2520 1156 3331 517.7774 517.7933@0.9844 1695 4608 4128 2284 2153 517.7933 517.8036@0.99250007 1420 3488 517.8036 517.813@0.985 2745 517.813 517.8156@6.5085497 7013 8854 6497 3931 3551 9987 8854 9648 9182 8485 6483 11627 7990 7659 5433 8466 7926 8066 5651 5261 517.8156 517.8181@6.5032935 6786 10476 7977 8176 7645 7841 20454 8275 9008 7876 8812 7942 7002 14488 8995 8290 7864 7427 8012 9519 32448 6131 10536 9968 11938 6773 8033 8283 9186 8572 5706 10231 8976 1669 517.8181 517.8236@0.9873333 7465 2623 517.8236 517.8325@0.991 3738 517.8325 517.8583@0.9856667 6345 2859 3543 517.8583 517.8778@0.9856667 3001 2783 2125 517.8778 517.896@6.492 2883 2320 517.896 517.897@0.98600006 6663 2739 1583 517.897 517.9088@0.987 3269 517.9088 517.9115@6.4965 1336 1529 517.9115 517.9206@6.51 1263 3466 517.9206 517.9328@0.9985 2221 3342 517.9328 517.9459@6.51075 1910 2644 2255 1203 517.9459 517.9473@6.5135 3811 3060 517.9473 517.9549@0.99599993 1376 1880 517.9549 517.9558@6.4995003 1358 3899 1525 2010 517.9558 517.9692@6.486 1569 517.9692 517.972@6.5165 2514 1362 517.972 517.9809@0.99 1249 3997 517.9809 517.9849@6.5 2841 3695 1378 2029 517.9849 517.9887@0.984 2003 517.9887 517.9996@6.51 1772 2778 4912 4054 517.9996 518.004@0.988 3096 2202 2604 518.004 518.0088@6.5059996 15183 9448 1828 4552 3241 1059 3743 3059 518.0088 518.0217@6.497667 1852 1477 2358 518.0217 518.0245@0.986 2984 518.0245 518.031@5.601 1545 1612 1618 518.031 518.0347@6.5085 2893 2403 518.0347 518.0442@0.99 3035 518.0442 518.0498@6.505 2268 518.0498 518.0548@0.984 2352 518.0548 518.0574@6.500666 3458 1936 1127 1507 2696 1655 518.0574 518.0824@6.5030003 1967 2861 518.0824 518.0843@6.512 2106 518.0843 518.0924@6.5015 2128 2302 1388 2129 518.0924 C26 H14 N8 O5 3336 3778 3947 3822 3728 4700 3895 3876 3737 2908 3181 2539 2566 3636 4912 5054 6473 6435 8317 8089 3063 2810 7536 6988 3458 3304 6570 6920 7274 7753 3902 4014 5038 4644 3027 3392 2530 2640 3303 3026 3351 5972 5783 5459 5622 4392 4182 518.1112 518.1136@0.9905 2197 2301 518.1136 518.1148@6.5030003 1473 1865 518.1148 518.1205@6.51 1525 2739 518.1205 518.1232@1.0066667 3152 2111 4347 518.1232 518.1345@1.0390999 9171 8698 3893 4812 5337 3629 3919 23301 5127 4130 38504 13643 19333 19852 12428 12704 4243 3177 23056 2389 518.1345 518.1367@0.992 10972 518.1367 518.1471@6.51 2100 2093 518.1471 518.1512@1.624 5867 5659 518.1512 518.163@6.512 1860 518.163 518.1787@3.801 3443 518.1787 518.1802@1.9202499 15602 13740 14980 518.1802 518.1806@1.915 518.1806 518.1818@1.1850001 4160 4318 518.1818 518.1928@1.1435001 9987 10344 518.1928 518.2536@3.0755 9169 10301 518.2536 518.2536@3.603 6071 518.2536 518.3303@1.2049999 10137 8794 518.3303 518.3497@1.17875 5227 3641 5555 8697 518.3497 518.3552@1.1726667 3172 5029 5774 2915 7053 4284 2520 9192 5115 518.3552 518.3715@1.1619445 3152 5073 4865 4992 1855 4177 7730 5024 6928 5666 6555 5798 2770 3510 4503 3155 5057 6198 518.3715 518.3722@1.166 2905 518.3722 518.3794@1.1658 2605 2850 4507 5196 3782 518.3794 518.3955@1.12525 8524 4032 14222 8884 7621 17018 8568 6935 15882 14956 20819 17707 518.3955 1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / 1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy 98407 96046 80311 79175 191229 26354 127062 113105 157274 195625 201535 59448 58229 146949 63605 82603 74106 252423 183098 136329 144359 144635 77212 87549 104520 68388 70064 95284 128357 72239 72734 147480 24292 30133 104632 100569 65727 65404 20886 26855 115913 113688 45182 107204 25119 126075 94296 180940 193554 11491 126644 131931 108414 171054 61711 120414 121532 82757 103464 112021 115531 125367 138175 76249 65613 77598 77452 LMST03020527 518.4004 518.401@1.0945455 78175 41556 34487 15058 12585 16661 20986 29808 34271 24601 28666 518.401 518.5523@0.986 2514 518.5523 518.5657@0.989 3579 518.5657 518.58@6.5245 2745 2000 518.58 518.5956@6.5056 2473 3643 2324 4022 2540 1120 3701 2870 2422 2764 1630 1785 3061 2565 2175 2532 3365 3197 1808 3950 2989 3694 2512 3418 3586 518.5956 518.5993@6.508 2976 2107 3966 2614 2445 2269 2273 518.5993 518.6018@0.984 1729 518.6018 518.6086@6.5020003 2607 3539 2285 518.6086 518.6099@0.988 6437 518.6099 518.6431@6.511857 2609 2790 1674 1607 1272 3147 2293 518.6431 518.6619@6.5 2544 2493 518.6619 518.6725@6.50975 2216 1773 3041 1892 518.6725 518.6862@6.5003333 1869 2824 1587 518.6862 518.6949@6.4969997 2476 1796 518.6949 518.7104@6.5085 3001 1913 518.7104 518.7207@6.50175 1188 2484 2381 1376 518.7207 518.7509@6.5105 1811 1553 518.7509 518.7684@6.518 1097 518.7684 518.781@0.993 1757 518.781 518.7824@6.518 1382 518.7824 518.7959@6.5119004 1362 2284 3342 1462 3521 2496 2523 1846 1757 3437 518.7959 518.802@6.5115714 1494 2291 1176 2837 3303 1220 2281 518.802 518.8129@6.5097146 2672 3209 2384 2630 2290 2034 1840 518.8129 518.8426@6.507 2206 1961 518.8426 518.852@6.5083337 2280 1819 1699 518.852 518.8624@6.515 1574 518.8624 518.876@6.51 2717 518.876 518.8883@6.53 1713 518.8883 518.8905@0.986 2646 518.8905 518.9019@6.5085 2042 2184 518.9019 518.9462@6.517 2054 518.9462 518.965@6.5074997 1924 1765 518.965 518.9786@6.506 1916 518.9786 519.1706@1.152 2848 519.1706 519.1892@4.0165 4645 4930 519.1892 519.3211@4.134 7084 519.3211 C17 H41 N15 O2 S 36073 3889 32550 33008 52178 51476 10388 10555 44555 43975 37798 36945 8111 7446 36098 36345 90167 86507 239126 241374 24744 25568 98869 98753 42838 41617 83297 81307 5962 6491 65785 63829 3046715 3044837 67074 65746 733389 725592 61558 59773 67325 70038 21445 22616 70130 74085 116825 115079 39497 39145 24230 25547 38286 37127 34486 33778 46577 46320 121676 119561 41337 42510 72736 70821 24210 25984 61071 60660 47957 47568 36779 35431 40554 42415 26705 26454 21589 16557 21173 269588 272978 34492 36208 37578 25665 27318 46876 45522 73303 72716 21003 21659 519.3301 519.3308@4.1954446 33581 6029 7223 7319 4321 7189 3914 4608 2208 519.3308 519.3361@6.5993333 3569 16432 10271 519.3361 C19 H45 N13 S2 9115 36599 38397 82375 141377 133892 38967 67917 88043 6851 346896 59437 113082 118021 14522 48666 48689 171177 56201 87603 113642 98772 81478 12527 50639 26827 76634 51390 93577 51280 27469 170828 178018 73706 106396 92089 77510 89210 90986 25102 128682 66914 195483 182104 126917 44727 78020 519.3365 C18 H42 Cl N15 O 336919 215283 281814 220064 182597 147100 330430 333115 279689 341010 341606 286463 252473 261465 105914 128416 282446 277414 176055 268069 409299 406171 252385 205038 170674 169488 187622 175749 427008 518149 217954 226825 237324 190840 279581 345035 144166 136466 217196 188679 443309 557846 168535 140614 171905 165179 403948 333799 307651 251998 339017 282572 186287 188379 165562 160372 243742 250552 179929 215845 207802 252244 296032 310102 208164 246957 208532 203284 228272 218695 389043 325145 218373 210666 422951 427093 596296 581148 370084 440638 291890 234043 233864 334313 194346 312623 389941 366370 447191 232408 225121 519.3374 C23 H49 N7 O2 S2 2945111 3712823 3922957 3918815 2235012 2783824 5125921 5229448 4249579 4235012 4503675 3556726 3600771 3882814 1820196 1854284 3963281 3707855 3042489 2553370 5702738 5759182 3515301 3508700 2250855 2216679 3057214 2917553 5077839 4588062 3902348 3734719 3445678 2855265 5220188 5020330 2874369 2857140 3049734 3168765 6275599 6428715 1754825 2167221 2264623 2273707 3981441 3817586 3771664 3764171 3183199 3153444 3170877 3127950 2797321 2702433 3273862 2630490 3020815 2564741 2713771 2624666 3588358 3416189 4048951 4274873 3710847 3673886 3166542 3372652 4496398 4770922 3053738 2940112 4921335 4754150 5373554 5643928 3934209 4063065 3568795 3929881 3012708 2728827 3222377 4040986 4505832 3999724 4192177 4018442 3864973 519.3388 519.3404@1.2 2723 519.3404 519.3585@1.0956668 4062 35719 37622 519.3585 519.3632@1.1489999 3646 1948 519.3632 519.373@1.1472499 1807 1606 2068 5867 2208 1410 2061 1449 519.373 519.4032@1.0947499 24459 9669 8229 5917 519.4032 519.4071@1.0222857 10691 6905 1611 28790 1909 2713 2634 519.4071 519.4181@0.98892 2437 1639 2320 3385 2734 3301 4433 2618 8679 2556 3454 2790 2589 4936 2129 2645 2628 3532 3048 1945 2809 2853 2030 1901 3538 519.4181 519.5218@6.46475 27394 52391 1629 176805 519.5218 519.605@6.38875 3577 3845 3958 1999 519.605 519.6054@4.4084997 3947 6441 519.6054 519.6108@6.378 5029 519.6108 519.6425@0.988 4192 519.6425 519.676@0.986 3052 519.676 519.6918@4.401 3031 519.6918 519.6997@6.393 2701 519.6997 519.7096@6.52 1070 519.7096 519.7221@6.5235 1014 1228 519.7221 519.7441@6.49775 1179 7410 1240 13250 2063 1713 2774 3013 519.7441 519.7504@6.4821997 2164 1984 1652 1985 9594 519.7504 519.7811@0.993 4571 519.7811 519.8057@6.4758334 9754 13973 8796 1064 19408 2628 519.8057 519.8102@6.4805007 18599 32590 28371 38818 17086 15775 24519 7512 38437 45001 2829 33589 15487 30950 31607 28059 18472 31824 519.8102 519.8235@6.486 48952 519.8235 519.8681@6.51825 1385 1108 1695 1659 519.8681 519.88@6.5020003 4122 14095 9503 2250 10277 1894 519.88 519.8874@6.5175 2556 1175 519.8874 519.8939@6.513 6411 519.8939 519.908@6.504 2226 3677 6756 12426 519.908 519.9175@0.985 4934 519.9175 519.9246@6.481857 5746 12897 8047 1540 2932 2126 1088 519.9246 519.9342@0.99 3575 519.9342 519.941@6.4813333 1550 5443 13096 519.941 519.9526@6.500125 4618 3281 12153 2740 2324 8369 10833 2714 519.9526 519.9635@4.404 10635 519.9635 519.9674@6.483 7408 519.9674 519.9785@6.5035 2492 4945 8205 1075 519.9785 519.983@6.5054283 1991 1720 9741 1947 7256 4801 2263 519.983 519.9976@6.468 2198 519.9976 520.0016@5.502 1529 1531 1512 1593 520.0016 520.0059@6.522 1074 520.0059 520.0152@6.4960003 5605 1561 14671 11054 9288 13313 3929 1381 520.0152 520.0207@6.493 12514 3492 520.0207 520.0235@6.493909 11919 13643 22732 3519 6183 3042 27361 2138 2760 9344 9621 520.0235 520.0387@6.4593334 15889 5308 3079 520.0387 520.0547@6.503 5398 520.0547 520.0723@6.4986 1190 1777 1189 10022 14121 520.0723 520.0728@6.483 12132 13503 520.0728 520.0767@4.41 8907 520.0767 520.0827@6.4908886 16391 6048 8012 5618 6225 11286 11274 20836 4801 25185 1574 8679 6272 13191 6864 3049 5848 13341 520.0827 520.0974@6.493615 14400 2766 13266 5968 11629 6181 5444 4543 4901 4969 14798 9533 7903 520.0974 520.1127@6.4902 8937 11487 8516 10566 7474 520.1127 520.1271@6.4954543 1200 5425 7866 23099 11472 8860 3862 3545 14649 12693 14798 520.1271 520.1372@6.48925 7788 12824 8218 17507 520.1372 520.1493@6.4892855 7901 6189 6009 1801 2964 6250 6163 520.1493 520.1579@6.482 1964 16828 520.1579 520.173@6.4919996 5709 6354 5399 4754 520.173 520.1881@6.4870005 18697 5088 520.1881 520.1918@2.8183334 36053 38691 37303 520.1918 520.1925@2.714 32048 41289 28268 520.1925 520.1933@1.0773333 3863 4280 520.1933 520.1954@4.3386664 7295 6579 5749 520.1954 520.1956@3.838 36609 31238 31413 520.1956 520.2694@4.203 61349 59133 520.2694 520.2721@4.46 12396 12197 520.2721 520.2753@0.9375 3646 4043 520.2753 520.2841@1.951 6142 520.2841 520.2874@1.9321667 17178 17646 11190 11967 6772 13114 12039 5052 1687 3439 3234 7463 520.2874 520.3202@7.0769997 6013 3878 520.3202 520.3388@6.5719995 7070 3516 520.3388 520.3471@1.2073333 8584 7338 7784 520.3471 520.3684@1.141 2746 11566 4701 4492 520.3684 520.3811@1.1748666 12360 3155 2528 7549 4267 5127 4325 3977 3998 7169 7752 2478 5909 6034 6660 520.3811 520.3877@1.15625 5250 14797 2925 3140 520.3877 520.4002@1.1596667 4149 8061 6703 5869 4843 4700 5163 9896 12271 520.4002 520.407@1.0856667 3470 17581 6022 11314 7425 3605 520.407 C22 H52 N10 O4 263116 13180 12593 6710 6312 4702 289433 4106 2896 5061 6812 388706 4853 4923 557441 518986 403536 3920 7147 7132 5740 184925 22970 4216 6634 4734 4258 4910 8224 7073 7530 7267 6634 309957 344157 3033 404011 216491 3729 12080 6702 336009 4399 5727 4180 5295 5092 5253 6441 6748 344276 449258 370651 2965 5607 5467 4043 4511 6107 399148 9350 10735 515628 510534 536608 581684 6937 6250 308640 3758 523354 2780 3412 405903 5666 2807 5234 4310 4653 3921 520.4167 C32 H57 Cl N2 O 256793 203788 230921 646684 498972 285451 480831 437665 442730 445296 314939 17044 132021 131697 519631 475023 204634 185597 660870 415425 405624 408995 318001 392134 30552 58898 127011 164204 296252 291170 200973 217857 4836 5126 403637 216151 391041 338101 329273 471476 275724 43534 275957 265813 272259 45002 389398 17785 352270 267732 283420 381466 386008 385368 6345 397822 423035 3583 4321 320565 328195 279184 258536 486694 396433 311255 312267 305452 479895 457453 266386 221723 229432 229262 231300 231768 520.4168 520.4168@1.1104667 16193 19494 16167 27136 19062 16032 437149 397816 203946 231580 332516 12867 24173 33196 520.4168 520.5382@6.536 1040 520.5382 520.5992@6.4900002 4588 1576 1502 520.5992 520.6087@6.488455 8779 4719 8216 6270 9410 12063 8939 8981 10304 12523 9062 520.6087 520.6097@1.072 1877 520.6097 520.6131@4.41 11123 520.6131 520.666@6.521 1446 520.666 520.6736@6.507 4958 2097 520.6736 520.6853@5.184667 3278 3731 2230 2227 2559 2335 520.6853 520.6861@1.0795 2640 4737 2634 2146 520.6861 520.688@1.083 1464 2993 1569 3318 520.688 520.6958@1.078 5504 520.6958 520.7112@6.5109997 1847 2729 520.7112 520.7147@1.078 3936 520.7147 520.7356@6.479 2852 3249 520.7356 520.7467@6.4935455 4655 1462 8263 4099 4251 1421 4314 4202 4296 7779 3080 520.7467 520.757@0.993 2642 520.757 520.7586@6.477 4097 4962 520.7586 520.7723@6.5115 2958 1208 520.7723 520.7746@6.49875 2995 8928 2564 1260 520.7746 520.8036@6.484 11581 520.8036 520.8133@6.486579 15573 4341 2212 13415 6507 20926 18574 2116 5692 10076 9044 9072 11862 9175 8371 10833 4406 11245 9032 520.8133 520.8213@6.494167 1921 6208 8355 5226 22612 7235 520.8213 520.836@6.4956665 8060 5463 9653 520.836 520.838@4.414 3997 520.838 520.8565@6.504 1127 2491 3832 1599 520.8565 520.872@6.49325 1757 3162 2769 3172 520.872 520.8818@6.488 2128 2980 10942 7517 2571 4856 9289 7018 520.8818 520.893@6.498 10927 520.893 520.8999@6.4863334 7866 10363 13724 5590 5069 4590 520.8999 520.9062@4.396 3901 520.9062 520.9131@6.493555 13400 3401 1332 6078 6241 5197 5541 1492 7727 520.9131 520.9281@6.4858003 6195 3398 4383 2908 5009 520.9281 520.9358@4.396 1765 520.9358 520.9429@6.5045 1963 3845 520.9429 520.9517@6.486 3724 520.9517 520.9587@6.4921427 9340 6893 2589 2191 8198 4369 2531 520.9587 520.9696@6.496166 1829 5749 4732 6515 7225 1430 520.9696 520.9853@6.4928336 2802 11283 2455 3592 2309 1893 520.9853 521.0002@6.4835 7524 4087 521.0002 521.0107@6.488 5425 2182 4394 5075 521.0107 521.0162@4.395 1579 521.0162 521.018@5.178 3149 521.018 521.0218@6.5036664 4685 2653 5428 521.0218 521.026@6.48875 3963 3718 5224 3580 521.026 521.0409@6.488 1341 3267 5354 7828 521.0409 521.0534@6.492334 1789 4298 6540 521.0534 521.0732@6.4940004 1625 4998 521.0732 521.0835@6.4945006 1645 7737 2780 5723 3091 6214 1234 2637 521.0835 521.0934@4.406 3566 521.0934 521.1035@6.4885 7234 7918 2942 4178 3351 5640 521.1035 521.1124@6.49325 3745 4994 5713 4147 521.1124 521.1234@6.4895 4837 8779 521.1234 521.1392@6.4900002 5292 5210 7687 3047 5092 6961 521.1392 521.1493@6.4954004 1068 1014 3189 4616 4329 521.1493 521.1502@1.4825001 10856 12024 521.1502 521.1512@5.7055 7936 8356 3217 3707 521.1512 521.162@6.4939995 4274 6318 11789 521.162 521.1693@3.795 6568 5485 521.1693 521.1824@6.4934998 6081 7099 1189 3330 521.1824 521.1857@6.4849997 7078 4040 521.1857 521.1993@2.767 3242 521.1993 521.202@6.501 8354 1295 2224 521.202 521.2259@1.06775 8127 6484 8105 521.2259 C30 H31 N7 S 6620 6558 13921 13547 11145 10810 8268 7407 9627 10188 8255 8733 3763 3649 11841 11437 6057 6638 9996 7498 5441 4126 7014 8756 6332 5838 7182 6771 8933 7362 8998 8347 9337 8991 4648 3949 5785 5520 5656 4956 5258 5841 11776 11515 8209 7613 8687 9215 5949 6426 8994 9633 10609 10544 9270 9429 8089 7587 10170 9663 6672 6137 3721 3755 4640 4616 3814 5617 5564 4651 4151 4418 2863 4477 4461 4815 4570 5842 4279 3092 5717 6337 5218 521.2363 521.2532@5.4172497 2798 3047 1838 2107 521.2532 521.2803@3.13275 6864 7017 11084 6508 521.2803 521.2828@3.217 8174 8014 521.2828 521.3502@1.2080001 3911 6920 4918 521.3502 521.352@6.5200005 5348 370403 521.352 C19 H39 N17 O 94123 114299 116802 59412 60406 78076 76534 130789 101011 133508 131294 75781 81080 40398 41592 112039 139442 134712 106065 147026 148132 66159 66118 99949 77822 72642 70729 161833 206239 71977 69235 75409 72343 105436 98996 38316 33384 95926 95795 124448 130429 73304 89337 76344 75894 144444 138298 68174 65680 99511 122182 70119 71553 66511 51298 83396 115253 93596 72064 86786 89827 70911 89579 76661 58502 72665 70270 114784 87080 105090 137551 48114 47953 109943 137677 159594 158583 161756 164157 71927 76977 92854 75912 76491 94935 93121 188671 242528 68066 67937 521.3528 C23 H51 N7 O2 S2 1833875 1834608 2071329 2264427 1503098 1389913 2494354 2333470 2285559 1958517 3104432 3368846 2024529 2186268 965236 969609 1884176 2012768 2310438 2158509 1944925 1833245 867997 907806 1474528 1523404 1583519 1549403 3144890 2984400 1744336 1735761 1653005 1450650 2586980 2782371 1255722 1376910 2885431 2467302 2459066 2256706 1423689 1433566 1471553 1917142 2338318 2557450 1483433 1469383 2160943 2168691 1492109 1484901 1145662 1226753 2254625 2051189 1859177 1781572 1640037 1769540 1729026 1766504 1836102 1746795 1628782 1626115 1840919 2001479 2401521 2237733 935431 926580 1685115 1870223 3902586 3796539 3141066 2480568 1744408 1558801 1796785 1403566 1279889 1945164 1942835 3157199 3159709 1398113 1225458 521.3544 521.3655@1.208 3253 521.3655 521.3734@1.17725 3642 4449 3708 2688 521.3734 521.3807@1.1513333 1368 5340 3223 521.3807 521.3866@1.1508571 1678 3232 2514 2302 2277 2562 6461 521.3866 521.4063@1.131 3395 8723 7041 521.4063 521.4182@1.1125714 14225 9719 9151 18081 11913 9203 11199 521.4182 521.4194@1.066 20242 68063 71187 64845 97085 2126 1462 14882 24371 17817 521.4194 521.5334@6.511 1612 521.5334 521.5414@6.476111 3769 60869 2252 1095 1114 20999 1113 4429 1224 521.5414 521.5865@6.528 1071 521.5865 521.5871@4.398 2610 521.5871 521.5928@2.6841276 5557 5249 5778 6289 6642 7013 4557 7041 5465 7009 4854 7291 6366 5691 7308 4806 6473 6323 7237 5660 6762 5077 6227 6185 6285 7026 4722 8168 7825 6951 5806 7026 5553 6690 7429 7480 5462 6369 5496 6063 6333 5969 5761 31939 31017 6020 6415 521.5928 521.5928@1.658 8623 521.5928 521.6025@6.5020003 1046 3117 1514 521.6025 521.6104@6.4915 4002 5366 521.6104 521.6397@6.495 4708 521.6397 521.6611@6.4985 2168 2126 521.6611 521.676@4.414 2018 521.676 521.6761@6.492 1600 4547 1197 521.6761 521.6913@6.5055 1924 3185 521.6913 521.7062@6.4954004 1093 1247 2791 2502 1290 521.7062 521.7189@6.514 2091 521.7189 521.7484@6.44375 3606 1325 1229 5558 521.7484 521.7563@4.402 1222 521.7563 521.762@6.461111 3049 1918 1460 6577 6688 2848 11687 4560 4910 521.762 521.7655@6.4658575 1750 2863 3859 2311 2047 3293 4064 521.7655 521.7796@6.4891996 2634 4139 1570 4435 1370 521.7796 521.7912@6.475 4090 521.7912 521.8209@6.4590006 5519 7331 3029 11663 4409 9777 2286 10990 13449 521.8209 521.8231@6.463 1201 18894 23732 19381 15234 5848 14871 9017 19087 2013 3207 9254 1085 4946 12058 2687 15330 20351 521.8231 521.8394@6.4583335 19648 16736 2423 521.8394 521.8554@6.491 1957 521.8554 521.8676@6.4685 2649 2229 521.8676 521.8788@6.4678574 8715 5076 3292 3565 2082 1564 5607 521.8788 521.8946@6.4572225 2474 3638 1078 7286 2550 9987 16920 1643 6848 521.8946 521.9092@6.44675 2974 6885 3220 4432 521.9092 521.9161@6.4614 4421 8391 5935 1797 5743 521.9161 521.9279@6.448667 5317 2133 6823 521.9279 521.9323@6.4445 3654 13228 2255 1457 521.9323 521.953@6.45325 8394 5178 4039 5262 521.953 521.959@6.46575 6077 1092 4921 1860 521.959 521.9764@6.4575996 7450 4149 8111 4421 5388 521.9764 521.9856@6.44775 2825 4151 6408 3611 521.9856 521.9961@6.474889 6246 2184 1856 1568 2685 3470 5100 1289 14462 521.9961 522.0@7.3550835 2771 5522 6749 2592 2624 3390 3408 2638 3129 3144 3147 3539 522 522.0074@6.448 3214 522.0074 522.0179@6.474 4340 522.0179 522.0383@6.442667 13013 15327 6870 2066 4763 17143 522.0383 522.0423@6.462444 9353 4304 6361 8858 6362 7121 2172 2011 2854 522.0423 522.0613@6.4955 2838 3255 522.0613 522.0736@6.476 1982 3860 522.0736 522.0829@6.446 7962 522.0829 522.0991@6.4481254 7529 1331 7127 3849 10803 3687 5587 1132 522.0991 522.1033@6.468778 3526 6278 1707 3226 8492 7396 3980 9358 2114 522.1033 522.1153@6.4589996 7429 8521 10754 522.1153 522.129@6.445667 8538 10518 12492 522.129 522.1468@6.4556246 6421 5042 3300 7973 2408 2031 9132 5790 522.1468 522.1496@6.49 4110 522.1496 522.1533@6.4606667 6560 1947 2984 4116 4496 8400 4609 3248 6726 522.1533 522.1705@6.4839997 8782 1579 2197 522.1705 522.1793@6.4880004 3027 3312 2424 522.1793 522.2047@6.4744005 1947 8224 1915 3747 2200 522.2047 522.2138@6.4893336 1903 2041 3114 522.2138 522.2263@6.48 2320 522.2263 522.2363@4.4425 3736 2489 522.2363 522.3326@7.3556 2188 4903 4982 2997 2906 522.3326 522.3659@1.1460526 5321 5771 7219 3846 2427 5045 3128 5599 7601 4771 2725 2769 6530 12510 18062 4015 5225 7371 522.3659 522.3686@1.1376667 3855 5369 2938 522.3686 522.38@1.1417297 4269 6345 2888 3179 16869 7647 10227 29059 22013 6638 5308 11536 11926 9919 6046 6067 10952 6575 8850 12993 24941 3947 2784 7647 6253 5426 12453 14710 3757 18191 3750 3690 19485 12951 2868 2953 5441 522.38 522.3888@1.1393461 4499 18886 9825 14662 17873 5755 6206 13195 4551 14226 3023 8417 4671 12760 12525 10409 3277 9515 17111 11702 11267 4906 17304 4479 24045 14977 522.3888 522.4302@1.0556155 177582 133582 105123 62027 12992 39970 24086 69381 94793 45042 15328 74149 522.4302 522.5424@6.4746246 1866 2320 2690 2308 7774 1813 3155 2528 522.5424 522.5499@6.419 2412 522.5499 522.5537@6.49675 1659 3482 2286 3601 522.5537 522.6063@6.503 1360 522.6063 522.6153@6.465 1481 3098 4369 6123 522.6153 522.6393@6.4526668 3464 5421 8940 522.6393 522.6554@6.4625 1979 1687 522.6554 522.6722@6.4900002 1644 3104 1370 3420 522.6722 522.6791@6.4807997 2300 2869 2322 1951 2487 522.6791 522.6942@6.4969997 2801 1672 522.6942 522.6984@6.475 2158 522.6984 522.7018@6.4535 1711 2366 522.7018 522.7142@6.466 1440 6464 4882 522.7142 522.7219@6.4805 3986 3902 522.7219 522.7309@6.477 3392 522.7309 522.7437@6.447 3604 5477 4777 2748 522.7437 522.7559@6.456333 6091 2463 3350 2941 4465 2361 522.7559 522.7682@6.45325 5602 5058 4100 6072 522.7682 522.7758@6.473625 6792 2492 5151 3624 4191 3217 1546 2308 522.7758 522.7769@6.4598565 4097 3358 2454 2367 3991 1375 4420 522.7769 522.7914@6.452 3076 522.7914 522.7938@6.4850006 2285 2999 2050 2578 522.7938 522.8021@6.461 6950 2806 522.8021 522.8175@6.4835997 2943 1532 3084 2188 1409 522.8175 522.8196@6.4574 4482 7549 2298 7006 2625 4376 3601 2688 3315 3368 522.8196 522.8333@6.4491997 5039 3430 2788 4306 2933 3706 2258 7076 2062 11467 522.8333 522.8454@6.4575 1949 3161 522.8454 522.8613@6.461 4306 1842 2726 2424 522.8613 522.8765@6.4395 4833 3129 522.8765 522.8843@6.45125 2799 3412 4935 6794 522.8843 522.903@6.457 5977 3985 1845 2450 3613 522.903 522.9188@6.4483995 4248 1742 3272 2764 2008 522.9188 522.9333@6.453 3839 4864 1234 2791 522.9333 522.9379@6.4555 4169 2817 522.9379 522.9455@6.474 1599 1925 522.9455 522.9645@6.4502 3469 2828 2422 4830 8901 522.9645 522.9703@6.4575 2383 1963 3213 3226 522.9703 522.977@6.450334 2765 2928 2581 522.977 522.9952@6.4606004 2158 5597 2777 3655 2543 522.9952 523.0033@6.437 1244 6897 523.0033 523.0164@6.4449997 5615 2366 523.0164 523.0311@6.4575 2029 2945 523.0311 523.0402@6.4486 3395 2369 3709 1283 3468 523.0402 523.0418@6.478 2542 523.0418 523.0547@6.4535003 4048 3292 3148 3474 523.0547 523.069@6.492 1607 523.069 523.0848@6.4546666 3477 2509 3813 523.0848 523.1018@6.4551425 2625 3883 4548 4998 2848 4406 3576 523.1018 523.1153@6.4545 3628 4165 523.1153 523.1226@6.4475 3910 1849 523.1226 523.1357@6.4546666 4658 3503 4835 2136 2887 1793 523.1357 523.1448@6.4536667 3236 2354 5417 523.1448 523.1513@6.459 2792 2633 2024 523.1513 523.1594@6.4575 2621 1829 523.1594 523.1755@6.478 3568 523.1755 523.1976@6.4723334 3798 1342 2283 523.1976 523.1983@1.0999999 2689 523.1983 523.2434@3.514 5076 523.2434 523.2447@3.4793668 31909 33453 7544 7114 5851 6067 9434 9371 7486 5970 8277 8201 8935 9447 7392 8592 17957 17617 11895 3560 5252 31892 32950 12434 13335 7832 8076 7990 7696 10122 523.2447 523.246@4.023 11882 523.246 C23 H49 N5 O8 6969 11869 7706 4633 31537 26530 6083 8674 12565 19165 11443 12689 5996 6982 8445 14063 42461 24268 123622 139979 13735 6505 40388 38803 27595 11168 16443 51716 5444 3174 5692 9388 15659 15803 4821 28381 14442 17565 9002 28046 29106 15250 15970 9380 15153 49577 50658 5575 11044 6216 6921 9638 12960 12740 11662 9890 54478 23208 11753 6233 16901 17069 4455 5789 14400 14579 16795 6642 2421 7395 5519 25196 26016 12308 13719 3291 5985 15370 4317 15774 17023 10643 6921 523.3585 523.3595@3.9528396 5549 2739 5707 2649 16146 6300 5994 5921 32186 3207 12855 12335 8658 7496 13730 7187 8260 7015 20723 4687 5718 5726 6154 9152 11355 523.3595 523.3672@6.4754 86270 47774 107650 5271 197268 523.3672 C18 H45 N13 O5 88973 57236 86864 109141 83416 100066 75062 54301 138301 89869 133353 133790 104213 102530 43262 77419 129550 91426 139440 188672 145249 75184 38452 20422 79247 73143 104110 68473 147057 182314 92165 77099 99800 68842 86688 83598 39188 49873 111358 71910 86260 127470 105785 108113 44090 68084 143537 99094 65839 90958 53833 68880 87416 46724 67872 43439 54656 97890 77359 52139 92422 124352 103259 100179 50570 51523 100815 87974 74838 99064 133741 78856 45729 47390 106015 75522 94158 119150 137600 187966 102516 84079 82727 80075 90312 74240 98675 193941 216035 59411 43175 523.3682 C22 H49 N7 O7 791060 842510 1087419 885357 1246130 1246087 2390465 1826528 1192794 1453759 1592829 1653305 1770823 2476018 880769 885422 1347046 1331788 1892739 1991195 1009201 1165088 398679 590837 1553689 1087059 1105307 1073847 1232942 1355822 1131090 996769 1333636 1327821 2274387 2282018 990397 850143 2137051 2376395 2260213 1748803 1153458 1277322 999824 729310 1627230 1638474 1548001 1533077 1064503 1737313 919357 990457 860712 732588 1086213 1280162 1300227 1440239 1535429 1539075 1334461 1591704 1684929 1564273 1467776 1647399 1776662 1727550 1648741 1472637 1101675 1094806 1267571 1264193 1620178 1474645 1811758 2139377 1358632 1279706 1238086 1136260 1136910 1942751 2114239 2493123 2481330 863376 998849 523.3698 523.3827@1.1708332 13731 13170 3357 4144 5217 6349 523.3827 523.3916@1.1369336 2456 2562 6138 5342 4262 3762 4223 5620 2078 3284 1977 16655 16792 7374 2744 3071 3717 3920 2915 3499 2359 3429 2615 5370 3283 4354 3474 4611 4750 7054 523.3916 523.4038@1.22 1320 523.4038 523.4199@1.0958333 6057 11107 8836 11153 12525 9888 523.4199 C31 H58 Cl N3 O 18462 12334 16161 20567 26250 27532 60828 38784 37666 10636 63546 11226 21991 39448 5656 14116 24985 57328 34111 13198 64197 73717 83627 23303 22964 28537 29045 33958 51809 14954 35270 56583 61629 24573 25032 15168 40135 33881 37881 16965 33866 70136 47410 23048 24056 29011 55180 57635 51908 25613 76183 67015 21954 40699 7067 45252 34598 40480 32240 59913 16102 30542 35525 38746 40003 19443 19543 34170 35165 523.4245 523.4346@1.16125 13871 7125 2502 11290 523.4346 523.4441@1.0315 37253 18872 523.4441 523.5539@6.4815993 2315 1953 2533 1688 2281 523.5539 523.5598@6.457667 2001 1852 28457 523.5598 523.5754@6.488 1716 523.5754 523.6442@6.42075 19822 34921 3654 26786 15985 18925 10520 13203 523.6442 523.6478@6.417 23289 523.6478 523.6529@6.4674997 1167 1502 523.6529 523.6765@6.475 1765 523.6765 523.7015@6.4700003 1778 2486 523.7015 523.7148@6.458 2200 2030 1161 3160 523.7148 523.7202@6.4583335 1497 2752 2996 523.7202 523.7306@6.4507504 3064 2101 1536 3196 523.7306 523.7513@6.462 2478 523.7513 523.7752@6.4440002 7719 1954 3646 3732 523.7752 523.7862@6.44175 2808 2632 3782 4179 523.7862 523.8086@6.473 2743 523.8086 523.8394@6.42425 9575 8174 16433 11213 2595 16637 6673 11111 4176 9768 6889 7259 4269 7706 5502 16158 523.8394 523.8484@6.429533 4992 10626 8707 14547 18519 7545 2477 7947 7496 12732 9354 10326 1648 10026 2074 523.8484 523.8584@6.433 10037 523.8584 C13 H4 N2 O13 S4 7435 5550 5428 4227 6545 3363 8126 11977 7718 71235 2764 13289 12992 7646 13527 4624 9583 10809 12845 7674 8694 4640 13918 7478 7062 10532 6823 15657 24256 6452 6778 7132 4363 5352 27291 28877 2469 3922 7910 3142 6151 6213 7281 7914 6341 8288 6502 5559 5823 6824 6963 3274 8540 523.8601 C10 H7 Cl3 N6 O7 S3 14169 13999 3878 7779 2072 2396 9046 12603 70349 6430 20175 7839 4654 27290 10396 5314 3205 4421 13027 4411 9975 3559 5100 5487 5863 3433 2448 3702 5081 3809 523.8607 523.8763@6.4436665 2196 3733 4216 523.8763 523.8851@6.456 2048 523.8851 523.9017@6.4306 3145 3701 10442 7096 4428 523.9017 523.912@6.443333 7971 2816 5467 523.912 523.9276@6.4352503 6168 5113 2370 7342 523.9276 523.9426@6.434666 2087 6026 1362 523.9426 523.9608@6.438166 2990 2204 7534 13174 5560 2580 523.9608 523.9669@6.433 3204 3518 2219 3533 2344 523.9669 523.9675@6.465 1772 523.9675 523.9852@6.43175 3345 6292 6672 10032 523.9852 523.9891@6.428667 5718 1534 5128 1783 3361 2696 523.9891 523.9931@6.459 1822 523.9931 524.0007@6.424834 7611 3898 4711 8574 3836 2600 524.0007 524.0111@6.4115 2107 3565 524.0111 524.0219@6.4294286 6479 3582 2076 2636 9910 4798 5571 524.0219 524.0364@6.435 5253 1705 524.0364 524.0504@6.4344 3818 1436 7306 6932 3659 524.0504 524.0619@6.43875 5898 10680 5964 1909 524.0619 524.0729@6.4344 2884 1420 1858 8867 4653 524.0729 524.0842@6.427 4491 1762 524.0842 524.0933@6.431 3144 524.0933 524.1087@6.4331427 1523 13349 3316 2212 6477 7296 6435 524.1087 524.1164@6.4222503 7432 5283 4118 7118 524.1164 524.1302@6.4285 11773 4725 524.1302 524.1401@6.4344997 3151 4146 524.1401 524.1493@6.4288335 1787 2896 5782 4757 3803 8532 524.1493 524.1605@6.418 10328 524.1605 524.176@6.4399996 2047 3548 524.176 C31 H28 N2 O4 S 8112 9497 9672 11027 12429 16130 15834 9017 9036 4968 5054 7572 12493 14926 4701 9208 9795 11462 11683 9679 10754 12936 13104 6317 6918 10379 8989 10243 7758 11751 12411 11857 13348 11182 10650 10729 10544 10386 8158 7412 5667 4910 5306 10433 10888 9996 2615 10700 8958 524.1777 524.1812@6.436333 3032 10441 2110 524.1812 524.1875@1.041 5575 524.1875 524.1964@6.4275 7583 7315 1678 11527 524.1964 524.2066@6.4245 3448 3361 524.2066 524.2075@2.0366666 2701 2746 2277 524.2075 524.2278@6.4189997 2571 3209 524.2278 524.2866@4.402 4114 3806 3680 4860 4737 5508 3403 524.2866 524.3023@1.0425 2743 2912 524.3023 524.3618@3.9586668 2455 13200 5571 4187 5224 10542 524.3618 524.3688@6.477 6124 524.3688 524.371@6.44 34971 524.371 524.3749@1.1486667 5557 2694 3344 5297 4976 5516 22612 9565 4303 524.3749 524.3791@1.13625 12673 8035 11103 12866 524.3791 C25 H49 Cl N10 4362 4214 3885 3331 9301 5637 6006 4729 7536 6054 7118 7522 7020 10625 9289 7214 3998 7059 7722 7031 7660 8214 4127 12502 10527 16375 3460 4269 2168 4998 5761 4084 5469 24925 13069 4778 12411 2716 12396 9331 10133 4296 4853 5272 524.3814 524.3942@1.113 3519 10485 524.3942 524.4087@1.092 3158 524.4087 524.4267@1.0534999 8879 10344 6035 6290 5717 9465 9472 12970 10114 13159 8575 16717 11042 9260 524.4267 524.4393@1.04744 14444 24633 18353 19202 20126 25250 20797 17642 20289 69286 8630 13465 17734 9002 11079 4840 15681 20105 4691 12155 14282 18218 15928 13578 14257 524.4393 524.5626@6.4533334 2478 4777 1924 4147 2386 1276 524.5626 524.6413@6.4221 4631 9177 8274 3108 6251 6961 7866 4574 8233 10401 524.6413 524.6472@6.4244323 4127 5260 5007 10852 2615 7432 7379 3420 5019 5866 7875 8070 1916 5087 5866 4010 6118 7279 7240 3676 10797 12369 3585 6825 6106 6712 5741 4456 6052 7038 8762 11189 5113 4309 4434 5057 9328 10701 11644 1378 9940 8209 2201 4060 524.6472 524.6572@6.4253335 5599 4696 6983 524.6572 524.6654@6.4554996 2777 1525 524.6654 524.6941@6.428571 2160 2280 3518 3191 5571 1423 2872 524.6941 524.7085@6.4286666 5140 2785 3026 524.7085 524.7173@6.429 3932 2287 524.7173 524.7216@6.43725 3315 3462 1634 2080 3115 2966 3661 3576 524.7216 524.7484@6.434 1350 4011 524.7484 524.7592@6.4233003 1843 4255 2935 1946 6353 3767 2900 8072 5133 6449 524.7592 524.7723@6.4312005 4185 3565 2263 3468 4305 524.7723 524.7811@6.427 3031 524.7811 524.7899@6.4216366 3457 3158 2528 2244 2901 6392 4111 2905 3305 5574 1676 524.7899 524.7998@6.4325 3591 2446 524.7998 524.8155@6.411 2704 524.8155 524.8197@6.4296 2966 1641 3678 5427 3630 524.8197 524.8368@6.4296 2590 1189 4361 9576 2097 1763 3288 2116 10353 2215 524.8368 524.8468@6.429 2923 5881 524.8468 524.8567@6.4237776 1374 2141 4095 2652 2334 3914 5010 6311 1831 524.8567 524.866@6.417 3901 12182 1329 524.866 524.8851@6.425375 3471 5506 2453 5476 5724 5879 4123 2009 524.8851 524.8879@6.411 4301 524.8879 524.8997@6.4175 3001 2452 524.8997 524.9148@6.4304447 2217 3166 6161 1533 3537 2739 4263 2154 2523 524.9148 524.9244@6.417 2559 524.9244 524.9385@6.43 2797 5851 3223 2387 524.9385 524.9465@6.419778 3812 2739 2857 3997 2907 1722 7277 3256 7075 524.9465 524.9495@6.436 3230 524.9495 524.9714@6.43425 3649 4014 4257 2125 524.9714 524.9837@6.4263334 2557 3940 2165 2670 3285 4557 1519 3189 5779 524.9837 524.9937@6.4245 1708 2493 524.9937 524.9996@6.4236665 4475 5275 2300 524.9996 525.0157@6.4295 4778 1742 525.0157 525.0233@6.421 3316 525.0233 525.0389@6.428 3457 5237 3372 3234 525.0389 525.045@6.414 1816 525.045 525.0568@6.4240003 2628 3096 1351 4047 525.0568 525.0692@6.4220004 1943 2713 4125 525.0692 525.0778@6.406 1183 525.0778 525.0899@6.425667 3101 1855 1345 525.0899 525.0995@6.4268336 1776 4469 2939 3376 2347 4570 525.0995 525.11@6.42925 4266 3045 1842 1323 525.11 525.1207@6.4253335 4332 2106 3194 525.1207 525.1332@0.85150003 2897 2685 525.1332 525.1414@6.421 2804 1478 2913 4255 4530 525.1414 525.1536@6.4219995 3949 5241 4218 525.1536 525.1682@6.4305 1729 2912 525.1682 525.1883@6.4290004 3366 2717 3717 525.1883 525.192@6.4238324 4620 1464 1850 2223 2397 1969 525.192 525.2012@2.0356088 3106 3247 3459 3303 2480 2709 3051 1989 3024 2411 6424 6581 4967 4586 2767 2675 2214 4536 4808 3917 3356 2067 2321 525.2012 525.2199@6.4303336 3146 1594 1960 525.2199 525.2392@6.432 1543 525.2392 525.2591@5.153333 3489 3500 4364 525.2591 525.2599@3.327906 203800 12650 12659 7576 71201 69621 74408 70639 57581 57701 108225 106529 5722 8937 159525 47276 47717 55514 51838 33926 34208 3587 14495 4098 9897 11795 262266 261041 8642 59717 4800 4283 525.2599 C28 H31 N9 O2 207792 36959 31363 63242 46024 14785 14284 26981 21785 5201 130955 129112 19172 14665 111204 109161 161331 7983 31414 34263 26147 26207 173545 171186 15225 12935 38734 46055 42500 55196 41957 7834 45221 38311 101510 103681 62779 61664 62144 6274 5190 47339 44214 260483 256894 136795 138390 80696 81704 80491 45844 44826 59910 54774 55481 53975 525.2602 525.2615@3.887 89306 525.2615 525.2894@5.2235003 3578 3653 525.2894 C27 H47 N3 O S3 24207 24554 19566 19686 12617 12586 19205 19253 10817 8915 30561 29388 23578 23702 10427 11440 14768 14014 13521 13970 12251 12451 7504 7183 16769 16443 16435 15010 11791 12603 21201 21270 13619 12674 9343 10210 8758 8678 27115 27087 13808 12126 10785 10533 21717 23419 21978 21666 20777 20862 20022 20976 9543 10663 24347 22828 17427 17593 44956 46011 25266 25857 20268 22179 14989 15076 12896 13122 20488 19748 23603 22060 6108 6277 12063 12901 31928 31010 31279 16953 19036 15591 15163 15695 16666 15624 11211 10504 18976 23612 6159 6225 525.2901 525.3138@6.803 6917 5766 525.3138 525.3508@6.488 3821 2781 2662 3186 525.3508 525.3622@1.6455 5328 6653 525.3622 525.3624@6.4749994 4203 6173 6746 3249 3378 4493 6165 525.3624 525.3705@6.456 5223 525.3705 C23 H51 N5 O8 3715 3526 3994 3911 3464 5531 5123 4941 6691 5121 2173 5677 5307 10592 5675 5162 5711 6658 3445 4141 4241 5223 4578 5067 5399 3501 4711 6219 6325 4213 6503 2947 2477 2995 2885 3062 5981 4239 3923 2747 3076 3245 4315 4442 4749 8155 4765 4430 4322 8532 8404 3394 3329 3997 3930 525.3735 525.3964@1.1271999 3922 2107 4578 3933 14134 525.3964 525.4076@1.1026087 18493 30702 2019 1851 26771 6251 28570 29343 20594 20203 11750 4500 22966 12977 5043 3932 10161 12667 27327 3363 4681 1769 18297 525.4076 525.4085@1.0825 11549 9263 525.4085 525.414@1.1325485 2085 15056 8723 2202 18032 2176 1859 2015 27248 2359 2772 2548 2584 3447 1854 29128 25484 3522 14862 13946 25936 5247 1914 1883 3854 26082 36344 6977 23704 26230 525.414 525.4251@1.045 2243 525.4251 C31 H59 N O3 S 1995 25993 2474 13261 8853 5259 14536 13734 2814 2520 2118 2004 26994 27053 18284 17325 3471 269005 264361 10217 2547 24823 24358 2123 1878 2927 2889 7375 11557 12447 1797 46798 47007 6625 6623 2359 2274 3826 5315 3423 15339 18624 19085 17698 11756 12746 4633 4452 6827 3675 3469 3452 22311 21281 3449 3483 4658 8884 9826 525.4268 525.4276@1.5026666 29654 27757 6061 525.4276 525.4444@1.0338461 2664 4316 1753 1285 1529 1509 4111 3650 3161 5593 4870 2173 1536 525.4444 525.4463@1.0325 3002 2443 525.4463 525.558@6.424 2362 525.558 525.5634@6.4145 2318 2028 525.5634 525.5735@6.436 3094 525.5735 525.6859@6.418 4163 525.6859 525.7067@6.4213333 1968 2495 2706 525.7067 525.7264@6.424 1402 525.7264 525.7389@6.422 1913 525.7389 525.7488@6.436 2766 525.7488 C11 H Cl3 O10 S4 3256 3207 2489 2738 3025 2905 2300 2424 2634 2606 2886 2638 2688 2769 3123 3207 2477 2906 2856 3178 3131 3564 3221 2900 2677 2425 2485 2591 2455 3274 3411 2712 2679 3058 2878 2846 2678 2588 2705 2437 2514 2698 2487 2605 2554 2262 2661 2434 2892 3085 2251 2559 2708 3029 2561 2627 3254 3129 2620 3186 2236 2673 3324 3218 2669 2863 2649 2709 2128 2744 2711 2851 2294 2447 2800 2714 2704 2860 3115 3081 2870 2978 3098 3027 2524 3136 3025 3070 3191 525.7518 525.7567@6.425 1102 2240 525.7567 525.8212@6.419 1850 525.8212 525.8575@6.414 1485 525.8575 525.8923@6.419 3124 525.8923 525.9115@6.417 3528 525.9115 525.9274@6.438 2508 525.9274 525.9521@6.43 2146 525.9521 526.0815@6.429 2218 526.0815 526.1393@2.712 5771 526.1393 526.2638@3.273 3160 8940 526.2638 526.2643@3.3431666 10607 4290 8954 4357 3061 3032 526.2643 526.3214@1.199 1358 526.3214 526.3419@1.17525 12380 3407 4785 7720 526.3419 526.364@1.1318749 9983 29851 2894 8604 19045 3282 23375 8087 526.364 526.3726@6.456 1731 526.3726 526.3733@1.1345 2908 15247 526.3733 526.3773@1.1261001 24294 4598 4153 5382 3812 7473 3802 7355 3843 3832 6267 3309 13286 4770 9700 4200 3965 3528 4140 6162 526.3773 526.392@1.1053333 5344 6152 6329 2270 4629 4169 2530 2417 7409 526.392 526.3963@3.901714 4346 6499 3907 12774 8063 9045 5809 526.3963 526.3988@3.711 9681 1943 526.3988 C30 H50 N6 O2 6472 4564 6374 5610 5186 3322 2708 8580 3108 3537 5692 2317 4963 6641 8968 3678 9556 4611 5746 8072 3440 3110 7342 4564 9049 10446 5671 4525 6126 7366 3208 4039 14337 9500 6493 4074 4234 6483 10971 11594 10879 4302 3616 4304 5634 4474 11188 5420 2841 3958 526.3996 C29 H54 N2 O6 5683 3592 4966 5307 4929 4569 3195 5104 5512 4562 4270 4831 3225 6088 3404 5755 6128 5438 5574 6252 4973 4433 3454 4991 3743 5100 2221 7545 3084 6676 15735 5737 4873 4906 3157 3794 5644 7760 3716 3459 9042 7138 3537 5983 6650 6431 7089 5548 4631 4582 2375 4255 4323 4292 10676 526.3999 526.4065@1.0753076 7881 6457 1707 5016 6853 5142 6357 4484 8558 7281 6372 10070 2228 5515 3035 6185 7018 6648 6272 4129 9982 8625 4769 6398 5200 5214 526.4065 526.4146@1.2045 3965 3999 526.4146 526.427@1.527 2867 526.427 526.4308@1.0405 1925 1531 19962 1900 526.4308 526.7279@6.41 2126 526.7279 526.8838@6.419 2991 526.8838 526.901@3.635 3456 526.901 526.9012@6.445 2081 526.9012 527.1397@6.423 2487 527.1397 527.2671@3.2915 6539 1892 527.2671 527.291@3.42025 4868 4629 6108 5530 527.291 527.2981@5.33 4672 527.2981 527.341@6.295 1915 527.341 527.3603@2.8778334 73784 73262 54946 53537 67838 68523 527.3603 C31 H55 Cl2 N O 4984 4771 5886 5576 9300 9207 8802 6554 6343 15358 6595 3511 5734 7610 9080 9492 11271 11370 10872 6596 10341 5938 5583 5772 7455 6850 7503 8094 8661 6673 7527 13750 8680 8465 6285 15481 19348 5594 527.3638 527.3643@1.208 5356 3568 527.3643 527.3741@1.123 2401 2365 5671 527.3741 527.3843@1.1435715 1866 3033 2335 2616 1832 3411 1578 527.3843 527.3978@1.22 2207 527.3978 527.4055@1.1111538 4576 2896 4423 4975 4490 2799 3984 4604 5555 4109 2451 3082 3535 527.4055 C22 H49 N13 O2 4667 10148 9326 3846 3840 4879 8036 4408 9759 8070 9915 9519 4750 3523 3910 8080 7477 4127 6322 3902 10161 4792 6415 5873 6859 3767 5039 9022 9179 9597 5795 4412 7079 14002 6743 6847 4549 5632 6525 6447 6523 6950 527.4161 527.4193@1.068 6565 527.4193 527.591@6.418 10840 527.591 527.7523@5.532 1288 527.7523 527.8058@6.444 4395 527.8058 528.2002@3.4833336 12688 12889 5573 6559 11652 11962 528.2002 528.2118@1.208 1883 528.2118 528.2466@1.0276667 11472 16659 14580 13788 78650 78432 528.2466 528.2484@1.0297999 11072 1860 14017 12107 11819 528.2484 528.3255@1.018 1884 528.3255 528.3338@1.208 3826 5821 5960 5625 528.3338 528.3343@1.6397501 5290 5588 48735 51491 4802 5751 4667 4521 7651 8258 29282 30895 528.3343 528.3352@1.801 9750 5356 7942 528.3352 528.3381@1.772 3162 528.3381 528.3483@1.18536 11051 5456 6906 6300 4914 7943 7056 1730 7470 5847 3572 4434 6062 4452 5624 11455 3180 64174 7975 8846 7643 8013 13101 6239 4423 528.3483 528.3487@1.12 5509 528.3487 C32 H52 N2 S2 9685 8070 8175 18520 11857 8359 8189 13818 10646 8931 15552 16538 18188 16383 9178 9106 13578 13063 17459 11563 6577 10791 7400 9369 8635 13958 4757 13110 12625 12640 12972 14065 13310 10876 8956 11114 7269 11330 12924 14274 14231 13266 14584 11966 12765 11854 12785 11991 8138 15639 14333 13740 15631 12059 8601 7987 15741 5579 528.3552 528.3635@2.991 5060 528.3635 528.3732@1.1273685 11844 11460 8417 10459 8545 12228 13429 15829 4081 5367 12134 8195 11207 13485 7930 9425 4192 3675 8520 528.3732 528.3794@4.115625 5358 5366 5539 6618 6128 5731 9151 9345 528.3794 528.3826@1.07 4077 3216 3819 528.3826 528.3922@1.068 3911 528.3922 528.4027@1.0623635 8220 8116 3817 13871 6069 6639 2516 8548 5717 3970 5579 528.4027 C36 H52 N2 O 3365 9865 9137 7895 7472 3708 6931 11591 11077 1974 10204 5088 11820 11601 11745 3493 2051 10005 5560 3466 9205 10943 6912 6803 9584 3345 3594 7130 6870 18441 9968 5875 9046 9052 1683 5733 10928 4576 12075 12008 6126 11334 6576 13321 10857 5499 3916 2529 6985 7142 1975 2177 528.4052 528.4188@1.039 11151 1891 528.4188 C27 H56 N6 O2 S 4587 10667 10517 8641 7795 9217 9425 9748 9946 15001 19675 17687 20007 22948 13839 17718 16902 19592 7180 24373 29108 27688 30006 32265 37226 33969 9946 12027 6814 5883 8408 9395 12559 8208 8234 9335 11633 13509 14805 15780 14075 21334 23135 18997 25915 6686 31452 4799 4554 15814 27709 4985 21456 17892 5718 25714 9578 9869 12450 10748 2819 8696 35930 36363 8223 11139 12900 14749 19760 33754 20421 28195 28152 20622 25437 14388 16017 19752 34169 25807 28955 37302 9916 37239 24246 24289 24841 24157 528.422 528.8771@4.11 4040 528.8771 529.0836@3.951 11228 9894 529.0836 529.1983@1.07 3562 4673 3088 529.1983 529.2754@4.9472504 3376 3609 3484 3702 529.2754 529.3231@6.4841294 5762 5702 6495 6735 4400 26134 4140 5211 4673 4624 3245 2603 5748 6014 5286 4322 3290 4385 4344 4401 3443 6498 4790 529.3231 529.3293@6.4816666 5740 5589 3798 529.3293 529.3456@1.073 2739 4339 529.3456 529.352@1.789 5302 529.352 529.3533@6.52175 4499 4579 6969 7478 529.3533 529.3574@1.139 3707 529.3574 529.3625@1.636579 6267 4464 9060 8393 62758 59180 11124 10764 7933 9100 11107 11485 6759 6391 15683 50845 4811 6965 6387 529.3625 529.3645@1.648 36110 529.3645 529.3653@6.444 8864 36674 40188 6914 3944 10625 10399 3381 3841 3494 10906 529.3653 529.3678@1.129 2284 3181 4762 2686 2874 2969 529.3678 529.3735@6.437 4553 529.3735 529.3772@1.1284 2901 2602 3748 3110 3195 529.3772 529.3893@1.075 3029 1778 529.3893 529.4138@1.022 3005 5857 529.4138 C33 H56 Cl N3 3277 1744 2007 2986 3577 9325 9495 5801 5753 10621 10415 4514 2042 6434 2916 3248 5429 5483 5486 5569 6177 1850 6644 1653 2350 1519 7909 6622 3121 2728 4284 5590 3239 9377 12494 4836 7235 7023 8593 7716 4707 5175 4870 529.4243 C32 H55 N3 O3 15723 15047 7475 7797 3539 5201 4454 9921 2836 5238 5195 4641 4677 4526 5051 6716 12935 13028 6123 1795 11781 4189 6299 6591 8864 3294 3295 2505 13532 9028 8629 4327 6709 6277 3936 4384 18796 4745 4364 7524 2562 11011 11493 12339 9397 7527 17663 18681 12156 10910 7691 7483 8477 7991 12115 3197 7433 9108 9626 7475 8035 9300 7827 7481 529.4303 529.4349@1.0718666 11489 16002 15868 18187 18388 13682 12868 12284 12227 13735 12276 9923 11920 12168 22568 529.4349 530.136@1.6035 3935 3547 530.136 530.2116@3.3275836 4765 14603 7957 3610 3767 5589 2918 3357 16715 7288 3857 9381 530.2116 Trp Tyr Tyr 53891 55120 9087 9404 17283 14397 18535 20095 15544 11142 30477 10484 7379 11843 35273 38122 32153 28517 43013 42672 8463 9579 14082 14482 8053 7635 8039 45329 47140 11823 9951 10468 9909 14930 11902 81958 86821 10915 10099 28456 29365 10533 15935 16448 10783 6955 12250 79301 77103 36167 39656 22816 6034 22363 10816 4175 15197 14599 10450 4161 530.2158 530.2175@3.887 15597 530.2175 530.2187@1.1838094 4160 4928 5631 7986 7922 3740 5526 4981 3355 3589 6707 7261 6594 7321 6698 10112 11010 3619 2968 3949 2542 530.2187 530.2254@1.185 2307 530.2254 530.237@1.1637499 5079 1512 7102 9505 530.237 530.2504@1.1526 7243 6708 9429 9916 3696 530.2504 530.2507@1.269 4812 3963 530.2507 C31 H38 N4 O2 S 50721 53757 49226 52213 17349 20466 83612 83066 60932 61155 21942 21311 25264 28078 6953 6484 10835 11269 3397 30705 32254 16195 15037 5412 6701 25715 26062 7938 7468 56361 58694 38882 37828 31514 32163 52520 51631 21729 24405 66291 69267 4689 4966 15448 15047 12521 13868 26476 26087 16744 16071 5437 5573 29797 29291 11225 11898 29365 29739 26119 19544 58328 59956 21752 23032 18859 15789 22703 21020 67660 68486 33359 33830 32263 35147 25923 23271 25698 12900 12663 11685 10600 11847 13862 15276 14834 12481 20076 20057 12762 12012 530.2718 530.3051@0.73800004 3961 4918 530.3051 530.3422@1.1965001 5802 5456 4275 3886 530.3422 530.3496@1.2053334 2560 2996 530.3496 530.3609@1.1902 4675 2473 5676 3349 18960 530.3609 C23 H42 N14 O 14493 20539 14645 13788 38143 34960 15586 14522 19996 9750 20250 19831 7957 5313 14254 27979 29880 25706 4803 19364 5579 5107 4453 11323 7345 17739 11331 6645 12230 12529 27444 23874 17652 22502 22270 8128 14207 16635 18600 17279 15982 20618 19619 19989 23039 20702 16928 27716 28162 21501 19276 20440 19708 18998 18388 8220 14043 10936 11956 19468 14078 18270 8692 11884 530.3639 530.3662@3.902 4804 9109 530.3662 530.3683@6.439 3066 530.3683 530.369@1.1197727 16288 7865 3971 32199 31688 8153 11395 26730 19858 17967 22922 24252 9267 20887 19744 8023 11038 13820 18333 25802 19432 9948 530.369 530.3855@0.985 11676 3993 530.3855 530.4025@1.01 1299 1520 1697 6547 530.4025 C31 H59 Cl O4 23738 20794 37632 37709 47584 45296 28804 32436 38334 38303 67596 68769 63794 64894 111606 109392 110422 120314 62891 62851 139722 138281 79798 81094 104882 101968 153404 154561 148100 150247 61686 61819 34595 35855 34738 37782 29814 35045 65430 63826 55881 60254 88024 90819 81150 76521 104681 103911 86740 87265 157457 147658 96184 97957 62384 61154 191554 199515 122508 120111 62988 66776 335518 340546 258667 280207 351012 357282 245805 254052 98005 98353 128695 138815 227321 218973 67482 48708 69623 105215 103886 122450 155403 156228 105583 108750 422242 401138 2904753 2904121 91348 91401 530.405 530.4129@0.9735 3441 2127 530.4129 530.602@1.012 1701 530.602 530.6754@1.0328 2356 2554 2883 3731 4099 530.6754 530.6878@1.033 1960 530.6878 530.6891@5.3180428 16211 16259 5457 5595 3289 2876 33405 31352 73181 71603 3487 2941 17322 17257 41700 42567 50413 49778 8236 7333 10336 10194 3332 2997 7443 6901 22000 22498 25184 23496 23400 23002 3825 3562 52751 52266 4678 5333 30016 29935 2820 2327 3345 3188 12582 12796 4810 2675 530.6891 530.6897@5.227143 8935 9320 4248 5141 3755 4267 7066 6722 2453 3478 3044 3311 4897 2997 530.6897 530.7018@1.03 1440 530.7018 530.816@1.029 1700 530.816 530.8675@3.917 5058 530.8675 530.8819@1.0315 2069 23356 530.8819 530.9323@1.025 1816 530.9323 530.9411@1.043 1271 5856 530.9411 531.0235@5.211833 6344 7025 4101 4275 3399 3364 5408 4705 2199 2747 3008 2793 531.0235 C15 H17 N9 O5 S4 11617 12595 4585 4377 24904 24360 51795 54461 12228 13314 33940 31602 38939 37148 5662 5762 7812 7021 2895 5497 5621 16980 15307 18248 17289 16644 16664 3181 3016 40341 38074 3409 4118 21928 23459 2853 2877 9665 9542 2302 3670 3222 531.0238 531.1447@1.04 8646 531.1447 531.1526@1.0385001 1059 4637 531.1526 C21 H21 N15 O3 1644 2247 2024 1941 1621 1510 1474 1441 4288 4359 7633 6490 5506 5735 3236 2762 1488 1496 3147 3120 2413 2681 1865 2597 6234 5962 1430 1488 3711 3905 5065 5046 4638 2693 3719 2731 2522 4288 4194 2886 2561 1294 1237 4805 5505 2349 2606 3544 3629 2216 2180 2515 3247 3963 3677 3124 2040 3157 3075 3381 4522 4193 4348 5406 5728 4014 3501 1492 1565 2876 3001 531.1952 531.204@5.7985 1362 1541 1304 7748 7569 4953 531.204 531.2517@1.16 2648 531.2517 531.2793@6.538 2299 2449 531.2793 531.2937@6.542 2349 531.2937 531.332@6.4665 2471 3960 531.332 531.3391@6.410029 2783 3557 1242 2765 1693 2970 3201 22885 20985 2417 2787 1989 1781 2874 2688 3110 2939 3252 1566 2447 4244 2707 1089 1380 2123 1501 3063 3612 2056 2711 3523 5030 3022 4586 4744 531.3391 531.3529@6.526 1611 531.3529 C28 H53 N O6 S 7354 8619 3524 12965 12375 25336 33839 6307 5703 15290 15520 17934 17430 4164 4337 2609 4712 3101 9784 9980 11488 10761 8774 10891 18760 19440 11308 11791 5022 4852 531.3586 531.3607@5.2368 3925 4801 3013 3154 1588 531.3607 531.3812@3.984 2968 531.3812 531.3851@1.2044 7262 8222 11045 28309 27560 9594 10293 8318 10767 12079 531.3851 C36 H53 N S 9263 8299 13627 14195 7150 10580 10403 7527 10388 7726 5713 9208 8691 8930 10921 10353 7362 8063 5465 10239 10204 9757 10380 10271 12412 14723 7724 7295 5501 9579 11377 12616 13443 7883 9852 4410 4153 8631 9087 9610 11729 10623 9574 10344 4185 531.3855 531.3876@1.616 2909 531.3876 531.4003@1.1695 11200 8655 531.4003 531.411@1.1475625 6119 4986 7984 7208 4430 6352 6408 5979 8323 6759 9013 7620 8375 7211 8246 7231 531.411 531.4232@2.047 10173 7574 2961 531.4232 531.4289@1.1408124 2366 18652 10361 15736 14895 10335 3722 5836 19189 19209 18750 4181 10534 10562 11388 33735 531.4289 531.4342@1.0652412 22538 43156 367500 30276 255072 36668 57140 903537 329966 69662 156380 14508 29278 37523 590268 45757 336758 320186 258909 193975 50088 65582 35806 31470 63363 19093 40509 73332 427494 531.4342 531.701@1.065 3033 531.701 531.7123@1.027 15778 531.7123 531.7912@1.038 1134 531.7912 531.7986@1.042 2245 531.7986 531.8039@1.0423334 1347 1880 2783 531.8039 531.8228@1.048 1084 531.8228 531.8339@6.402 1713 531.8339 531.8471@1.0357001 3389 1192 1110 1160 2297 3336 1717 6059 1700 3193 531.8471 531.8493@1.029 2617 531.8493 531.8593@1.04675 1827 1909 2041 2524 531.8593 531.8667@1.031 3945 531.8667 531.9152@1.0004 21013 30277 1815 3024 31665 531.9152 531.9248@1.022 28313 1205 531.9248 531.9338@0.983 85409 531.9338 531.9431@1.061 1711 531.9431 531.9637@1.026 1907 531.9637 531.9765@1.0332 3021 2039 2623 2784 531.9765 531.9787@1.0248889 1915 2650 1654 13571 6654 5439 2487 3362 2508 531.9787 532.0048@1.02 3014 6383 7292 10704 532.0048 532.0152@1.0307499 7005 1065 5017 13215 532.0152 532.0246@1.0144999 5680 2423 532.0246 532.0379@1.0267999 9819 2881 4719 2011 5303 532.0379 532.0454@0.986 10724 532.0454 532.0532@1.038 2986 532.0532 532.0634@1.0335 3134 2367 532.0634 532.0717@1.0174999 4325 5696 532.0717 532.0803@0.993 7111 532.0803 532.0888@1.0318 7402 1008 1281 1341 4697 532.0888 532.1081@0.986 7937 532.1081 532.1205@1.0073333 19412 4198 10502 532.1205 532.1286@0.9988334 11718 3903 8929 8309 16991 13624 20074 6900 30017 33426 6484 24515 532.1286 532.1451@0.987 5951 532.1451 532.1626@1.007 1957 34897 532.1626 532.1828@1.0083333 15832 3878 37659 532.1828 532.19@0.9851999 22351 17942 10424 18143 49519 20554 25287 16596 34061 32638 532.19 532.199@0.987 14707 532.199 532.235@0.984 11622 532.235 532.2464@0.9985 19315 16657 532.2464 532.2611@0.9958 10587 11442 22749 22465 32844 532.2611 532.2697@0.997 6378 532.2697 532.288@0.984 21511 532.288 532.3244@4.2763333 4669 4908 4372 532.3244 1alpha,25-dihydroxy-22-oxavitamin D3 3-hemiglutarate/ 1alpha,25-dihydroxy-22-oxacholecalciferol 3-he 19210 19261 15166 15098 22858 23085 11401 11320 19869 19347 18874 20166 11907 11677 15631 14710 40668 40357 80044 79985 18048 19419 31902 32404 28962 31363 45303 44644 14681 14512 19474 20222 23997 25008 17073 13864 25978 24397 21539 21989 28655 27838 17316 18782 26467 28901 43062 44295 21587 21403 18349 18693 29587 28396 22089 20358 22045 22686 41723 43285 17277 16994 18892 17985 13260 15272 21638 21082 18741 17866 15619 15690 17364 16982 17894 17328 17170 25310 25994 27266 17597 17210 17026 17872 18191 19438 18686 24170 22383 16832 18534 LMST03020492 532.3393 532.3432@5.318272 3459 3149 6605 3927 3712 4201 5031 5234 4936 2786 3225 532.3432 532.3751@1.2072222 8962 11944 8211 12638 8882 8081 5409 7725 4772 532.3751 532.3841@1.1982499 4840 2670 43625 3583 2551 6859 3732 532.3841 C28 H57 Cl N4 O S 137598 28689 17852 22812 40133 44876 16125 48468 88289 185994 48679 42115 40584 40608 2916 34192 18578 29105 29795 48065 52194 40752 183609 4480 47166 43456 10428 17389 41318 35993 24437 22965 20068 19945 38728 39056 49828 55379 22110 2920 4843 36575 22730 23228 255150 85349 41941 43129 58091 113644 3133 190178 2680 304605 2948 65654 532.3953 532.4016@1.10565 3227 39660 24057 39787 6867 29053 27473 25135 69749 17020 25168 43401 38356 26628 37349 48557 24931 30133 19169 16520 532.4016 532.4223@1.0958182 24254 38734 35530 56844 43285 43824 24073 24463 26143 19713 23071 532.4223 532.4286@1.119 42494 5876 532.4286 532.4347@1.046 73442 532.4347 532.6968@1.044 1219 532.6968 532.7067@1.0435 1475 1241 532.7067 532.7172@1.0345 2570 1293 532.7172 532.7392@1.034 1250 532.7392 532.782@1.035 2424 532.782 532.7951@1.0446668 1359 3274 1249 532.7951 532.8092@1.031 2272 532.8092 532.8159@1.0352857 1287 2396 1381 1630 1662 1550 3894 532.8159 532.8177@4.8482504 3647 3277 2229 2219 532.8177 532.8354@1.035 1427 1246 2741 532.8354 C15 Cl N O15 S2 8609 8283 6925 6864 10370 9802 4973 4998 8680 8612 8705 9048 4834 5019 6622 7416 19262 20438 37963 39050 9558 9090 13007 14962 15930 15810 21880 21432 6803 6680 9148 8636 12151 11845 7424 7301 11909 11911 9476 9741 13608 13501 7912 8271 11687 14302 20952 21641 10161 9603 8706 8712 14137 14364 9749 9131 9091 11129 21132 20471 7484 7579 8830 8232 6180 6327 10499 9587 8097 7691 7591 7651 7772 8048 7095 8136 8095 12451 12500 13328 8527 7668 7367 8177 8307 8503 8475 11211 11316 8860 8546 532.8401 532.843@6.23 2253 532.843 532.8496@1.0144 1906 7967 3555 5034 5966 532.8496 532.8608@1.0265 4956 1716 532.8608 532.8709@1.027 1433 2839 8444 1523 532.8709 532.8838@1.0250001 1066 1128 532.8838 532.897@1.03 1427 532.897 532.9054@1.0265 3466 11446 532.9054 532.9133@1.0059167 5569 9797 22082 9716 8757 10337 12985 4475 8195 7839 10127 3698 532.9133 532.9321@0.9915 24014 40224 532.9321 532.934@1.0094376 21908 29159 8754 1531 14764 5660 5290 32345 1952 8923 1900 14451 19374 5979 2170 1737 532.934 532.9462@0.99820006 46865 1681 43556 58911 532.9462 532.9537@0.982 40229 532.9537 532.966@1.025 1004 2152 2602 532.966 532.9689@1.061 1353 532.9689 532.9807@1.032 2935 1332 532.9807 532.9876@1.0156667 2609 4269 3683 532.9876 533.0073@1.0038 4598 8526 10579 6252 4447 533.0073 533.016@1.024 533.016 533.0298@1.0095714 3751 5261 4300 10101 6087 3138 1452 533.0298 533.032@0.999 2045 4511 533.032 533.0396@1.01175 3820 4858 3944 15104 533.0396 533.0605@0.99375004 6234 6577 12275 11021 533.0605 533.0632@1.005 2788 533.0632 533.079@1.0143334 4124 5133 1861 11699 6866 5656 533.079 533.0893@1.009 5823 13104 7276 10489 2487 3178 4011 3519 533.0893 533.1045@1.01525 5254 3099 2929 5847 533.1045 533.1282@1.0085 8360 1690 533.1282 533.1334@2.688 9230 6639 533.1334 533.1341@1.001375 8490 2938 1601 2428 6394 16779 11722 533.1341 533.1516@1.0155001 5011 14292 533.1516 533.161@0.991 20193 533.161 533.176@0.9875 15281 23532 533.176 533.1853@1.019 4441 5680 533.1853 533.2001@0.9934 3819 16493 7316 17831 533.2001 533.2524@1.0233333 3278 3734 533.2524 533.2618@0.991 12208 533.2618 533.2746@0.99266666 7203 3102 2719 15514 6206 24832 533.2746 C21 H43 N9 O3 S2 24287 25207 22286 22605 25045 23583 20899 20943 22860 23390 24844 24461 24949 24495 19064 19018 21375 20008 27200 27713 19420 20102 14083 14226 28570 27435 20388 19616 21531 21803 24763 24220 24483 26108 27325 25879 20007 19367 29458 29757 21543 21734 25162 24116 22008 21983 22809 22638 22102 20878 22291 22963 20087 20596 17297 16501 19570 19223 26262 27172 27118 27335 26312 26487 24227 24012 26523 26676 28525 26800 22898 23712 17766 18860 20369 19856 22821 22547 29389 29686 23478 23914 23292 21786 21827 25856 25799 28862 28186 17535 17535 533.294 533.298@6.4027267 2196 2445 3365 2300 2595 3223 2891 1941 2616 2045 2303 1977 2042 2128 1961 2029 3247 2856 3290 3019 1913 2154 2183 2180 4459 3419 2347 2134 1796 2758 3194 5463 3468 533.298 533.3085@6.323 26058 5291 533.3085 C20 H48 Cl N7 O5 S 4316 3169 3430 4262 4644 4869 4202 4717 3004 4063 3839 3676 3245 4508 3809 7232 7355 3136 9400 9554 2830 3240 3624 3283 3616 7721 8178 929020 936181 5101 4743 273429 275982 3908 4718 3662 3168 5777 6929 5481 4887 2845 2623 3486 3427 3394 3789 4683 5609 9727 8186 7273 6784 5005 4990 2949 3866 4132 3890 4527 8107 8541 3785 4325 3000 3751 4765 59887 61315 4505 4589 3385 14388 14048 8901 7415 3201 3438 533.3106 533.3131@6.8252 4610 30607 30119 2136 17553 533.3131 533.3163@6.802 1480 533.3163 533.3698@2.8915 5103 5794 533.3698 533.3945@1.1090001 8798 9295 3967 533.3945 533.401@1.1380556 3150 3355 3332 8731 3003 6443 4094 6033 6999 4630 3075 10951 12458 5886 6730 6074 7172 533.401 533.4185@1.097 8580 14607 10849 5384 533.4185 533.4245@1.068 14375 19110 28354 533.4245 533.6283@1.012 1611 533.6283 533.6418@1.032 533.6418 533.7012@1.04 5304 533.7012 533.7042@6.327 1254 533.7042 533.713@0.99499995 3723 7109 17192 9084 10295 1696 533.713 533.7156@0.99265623 20662 11138 20450 20968 15387 16437 11888 2192 6514 13202 6320 7764 7753 5981 9111 11295 23984 7425 22437 19077 21413 11425 2090 9122 9748 16453 18095 1909 8493 1134 15707 533.7156 533.7234@0.988 23609 533.7234 533.7299@0.99072725 6160 28017 12978 12613 17746 11218 1239 23608 22852 12802 15973 533.7299 533.7481@1.03 1124 533.7481 533.7576@1.004 8243 1534 533.7576 533.7783@1.0122501 4713 4292 1457 1839 533.7783 533.786@1.011 3269 533.786 533.7969@0.988 5473 533.7969 533.8091@1.0162001 4735 1461 2270 4391 4057 533.8091 533.8213@1.0077144 8347 4761 4670 1584 1882 2523 533.8213 533.831@1.017 4307 3452 533.831 533.8524@1.0029999 1300 4580 3030 2978 5950 2578 533.8524 533.8572@1.0065 1644 7130 533.8572 533.8716@1.0106999 3085 1472 5634 2780 5361 2623 3531 7074 10779 1562 533.8716 533.886@0.9955999 3739 15498 3554 8173 3931 533.886 533.9064@0.989 4078 9463 16470 533.9064 533.9077@0.996 4903 533.9077 533.9197@0.99911106 5035 6559 10462 12086 6200 11605 8017 1331 8394 533.9197 533.9272@1.0028334 5954 4448 8376 5292 8529 4895 533.9272 533.9473@0.9926667 2585 1715 4339 1732 4747 10556 533.9473 533.9578@1.004 1938 533.9578 533.9644@0.994875 3835 2820 8734 5602 7829 1332 4731 9277 533.9644 533.9841@0.98945445 5221 3212 4412 3917 6905 3228 2217 6897 11834 6397 11191 533.9841 533.9934@0.7031428 2669 3801 3603 2520 2789 2192 5304 5245 2270 2795 2718 11949 11028 3167 3492 3276 3413 2660 2455 4892 4732 533.9934 534.0083@0.9985 2889 1934 8251 7959 534.0083 534.0138@0.985 8496 534.0138 534.0219@1.0024999 8120 1322 534.0219 534.0285@2.0575 4269 2466 534.0285 534.03@0.9922 7970 5562 12654 5443 5460 534.03 534.0309@1.9375454 10020 5324 8484 7864 6142 5045 3517 5864 7853 7301 4603 534.0309 534.0315@1.9039999 9450 12360 12607 534.0315 534.038@1.0085 1495 2320 3171 2760 1165 8999 534.038 534.0465@0.996 11061 6429 6641 6240 1718 8278 534.0465 534.0648@0.98380005 2801 3417 3180 2513 2893 534.0648 534.0679@6.313 2681 534.0679 534.0743@0.99829996 1416 2928 5961 5257 4205 2564 2448 4249 2577 3864 534.0743 534.0858@0.9945714 2851 2889 2045 3200 7670 1744 8643 534.0858 534.1012@0.983 3119 6800 534.1012 534.1176@0.982 2840 534.1176 534.1245@0.98849994 4607 4700 3783 2536 6361 3873 534.1245 534.1281@2.7875 13413 7183 534.1281 534.1299@2.685 34304 38918 534.1299 534.1306@0.9906 2311 12405 4041 7038 4527 534.1306 534.1383@6.315 2149 534.1383 534.1529@0.98950005 3559 5901 3965 5665 534.1529 534.1705@0.99 4716 534.1705 534.1714@6.991 4918 4474 534.1714 534.1753@1.5313752 6162 5187 4055 4562 6284 5799 5509 534.1753 534.1779@0.99125 1736 4251 5668 2754 534.1779 534.2016@0.9865 4685 9246 534.2016 534.2041@0.9873333 2549 5254 9593 534.2041 534.2223@0.986 5205 534.2223 534.2286@0.9856667 3225 7048 7019 534.2286 534.2468@0.9885 2443 12893 534.2468 534.2474@1.0885 119811 5277 534.2474 C34 H34 N2 O4 58684 57265 110697 108664 59255 61562 82487 85531 96110 95739 55520 53969 173653 173075 95465 90462 37094 36103 46310 45627 69221 68054 90534 90247 184546 182509 30916 28744 48204 45236 59868 56250 97929 96336 69799 69517 320987 320977 69215 71499 79902 79343 69989 69522 50447 47828 80039 78420 50155 50012 48787 50264 68344 67862 110043 106327 56069 55245 69666 69983 62516 66901 71395 64828 51949 54871 53893 56418 45167 47016 62922 53143 148055 147025 69544 69763 42235 10624 43233 36328 31067 55811 77594 75433 105046 98942 87004 86862 5064 119456 76702 76670 534.2522 534.2547@1.0505713 3160 2768 5490 4381 5601 3523 2367 534.2547 534.2645@0.98300004 1859 3257 8552 534.2645 534.2839@0.985 5089 534.2839 534.3049@0.927 14491 21623 534.3049 534.318@6.834 6460 534.318 534.3362@7.011 4695 534.3362 534.3791@1.1805 4723 3462 534.3791 534.3899@1.1653001 4895 6348 3795 4516 4248 5065 4747 35030 37560 4046 534.3899 C23 H54 N10 S2 30199 33968 81850 39028 9582 258722 56714 166500 43050 62704 159571 174888 108617 21906 39097 57229 5101 68377 72425 51902 45357 80645 131990 82619 68510 387890 93686 13317 22864 71679 19435 22008 51122 94949 75467 84127 69462 52500 57289 306999 71773 71346 74586 171049 5370 38930 39077 69464 31196 51382 63323 134929 52201 119076 116071 32833 105609 6059 341673 76959 96460 90238 60291 39707 39178 101409 41973 124486 199827 75939 268233 82792 63323 60591 128659 185747 43543 69395 40277 41686 92403 90548 534.3953 534.3957@1.073 44668 534.3957 534.3965@4.0505 8065 3958 2799 1316 534.3965 534.3978@3.9623332 3564 6102 3289 4565 4188 2651 5509 7061 5628 4396 3836 5442 3912 2880 5196 5955 2723 3023 534.3978 C34 H59 Cl S 163456 22317 151895 86949 193220 93565 39705 26859 65019 109624 45372 57883 310805 373831 348138 320860 42807 274733 201599 265118 18241 63418 210268 257871 188477 93838 74497 140308 28346 71744 58263 47969 63970 38333 37308 262140 73147 243882 176501 342476 113085 79481 53502 81010 143551 279883 217190 73427 51040 534.3995 534.5827@6.317 2828 534.5827 534.6243@0.987 5413 534.6243 534.6321@0.9945 2375 1563 5772 4494 3842 4325 534.6321 534.6726@1.019 1747 1035 534.6726 534.6939@6.317 1842 1718 534.6939 534.7102@0.99337494 3397 9715 8398 3147 8683 3743 5045 3737 534.7102 534.7115@0.9924167 2979 7550 7584 4784 15456 6633 2701 2531 7365 15083 8479 6705 534.7115 534.7251@0.995 4430 534.7251 534.7368@0.9903333 3847 5308 2456 534.7368 534.7486@0.99500006 4490 2751 5021 534.7486 534.7584@0.9929999 1738 4509 4655 1659 2577 534.7584 534.7703@0.99212503 2765 4440 2061 3154 3969 2776 5387 3171 534.7703 534.7731@0.982 2358 5042 534.7731 534.7898@0.98971426 7731 3339 2456 4265 2831 4135 4258 534.7898 534.8051@1.0023333 5410 5984 3655 534.8051 534.8179@6.2323337 2985 2673 2009 534.8179 534.8334@0.9892222 4992 2272 7720 1891 2145 6402 3518 10977 7862 534.8334 534.8383@0.99125004 6782 6984 6684 2219 1523 5428 4219 3378 534.8383 534.8522@1.0035 2317 9268 534.8522 534.8595@0.9924 5036 5143 7661 7791 5027 534.8595 534.8739@0.99366665 4979 1925 5180 2542 2898 7520 534.8739 534.8955@0.994375 5634 2743 7091 4219 2034 1132 6581 9531 534.8955 534.8981@0.9834286 2820 4541 5898 4143 5660 7438 534.8981 534.9142@0.987625 7935 3318 3265 4164 7108 6493 5940 9329 534.9142 534.9218@0.99799997 2379 2495 2339 3140 1461 534.9218 534.9364@0.989 6608 534.9364 534.9439@0.98800004 2721 10022 5481 8548 3398 534.9439 534.9582@0.99249995 2995 3428 534.9582 534.9708@0.996 1307 2990 8613 5391 6055 534.9708 534.9988@0.9887999 7721 5114 6531 4225 8383 3787 2388 4669 3128 5947 534.9988 535.0113@0.987 3698 4428 3635 1655 5166 535.0113 535.0265@0.99375 2997 6953 2055 2481 535.0265 535.0353@0.987 5569 535.0353 535.0468@1.0125 2412 535.0468 C26 H30 Cl N O9 10459 7476 13509 17970 13160 12529 12187 15256 15786 27219 24594 22828 21036 32590 32350 31448 28757 22512 16802 17231 21469 20232 20147 20035 30877 31309 32512 12431 14011 13378 15250 15763 18945 17981 20313 20873 27928 26833 24729 23828 26723 26494 29864 29050 32016 32764 28574 25562 25344 25886 24659 23443 24438 25494 16368 15465 15933 20329 20302 33713 30179 22405 17171 15320 30183 27207 31505 31184 26927 20402 27157 27269 31469 71134 82328 36564 39767 62334 61066 59516 57781 47040 45690 535.1618 535.1663@1.5205 7352 7320 535.1663 535.2649@1.097 7451 535.2649 535.3104@0.989 4009 535.3104 535.3332@6.7657995 3651 5520 7109 6578 6209 535.3332 535.3621@5.2868752 3808 7885 4034 2929 3230 4647 2986 3579 535.3621 535.3637@1.169 3486 3307 535.3637 C33 H55 Cl2 N 3878 8219 7513 3490 4208 9271 7256 7138 5491 10052 8703 6064 7786 3832 4577 4627 3585 4115 4434 3258 2432 4639 5196 6152 5346 5081 5168 6066 6259 6087 4925 6286 5496 6348 6725 6298 3851 9401 4962 5734 5098 5052 9739 6692 4054 6099 2628 4147 5436 5358 5701 5686 4877 5653 4956 4177 4213 6927 6196 7536 7743 4482 3947 3640 3809 6169 5508 8133 8403 3558 535.3666 535.3849@4.176545 8263 7602 8261 10130 10113 6077 8139 9170 6205 11115 8124 535.3849 535.3998@6.4895 4090 4770 535.3998 535.4017@1.1226667 2199 12832 27267 535.4017 535.4043@1.0888333 47524 12298 9399 8476 19497 3973 535.4043 535.4172@1.0595499 16584 3437 26752 16305 8763 4006 12109 10677 7867 7917 13628 32208 8836 13156 12767 16160 20013 10575 15982 22027 535.4172 535.4331@1.029 3882 535.4331 535.599@0.981 1107 535.599 535.6137@0.991 2324 2107 535.6137 535.6275@0.987 3236 535.6275 535.6404@0.99399996 2254 4217 2536 1831 535.6404 535.6465@0.99 2436 2809 4180 535.6465 535.6674@0.9885 2897 1528 535.6674 535.6826@0.99266666 2537 3306 2983 535.6826 535.6947@5.28725 3857 3428 2557 2749 535.6947 535.6947@0.9893334 2155 2486 3451 535.6947 535.7158@0.9875 1851 3815 535.7158 535.7277@0.98800004 2129 2307 535.7277 535.736@0.98333335 3546 3672 1729 535.736 535.7435@0.9915 2461 1766 535.7435 535.757@0.994 2532 535.757 535.7709@0.985 2274 3039 535.7709 535.7925@0.9885 2524 4858 535.7925 535.8024@0.99300003 4230 1759 535.8024 535.8192@0.9895 1934 3143 535.8192 535.831@0.9884286 3178 1873 2721 1316 1449 2096 2664 535.831 535.8441@0.99 3098 1265 535.8441 535.8623@0.985 3002 2985 535.8623 535.8857@4.1685 7045 6827 535.8857 535.8865@0.99 2453 535.8865 535.9009@0.98933333 2997 2060 535.9009 535.9133@0.986 2363 535.9133 535.9283@0.99 2756 535.9283 535.953@0.9855 2268 2293 535.953 535.9957@0.987 2467 535.9957 536.0095@0.99300003 2092 2199 536.0095 536.0207@0.9905 2583 536.0207 536.0303@0.997 1901 536.0303 536.0398@0.985 2420 536.0398 536.049@0.9885 2309 1875 536.049 536.112@1.4293332 9514 8696 10383 536.112 536.1261@0.82387495 15423 15234 15514 14144 29122 26176 9245 9568 536.1261 536.1651@0.98950005 3948 5470 536.1651 536.2781@1.115 3658 6212 4595 2913 2672 3244 4174 5194 4583 3824 536.2781 536.3862@1.2413334 4580 3755 7376 536.3862 536.3887@1.02 378877 383277 369351 536.3887 C21 H52 N12 S2 5592 2611 3103 6437 7132 5157 4665 4083 6017 8951 8276 12502 11879 4966 3881 5766 6122 6793 5848 15243 15265 8387 7582 8947 6879 7502 5520 5891 6498 6237 5623 4617 13855 12369 4280 4512 8921 10603 7100 7892 4977 4598 7437 7538 10814 10506 12689 19497 19670 7823 2176 7422 8942 536.3906 536.3924@0.9779091 92103 176778 132255 169953 131514 134713 177060 270759 161994 247788 259421 536.3924 C28 H56 O9 61650 2721 55975 107893 103101 116949 60101 63343 47627 191937 282146 147007 293986 298505 114456 198798 343873 503359 116705 417764 213821 214926 87434 91855 72040 8372 88636 108327 180568 164274 138825 318311 248445 177222 174529 315509 531473 160303 162032 391154 390482 222844 302024 313431 147875 321294 346842 200208 202976 89243 96132 104157 99695 218099 328361 91901 101138 425366 160279 356974 360552 264192 321328 178833 206758 164555 329179 385290 333275 234772 135600 136455 285945 164962 163554 536.3933 536.399@1.145 5656 536.399 536.4054@1.124054 7158 29635 6814 6725 5026 133268 6111 9997 63515 18313 11043 11161 8275 5005 47722 5985 7220 51370 12403 13474 9256 9482 7466 6655 8928 14392 7549 8888 119398 6762 8200 11931 9627 12701 6899 10800 536.4054 536.4094@1.0964707 117968 8613 59430 119297 138985 14961 98796 92610 8446 7327 70104 123427 87465 104687 18306 105821 72856 536.4094 536.5274@1.123 9180 8678 536.5274 536.6557@0.989 11065 536.6557 536.663@0.98886675 2669 5615 1308 5006 5944 5205 5863 6337 3472 1988 4326 4445 9577 6006 4654 2527 8344 5136 4248 6875 6388 7038 4569 6552 7813 4362 9253 3912 4677 536.663 536.6714@0.9916 2139 2784 4290 7660 6374 7527 1317 5492 1754 3092 6513 6241 8811 2380 2393 536.6714 536.6748@7.4533334 4974 5000 2650 3320 2722 2361 536.6748 536.6945@0.982 2633 536.6945 536.7158@1.0009999 1935 4336 536.7158 536.7315@0.9993333 4355 1845 5781 536.7315 536.7418@0.98399997 1606 4715 536.7418 536.7544@0.99950004 1342 1306 536.7544 536.7708@0.9944 1637 4609 3740 4147 4516 536.7708 536.7751@0.982 2126 536.7751 536.7887@0.9933001 6352 3447 2136 4170 2833 4605 3217 3978 6045 4603 536.7887 536.8156@0.9857273 2110 3490 1359 3014 3230 3267 3996 3224 6044 6561 2413 536.8156 536.8282@0.988 3057 536.8282 536.8546@0.99 1715 2272 5822 536.8546 536.872@0.99020004 1750 1893 3919 1169 3214 536.872 536.8812@0.99 4105 536.8812 536.8945@0.986 3125 536.8945 536.9038@0.987 2118 2793 536.9038 536.9373@0.991 2535 2475 2804 536.9373 536.9496@0.9875 3535 3644 536.9496 536.9631@0.98933333 1482 1279 2018 536.9631 537.0002@0.986 3267 537.0002 537.0119@7.4515 4021 4124 537.0119 537.0277@0.9835 1776 2410 537.0277 537.0567@0.99600005 2268 1736 537.0567 537.1191@1.4456667 9936 10372 8414 537.1191 537.1609@0.988 4772 13148 8546 537.1609 537.2526@1.203 3710 537.2526 537.3013@0.93649995 2699 3396 537.3013 537.3505@6.8051004 6081 4047 3157 4173 5874 10011 3039 6987 5531 6682 8002 7183 6325 7273 5835 4064 5383 9104 12030 2965 537.3505 537.3522@6.8380003 3607 2945 537.3522 C27 H59 N3 O S3 4362 3982 5870 6622 4970 5995 7492 4894 4993 5530 5364 4170 4092 3080 4154 4370 4830 8087 7246 4982 5427 4825 5522 3547 5914 6686 4600 4158 3546 5345 3563 4119 4227 3920 4084 5839 4774 6193 6083 4853 4778 2958 3545 3147 3777 5479 6773 6734 5641 5564 6473 6883 537.3837 537.3966@1.1093333 2419 3936 46989 537.3966 537.4079@1.1119334 7832 2876 3418 5021 8312 9210 3847 20839 2709 3228 30462 3483 5890 6796 19237 537.4079 537.4131@1.0683333 19960 17591 33433 33154 29899 41449 35951 29407 28383 537.4131 537.4176@6.4615 4054 3866 537.4176 537.422@1.0660001 18712 22341 31034 537.422 537.5858@0.98399997 3513 2486 537.5858 537.594@0.98966664 2483 1745 2730 537.594 537.6607@0.982 1173 537.6607 537.6986@0.9875 2091 3714 537.6986 537.7207@0.991 2200 537.7207 537.7825@0.986 3829 537.7825 537.8111@0.982 1793 3620 537.8111 537.8257@0.974 4029 537.8257 537.8342@0.993 3139 537.8342 537.899@0.983 2041 537.899 538.1103@1.497 7849 538.1103 538.1126@1.4293333 11472 6970 4339 538.1126 C32 H30 N2 S3 4585 4820 4649 4416 3799 5714 4426 6329 4092 3930 3140 3760 5118 1529 3376 3043 4700 5441 3942 4650 3494 9567 10745 6014 5886 8801 9082 7015 5991 5822 5122 538.1563 538.1655@0.9943333 2838 4312 2847 538.1655 538.1741@0.988 2542 538.1741 538.2329@1.006 2130 538.2329 538.2654@6.294 9160 538.2654 538.2665@1.2084999 70518 64322 538.2665 538.3302@3.313 3771 538.3302 538.3306@3.2651665 10096 10938 11027 7184 13202 15138 538.3306 538.3964@1.0122857 18379 8290 12772 6325 11277 12508 12688 538.3964 538.4158@1.1462 5426 2661 1917 7182 1554 538.4158 C22 H54 N10 O5 9179 13644 8733 7468 11897 7308 7483 8113 51690 51843 17189 3952 4469 7667 12153 22499 6723 17844 7873 8274 7100 6269 18930 2646 5963 6435 6000 10474 7494 6659 4309 6624 7301 12982 5590 4858 9316 8116 11846 10982 2344 7604 6876 6436 6129 6478 11758 14099 4313 99007 9379 152390 163514 90834 73599 71481 65926 79319 80380 538.4219 C32 H59 Cl N2 O2 79435 74690 104931 185484 176337 100899 100937 133447 150615 137506 118853 152737 151196 167657 127226 124846 83116 58213 170260 120073 117615 48395 63396 86086 71556 65188 205306 104381 69131 160268 143095 133900 92893 97596 77046 196995 96752 95561 89062 85612 105224 101554 138142 18041 127044 123944 103293 105188 129255 98306 114748 125650 175361 243492 152842 103876 102712 100227 137159 177691 101654 97137 87291 538.4264 538.5908@0.974 2609 538.5908 539.1702@3.126 27651 25137 539.1702 C20 H37 N13 O5 13465 12865 8698 8414 11004 10481 11682 11144 10388 10261 12150 11445 9959 10317 8235 8381 9218 8669 11942 12148 15699 14828 6819 6482 9667 8874 15228 13834 17310 17112 7672 8119 10153 11461 10747 10827 14618 14805 10498 10094 19580 18180 9669 9918 7173 6910 15346 16222 10218 10299 12746 13224 8050 8625 9967 9877 11969 11724 4926 6843 10240 9621 18917 18631 16131 16491 8483 8750 10608 11321 12570 13152 9099 8817 12998 12488 17097 17470 11877 11472 13082 12060 11571 6187 5701 16367 16781 7317 6269 9825 10651 539.3035 539.3308@7.2685003 3161 3136 539.3308 539.3612@6.647 1931 3328 2550 4331 1939 4112 3040 3418 3260 3404 2189 539.3612 C19 H49 N13 O S2 10196 9977 13517 12955 9470 7139 15050 14018 14992 16277 11485 13129 7568 9556 7631 7944 7252 7940 7953 9943 15571 13683 10233 10276 7965 6776 13816 12243 12181 12128 20657 19675 10137 9637 9645 10111 10883 10382 25538 23949 20731 19574 11331 11362 7750 7461 8828 8732 9430 10281 12784 16101 11439 12082 6386 10735 14945 10784 8779 11553 5588 5571 15021 15303 4503 6477 11855 13972 11124 11366 16256 16676 7139 6502 12820 12335 18058 15738 12603 12093 11072 11243 11738 8206 7040 15587 14352 9183 8941 10067 9920 539.3629 539.3684@3.8105001 19824 21760 539.3684 539.3966@1.012 7542 2323 2217 539.3966 539.4091@1.1745 1349 3602 539.4091 539.4182@1.1486666 3884 2507 4223 539.4182 539.4254@1.2014999 1875 2692 539.4254 539.4317@1.0964 17537 68331 46159 37356 34974 1727 29940 36107 30269 28502 29256 5002 29338 2602 36562 29447 28441 45280 44367 1691 539.4317 539.4419@1.2032223 2537 3717 8141 8014 2582 3465 15886 16775 2097 539.4419 539.4425@1.0699999 159073 170607 539.4425 540.0732@5.4336 1724 2030 2312 1725 1626 2069 2279 2837 3165 1352 540.0732 540.2488@1.0623332 10697 12449 4408 4106 3060 3264 540.2488 540.2593@4.4095 3687 3679 540.2593 540.3769@1.1115 4034 5551 540.3769 540.3853@1.209 3349 540.3853 540.3997@1.083 21330 540.3997 540.4005@1.1830001 1501 1783 540.4005 540.4165@1.1246666 4869 9493 55304 540.4165 540.4202@1.07775 54475 99582 29974 2744 540.4202 540.4384@1.0803 45255 42632 44393 44804 48770 34480 43736 40026 33055 38037 46019 39187 14853 66267 35092 37636 40267 65330 73839 12062 540.4384 541.2027@1.0405333 6503 5670 6935 7615 3080 6306 7758 5579 4611 5849 3913 3239 8148 8380 8932 541.2027 541.2097@1.04175 3975 3850 6967 4754 541.2097 541.2385@6.572 3225 2997 2497 26047 28841 541.2385 541.3109@1.5575 12415 13819 541.3109 541.3203@6.4743013 528929 438857 105111 45831 591720 588918 39918 527715 509575 519627 773145 70624 645480 786232 697348 505359 602433 599563 720918 757553 899698 900501 589597 445688 538595 616589 875509 856796 29999 591126 622461 812244 824636 647241 581262 584636 33507 607699 487116 488833 541.3203 541.321@6.513 190205 541.321 541.3686@6.0315 6959 4743 541.3686 541.3855@1.044 1993 541.3855 541.4009@1.1342499 1954 2262 1340 1654 541.4009 541.4105@1.1364286 4645 2678 2323 2198 3301 4066 2276 2424 2084 2459 3087 4190 1687 3966 541.4105 541.4185@1.209 3809 3091 541.4185 C29 H51 N9 O 5232 3971 6812 4174 5572 6098 4672 10081 4175 4660 7137 10153 4563 5205 4069 5099 6675 3035 2984 6378 6697 8794 8167 6903 7831 3757 2956 3412 4097 4038 9398 3438 8095 8398 7476 7993 7702 541.4225 541.4385@3.9425 4619 4812 541.4385 541.4391@1.0795677 3397 15870 14936 8420 6487 5055 8695 7861 10690 7259 6597 8199 6568 6055 4150 14185 4525 7638 5525 8383 4994 10826 7017 3962 11856 8653 8283 6691 13057 6696 20840 8358 11944 7026 7443 8212 541.4391 541.4396@1.0653334 11572 5855 6967 541.4396 541.4435@1.0624001 9646 12870 8305 10012 3857 541.4435 541.509@6.518 1095 541.509 541.5911@6.4739995 4240 5323 1952 4336 2232 2489 3675 3506 2469 541.5911 541.5992@6.4802365 4989 1881 3254 3626 5734 4434 3695 4471 3079 4158 4074 3659 3046 1753 4661 4318 2597 2401 3831 4227 2478 4639 4693 2689 3124 5086 6216 3972 2804 5472 4477 5497 5537 3183 3030 3210 3708 2489 2655 4212 3864 4891 4065 5581 5298 3555 5427 2633 3253 6276 4146 4218 3787 3997 2798 2883 4247 2725 4091 541.5992 541.6439@6.48 1267 541.6439 541.6518@6.46 1146 541.6518 541.6726@6.4756665 2271 1439 1846 541.6726 541.686@6.471 2696 1539 1352 2342 541.686 541.708@6.475 1778 2908 541.708 541.7222@6.476 3569 3503 2415 541.7222 541.7271@5.543719 2622 3022 1792 1680 2090 2070 2041 1901 2184 2220 2247 2170 2098 2205 2881 2870 2744 2994 2352 2106 3111 3128 1883 1930 1954 1967 2019 1936 1943 1899 1823 1899 2028 1800 2122 2125 1929 2050 1830 1716 2523 2661 1847 1936 1807 2048 2317 2033 1997 1928 1928 2058 1775 2117 2225 1462 1971 1815 2333 2254 2222 2282 2222 2384 2517 2044 2019 2173 1873 2006 2114 541.7271 541.7322@6.4804997 2120 1232 3245 2934 1322 2571 541.7322 541.737@6.483125 2062 2219 1695 2197 3758 1754 1954 1369 541.737 541.7465@6.48 4024 2162 541.7465 541.7745@6.4805 2500 2030 541.7745 541.789@6.4736667 2720 1659 2217 541.789 541.7958@6.477429 2662 2486 2487 3633 1840 3879 2594 541.7958 541.8082@6.483416 3463 2145 2559 4506 1923 1837 2553 2772 1566 2788 2227 2744 541.8082 541.827@6.477572 2821 1790 3543 1811 3663 3439 1724 541.827 541.8514@6.4813333 2900 1684 1280 541.8514 541.8606@6.473 1586 541.8606 541.8688@6.475 3191 541.8688 541.8815@6.472 2802 541.8815 541.9013@6.4745 1887 1388 2620 2924 1424 2904 541.9013 541.9136@6.4810004 2210 1650 1141 2185 3324 541.9136 541.9362@6.4839997 3017 1715 1345 541.9362 541.9482@6.478333 3072 2281 3110 541.9482 541.9692@6.4820004 1761 1176 541.9692 541.9939@6.479666 2801 2839 2097 541.9939 542.0059@6.479 2222 1179 542.0059 542.0389@6.476 1914 2198 542.0389 542.0762@6.474 1379 542.0762 542.0923@6.4765 2243 1802 542.0923 542.2526@0.94 1495 542.2526 542.3539@1.1382222 3014 2592 15339 4636 5372 2210 6079 6986 9694 542.3539 542.3653@1.14 22782 542.3653 542.3709@1.1296363 2108 2596 3799 2065 2854 3693 3745 3395 8937 3514 3755 542.3709 542.3852@1.1245 2145 2944 6389 3327 542.3852 542.4023@1.098125 3191 4356 3577 3596 3605 3952 2307 3697 542.4023 C32 H60 Cl2 N2 31013 13670 21674 51796 30657 2362 35744 45768 47583 23445 21322 42370 44951 31911 31897 22734 50938 29654 37241 36393 26906 33508 34879 25260 23963 29140 28983 32328 26427 27237 40056 36381 38161 27384 31200 29760 23016 24788 32317 70194 24350 33258 35165 71262 74201 35977 18910 9719 33161 33720 34322 33554 4368 42516 26223 30090 26675 29148 31224 17616 55590 57289 22531 17778 542.4083 542.4149@1.06025 33468 36057 37213 73147 43762 27423 34842 44299 542.4149 542.4227@1.0580769 31473 33776 19997 43384 42404 5412 40462 33190 32567 42941 37819 19219 56132 542.4227 542.4337@1.025 1736 542.4337 C30 H62 N4 S2 25006 24168 19687 19759 26410 25497 31145 29631 25495 19748 42871 7032 31440 23663 32855 7096 9668 38343 42543 44168 36149 9794 32846 41515 38394 41920 26545 22631 25470 24839 27178 24011 23737 22106 27064 27790 37747 39390 5422 18941 31339 30997 7147 34564 53459 52774 29820 38402 23336 32282 26883 22920 33964 32277 22822 25097 26503 26911 26454 24696 48003 45624 20578 20338 4436 5202 38945 39090 8846 50986 28037 34793 23804 27848 23165 47359 26766 30422 31809 30317 41876 41233 26251 26716 8849 33703 542.4412 542.4424@1.048 30034 542.4424 542.4568@1.03075 3863 2007 2848 1707 542.4568 542.5205@6.4809995 1559 1461 2152 542.5205 542.5958@6.468 2595 542.5958 542.6037@6.4779997 2598 1385 542.6037 542.6232@6.477 1144 542.6232 542.6416@6.477333 2668 1643 1894 542.6416 542.66@6.485 1487 542.66 542.6831@6.4709997 2301 1495 542.6831 542.8058@6.474 1326 542.8058 543.3338@6.483 53010 543.3338 C20 H50 Cl N11 S2 87123 147124 72426 71284 117810 67356 94009 94003 129347 197342 67359 69142 39124 38671 79862 64310 109042 158261 71911 55832 135628 198531 63443 101950 51786 42086 58245 127475 148995 148515 76355 119453 53154 98506 129161 128685 18562 14919 86593 136884 111319 76646 81547 82070 86334 46848 124734 196114 123021 70388 95548 97485 61057 96716 52983 81661 145087 84847 35965 74391 141543 154789 73434 71995 139925 142603 62684 61188 129850 55290 143791 238891 56304 50846 91753 144974 168188 103363 225525 143736 47984 59773 59869 64686 63074 88033 85283 135930 132741 85649 91998 543.3368 C20 H42 Cl N15 O 2362405 2393871 2242863 2295836 1986737 1993655 1370632 2167410 2807494 2812945 2353087 2500205 1868008 1155570 1486627 1537883 2488383 2513600 2112347 2013364 2898519 2846270 1559991 1284268 1122379 1588446 2059409 2103625 3368344 3365980 2244515 2211302 1848142 1858224 2447590 2419833 1092706 952421 3041551 3115818 1211945 2089352 2128511 2243743 1754337 1609756 3007146 2950722 2380461 2359790 1936360 1345175 2015523 2051466 1698119 1698951 2872731 2937426 1994413 1856487 2465778 2417824 2325635 2366940 2808773 2700831 2323056 2358652 2193858 2084664 3827972 3939032 1073744 1073140 2394750 2402428 3907241 3867958 3051514 3097608 2368858 2360570 2336582 1989090 1927271 1956206 1934517 3787001 3775646 1850094 1829921 543.3382 543.3655@1.2030001 4278 3980 543.3655 543.3805@1.1977693 11502 11804 4913 5106 2009 1945 2175 3274 2312 3983 8848 2740 4644 543.3805 543.3836@6.04 3466 543.3836 543.384@1.1275 5475 5745 543.384 543.4071@1.096 5296 3208 543.4071 543.4109@1.068 4223 5775 4337 543.4109 543.4302@1.0657499 6147 7577 8269 8821 543.4302 543.5272@6.48 1417 543.5272 543.6173@6.4372 2920 5216 11201 3386 2646 543.6173 543.6798@6.4615 1663 1362 543.6798 543.6949@6.458 2301 543.6949 543.711@6.448 2330 543.711 543.7233@6.4655 1576 2749 543.7233 543.7375@6.4536667 2019 1388 4219 543.7375 543.7467@6.462 2745 5836 3855 1500 543.7467 543.7545@6.421 7956 4406 2048 6828 6256 6006 543.7545 543.7559@6.448 2245 543.7559 543.7727@6.451 1379 543.7727 543.7953@6.462 1603 543.7953 543.8137@5.162687 1767 2183 2708 4795 4610 3778 3249 3084 3546 2298 2383 3622 3480 2245 3001 3169 543.8137 543.8155@6.433285 4812 4044 8574 3090 2390 9259 8836 543.8155 543.823@6.4347997 9196 7459 9939 6101 2344 3622 14344 3875 5555 2536 7580 6703 7060 23969 6494 543.823 543.8373@6.432 4566 543.8373 543.8731@6.435 4998 543.8731 543.8832@6.42925 2557 4056 2924 4649 543.8832 543.9012@6.463 3061 543.9012 543.913@6.4440002 1462 4714 543.913 543.9322@6.427 4536 4450 543.9322 543.9416@6.423 5722 543.9416 543.9572@6.4358335 4538 2706 4260 2302 4071 1479 543.9572 543.9612@6.446 2185 543.9612 543.9743@6.414 1251 543.9743 543.9819@6.4385 1592 10107 543.9819 543.9911@6.4285007 5096 1895 3596 1838 2199 7997 543.9911 544.008@6.4227996 2738 5126 2989 3667 3421 544.008 544.0162@6.46 1236 544.0162 544.027@6.4266663 4287 6588 1615 544.027 544.0343@6.4362 6223 4820 2224 4025 11277 544.0343 544.0454@6.4350004 4443 8547 1533 4631 544.0454 544.058@6.428 2552 544.058 544.0702@6.425 6548 544.0702 544.078@6.417 1511 544.078 544.0826@6.430111 1757 3855 2008 3614 1696 4167 5105 1641 3405 544.0826 544.0998@6.4329996 4999 2750 4605 4221 7048 544.0998 544.1099@6.419 6878 544.1099 544.1213@6.4305716 2718 3072 8999 9303 4812 1334 3016 544.1213 544.1469@6.4336667 3363 2481 3599 544.1469 544.1518@6.4434996 2340 3133 1162 1423 1463 2642 4719 3893 1256 1903 544.1518 544.1676@6.458 1371 544.1676 544.1778@6.43 1962 544.1778 544.2445@1.0355 3741 3785 544.2445 544.3168@5.15775 2815 2045 2193 1522 544.3168 544.3378@6.511 6356 544.3378 544.3382@1.168 4525 544.3382 544.3475@1.1543571 3352 3157 3724 5279 3106 4766 3730 6011 3671 6587 10998 3627 7535 2768 544.3475 1alpha-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23,24,25,26,27-pentanorvitamin D3 / 1alpha 5131 4892 3105 15156 4041 5459 8311 14234 8895 3635 4975 3604 5283 7527 1955 5364 5701 18659 2382 13779 9950 4176 27034 3226 3873 5983 16563 3413 3832 3562 4558 4038 6204 3614 4376 13273 4769 16832 4119 3739 6344 3337 4056 3740 LMST03020590 544.3533 544.366@1.0433 5826 6094 2231 1920 4843 2905 2685 2316 2317 2045 3250 3467 3893 4078 4990 4459 4685 4996 6309 12337 544.366 544.3778@1.0055001 2215 2621 544.3778 544.4074@1.066 38377 544.4074 544.4251@1.0562143 44663 125591 15050 8922 6350 55784 53208 39810 103127 63417 52007 125042 45552 14675 544.4251 544.4304@1.044 72609 1330 1392 73017 120518 544.4304 544.5268@6.459 1226 544.5268 544.5323@6.449 1080 1874 544.5323 544.6158@6.4272003 1549 3635 3585 4691 3236 4752 1993 6690 5932 9049 3979 4368 3719 4080 7393 4354 5047 4596 4520 4255 3047 2903 7436 3486 3013 544.6158 544.6218@6.43175 4101 3835 1923 1619 1538 2558 3292 4605 8656 2016 4617 4249 4983 3200 4198 1487 4067 5532 5726 11573 4435 12836 9289 5412 544.6218 544.6257@6.424 3594 544.6257 544.6607@6.441 1965 544.6607 544.6695@6.425667 1491 1200 2882 544.6695 544.6804@6.459 1707 544.6804 544.6837@6.4502497 1256 2855 1946 1204 544.6837 544.6957@6.424714 2164 2297 4303 2544 1988 2306 2731 544.6957 544.7103@6.427 2268 544.7103 544.7183@6.435 3228 1611 4472 544.7183 544.7335@6.429 3159 2477 544.7335 544.7444@6.42875 2524 2243 2131 4571 544.7444 544.7492@6.4345 3075 1155 1856 1827 3252 1858 2064 1895 544.7492 544.7661@6.437 3445 544.7661 544.7812@6.4195004 1906 3006 544.7812 544.8147@6.4257503 3480 1261 4063 1902 544.8147 544.8152@6.428 2868 544.8152 544.8288@6.4313884 3458 4600 5036 1342 5649 4550 5786 3943 4545 3161 3167 6942 7825 5089 2885 3190 6948 3941 544.8288 544.8336@6.4311657 4201 5025 3290 4077 2184 3637 4806 2518 3418 3972 2754 5727 4754 2508 3251 1582 4200 3856 3392 3428 2333 3638 3086 3465 544.8336 544.8518@6.431167 3985 2115 2989 2815 3678 1828 544.8518 544.8566@6.418 1999 544.8566 544.8652@6.456 1046 544.8652 544.8814@6.419333 2986 2889 3144 544.8814 544.8881@6.438333 1961 1180 1232 544.8881 544.9086@6.4196663 2687 1056 4902 544.9086 544.9195@6.4205 1243 1964 544.9195 544.9274@6.425 1671 1595 544.9274 544.9402@6.4293747 1713 1608 1825 3061 2546 1729 1104 2394 544.9402 544.9501@6.4241996 3428 2002 3004 6024 1910 544.9501 544.9669@6.4255 2452 1830 544.9669 544.974@6.435167 2705 1867 2020 3106 1536 2876 544.974 544.9981@6.4383335 1352 2671 2232 544.9981 545.0061@6.4335003 2645 1510 545.0061 545.0141@6.4375 2630 1560 545.0141 545.025@6.421 1876 1970 545.025 545.0406@6.4262 1272 2132 1758 2319 1964 545.0406 545.0491@6.417 1940 545.0491 545.0622@6.42725 2182 2042 2227 3056 545.0622 545.0732@6.4289994 2350 2055 2829 545.0732 545.0895@6.425 1900 1817 545.0895 545.0994@6.4300003 1924 3314 545.0994 545.1086@6.4353333 2391 1904 2351 545.1086 545.1512@3.488 5221 5271 545.1512 545.16@6.449 1222 545.16 545.2508@3.8401818 7879 6587 10043 10741 8107 8546 7622 7723 5834 6064 5144 545.2508 545.349@1.1235 5556 4700 4709 4412 3730 1706 545.349 545.3505@6.4628 58627 47941 39486 32485 37436 545.3505 545.3627@1.128375 3920 3923 2840 3658 3644 3117 4249 2971 545.3627 C19 H44 Cl N17 12382 12137 3924 4353 2313 1864 20145 20815 44960 45716 6361 6361 17514 17766 18137 18202 5813 6426 8573 9097 2217 2896 4136 5082 13994 13980 13150 11600 10059 11091 19491 20850 9637 11192 2345 2631 4802 6072 545.3653 545.3659@5.2957497 10771 10962 5885 5919 4843 5175 8770 7998 4244 4207 4685 4173 545.3659 545.3725@1.1200001 5237 2617 4351 4780 4515 3824 3663 2812 5466 4634 545.3725 C25 H51 N7 O4 S 11018 11663 6003 6350 31055 30200 6475 6716 11797 15906 11536 12127 7162 5149 12488 13525 46328 47533 142240 141594 10776 14969 43064 40331 29620 29323 56310 52509 8775 7581 26016 25385 27725 25636 14161 5776 25534 26682 14537 15630 22099 22897 52460 50446 13837 11380 4664 7385 11561 19917 13350 12999 12568 5321 60024 60181 11367 11713 13924 14147 9436 9260 9440 14610 15939 13683 2796 28890 27846 11912 12963 13401 5968 16860 11671 17495 18677 11133 11615 545.3725 545.3729@4.0309997 8062 8047 10390 10227 8122 4845 4176 3479 545.3729 545.3944@1.0580001 2868 4571 545.3944 C30 H59 N O3 S2 13805 12274 10733 10605 19205 19410 9354 10523 12848 13620 6425 6006 10989 14789 92580 92225 12044 10478 22506 20752 21942 22855 44851 46397 11329 12050 13252 14757 8441 8476 13260 10735 15168 13321 23739 21218 5783 8189 19154 19915 26159 24802 7312 8322 10341 9106 50383 50425 9077 8975 7626 9824 38804 36481 10365 6501 14628 13637 8901 9862 9629 11648 12611 14177 6944 8528 9450 9010 7780 9252 8829 5434 7830 9471 8167 7749 12711 10360 8096 8221 545.3956 C27 H55 N5 O4 S 107294 106445 88702 91546 170387 169624 92726 92361 122457 124695 48274 47966 58128 57454 38105 39665 121600 120765 940889 937839 104034 100441 185922 182950 185417 185312 400750 397422 34414 34545 91024 93408 135814 136314 70087 69286 117748 118306 115986 118643 212596 210923 54813 57868 170555 175210 218680 219848 70135 68182 84810 83102 470729 475310 79610 78722 73122 75398 325568 324268 75383 73968 127618 124095 74480 76778 93838 98055 105078 102072 63575 62595 68381 67245 59481 60286 43659 23184 45204 80532 83519 46329 47555 47033 65546 66294 64499 63399 104788 101307 70311 69570 545.3971 545.4096@1.05275 7546 13141 8030 6504 545.4096 545.4286@1.0541176 4098 9871 6981 6911 8540 9825 3624 6346 8177 4683 6548 6282 5770 5977 5462 7295 4950 7856 8047 6701 8730 3463 4558 7461 6326 7788 7444 9652 10688 10258 3228 4566 5769 4468 545.4286 545.4325@1.037889 6301 11007 8442 5948 4122 7835 7468 6676 9984 545.4325 545.4478@0.9862499 2613 11646 11570 26611 22107 17297 27502 10210 17658 22689 6865 36611 545.4478 545.544@6.453 1879 545.544 545.6204@6.42575 5514 4751 3421 4598 545.6204 545.6264@6.42334 6089 7610 6472 5507 9917 6439 6195 7078 6328 7259 7512 9425 8887 2539 3457 5191 9284 7326 5238 6611 3093 8513 5539 7473 2469 5768 6411 6977 2170 4830 5214 4489 7252 3560 7196 4391 9202 5752 6601 8610 7315 5556 6067 6521 9901 7771 9950 5599 6292 3547 545.6264 545.6564@6.419 3773 545.6564 545.6686@6.431 1241 545.6686 545.6707@1.2005 3445 1333 545.6707 545.6799@6.4414997 1653 1201 545.6799 545.6944@6.435 1514 2061 1149 545.6944 545.6989@5.418062 8686 8699 2614 3034 15708 14392 33397 33775 3965 3826 12972 10011 13997 12028 3998 4235 5443 5778 2996 3070 8976 11192 7726 9187 6444 6675 12712 15094 6037 5760 3046 2810 545.6989 545.6994@5.296636 6442 6665 4770 4711 3217 3570 5609 5627 2653 2863 2642 545.6994 545.7034@6.44125 1388 2556 1438 1939 545.7034 545.7199@6.4329996 1448 3602 545.7199 545.7309@6.4425 2171 1365 545.7309 545.7428@6.424 3438 545.7428 545.7515@6.4269996 3716 2331 2934 2913 1233 545.7515 545.7659@6.4225 3139 2874 3874 1284 3396 1458 545.7659 545.7759@6.425667 3003 3228 5275 1773 5089 2055 545.7759 545.7946@6.426 4429 545.7946 545.8155@6.427 1108 2158 545.8155 545.8359@6.4204288 5137 5951 4890 5230 6033 6985 4712 545.8359 C29 Cl2 O2 S3 3479 5690 2711 6968 7037 4540 6909 1880 3606 4470 7471 3286 1708 5218 4473 4312 7820 2451 2695 5124 4050 1522 9156 7816 7373 4146 4000 3519 3355 3293 4782 4923 4669 7816 4369 5277 4997 7924 5911 3911 4429 4121 7483 3861 3944 4411 545.8461 545.8605@6.4234285 4222 7027 4875 3070 6251 2560 3400 545.8605 545.8687@6.42 4318 545.8687 545.8739@4.128333 4491 5099 1865 545.8739 C15 H8 Cl2 O14 S2 5361 5355 14539 16834 8004 7746 7794 4519 6647 6523 22793 22843 77250 75251 5661 6092 21828 21474 14960 14996 30880 29896 12158 12144 12423 13506 8174 2948 13587 13152 9903 7570 9211 9978 26890 26787 7610 5803 9777 10759 5054 5883 6444 5492 30778 27385 5744 5361 6046 3303 6578 6769 7939 8005 7130 13751 14370 5777 7215 5587 8347 6162 9234 8421 545.874 545.8776@1.2030001 2615 1624 545.8776 545.8787@6.4379997 1199 3294 545.8787 545.894@6.415 2688 545.894 545.9015@6.432667 1339 4730 3296 545.9015 545.9177@6.425 2162 3421 545.9177 545.9295@6.4323335 1772 2585 3190 545.9295 545.9397@6.4254007 1448 4399 2874 2108 1315 545.9397 545.9487@6.416 2131 545.9487 545.9568@6.42 3712 545.9568 545.9586@6.4243336 2110 1906 2779 545.9586 545.9643@1.202 4477 545.9643 545.9797@6.425 3184 2485 3326 2132 4468 545.9797 545.9941@6.4255996 1755 4209 2655 2605 2583 545.9941 546.0027@6.422333 2010 2499 3320 2109 2307 2846 546.0027 546.0199@6.4252 1340 3213 2722 2275 3780 546.0199 546.0309@6.4163337 1911 1639 3776 546.0309 546.0322@5.29475 3525 4123 3006 2792 546.0322 546.034@5.41776 3955 4069 7235 6569 14529 14057 1973 1905 4774 5480 5715 5834 2097 3333 3058 6237 4469 4408 3812 2703 2849 5434 5715 2950 2704 546.034 546.0349@1.202 2741 546.0349 546.0397@6.4208 3551 1680 2920 1496 4842 546.0397 546.0523@6.425182 2258 2311 4350 2066 2768 2740 2294 3417 2296 4082 1826 546.0523 546.0715@6.4283333 2753 2648 1350 546.0715 546.0794@6.431 4237 546.0794 546.094@6.432 2035 1570 1324 1903 546.094 546.0982@6.4245 1916 2675 546.0982 546.1075@6.42975 3086 1940 2181 3239 546.1075 546.1137@6.430333 2379 1953 1827 2614 3799 1397 1951 2735 2618 546.1137 546.1301@6.419667 2032 3365 6243 546.1301 546.148@6.4238 1539 1925 1974 3483 1516 546.148 546.1575@1.0541538 4744 5956 5481 3445 3956 4332 4314 4326 4149 3720 3886 4856 4901 546.1575 546.1578@6.42775 2639 3520 3218 5248 546.1578 546.1712@6.4269996 1724 1184 4777 1225 1427 546.1712 546.1896@6.4145 3941 1952 546.1896 546.2057@6.4235 3300 4704 546.2057 C34 H30 N2 O5 27233 26946 27388 27806 16982 16458 9728 10655 17297 18588 16062 15569 26272 26465 19338 14128 14095 13109 15812 15759 17078 16206 5405 5262 25098 26284 11176 11447 13234 13095 22804 21972 19069 17440 12712 12117 15201 15220 34113 33783 14813 13335 7162 7149 23075 23589 21730 22917 25329 26517 29117 28645 15008 15176 22205 21468 21405 21249 21302 23099 28041 22091 38371 37749 7281 11637 22563 21831 24165 24081 11686 11664 15480 15976 13562 14352 22159 2056 23088 31118 32075 28577 23127 22888 25390 26714 11181 11933 9628 9113 23986 23956 546.215 546.2336@2.9215002 21344 23760 546.2336 546.2705@1.031 10709 11850 4574 5567 546.2705 546.3306@4.642 10551 7311 546.3306 546.3425@1.663 4265 4726 546.3425 546.3533@6.4615 64995 7233 2183 9225 546.3533 C31 H51 Cl N4 O2 6049 10592 6041 4574 18438 6013 8365 3740 5287 9106 7065 7989 2639 9320 7988 4552 3730 6837 5617 6696 2232 5258 5116 6987 4238 11373 8296 15385 7181 2394 17810 7843 7334 3503 5164 44970 7124 7207 5682 3997 13961 5894 4409 546.3664 546.3752@1.143625 3708 35052 10236 18772 10377 4565 23836 68114 546.3752 546.3831@1.089 5219 3123 3966 12841 546.3831 546.3845@1.248 1686 546.3845 546.4148@0.985 3410 546.4148 546.4311@0.98730767 4658 4442 3539 51013 5635 3653 4108 3154 3614 3701 5070 4745 5666 3098 4418 5835 4349 4568 2851 4057 3847 5293 4128 4493 3342 6874 546.4311 546.4324@0.98475003 3150 2649 4160 6129 546.4324 C33 H64 Cl2 O 44455 97480 53798 2967 55943 55069 72763 75483 77891 76035 25020 25206 118516 118598 61459 59476 30320 34263 32213 66108 57161 63618 64265 67456 40313 46069 42704 30401 30587 47614 45937 53316 3819 32244 75564 72025 56060 56976 45027 47803 36354 38696 15147 15715 64731 80514 4407 64717 69193 3849 47078 62813 62170 56855 95421 95972 96408 46931 47280 50231 47136 73673 27201 61017 47425 44476 46500 42990 37963 59525 57445 4326 29911 33276 546.4327 546.5116@1.155 3332 546.5116 546.5499@6.4264 3170 1681 4665 2572 1958 546.5499 546.6245@6.414 1270 546.6245 546.6358@6.424 3935 1648 2501 1307 3070 546.6358 546.6491@6.4243336 2479 2903 2144 3243 2912 2387 546.6491 546.6671@6.4172497 3346 2206 2662 3672 546.6671 546.6822@6.422 2367 1868 546.6822 546.6826@1.201 4193 546.6826 546.6952@6.4262505 2182 2467 2927 2743 546.6952 546.7205@6.422 2527 546.7205 546.7279@6.4244003 1288 2029 2217 4076 1931 546.7279 546.7549@6.417 4585 546.7549 546.7864@6.4165 2012 1977 546.7864 546.8182@6.4309998 3317 2985 546.8182 546.8297@6.4262 4008 3118 4339 3727 1339 546.8297 546.8465@6.421 3571 546.8465 546.8924@6.433 1930 546.8924 546.9006@6.415 1430 546.9006 546.9089@6.4224997 1969 3232 546.9089 546.9187@6.424 1553 546.9187 546.9413@6.419 2216 546.9413 546.9426@1.2 1869 546.9426 546.9545@6.4230003 2674 2779 3904 546.9545 546.9801@6.4309998 2662 2197 546.9801 547.011@6.423 1327 547.011 547.0176@5.425715 3423 2958 9447 10085 3772 3504 4244 5158 2281 1948 4338 6456 2216 2361 547.0176 547.0458@6.414 2209 547.0458 547.0674@1.201 1793 547.0674 547.103@6.419 1806 547.103 547.223@1.159 3903 547.223 547.29@7.07825 21162 21224 7643 7905 547.29 547.3004@1.0095 4053 3902 547.3004 547.3442@1.039 77395 80064 547.3442 547.3623@6.3379545 2476 2517 4510 4153 19350 5409 5662 3232 4859 5044 4887 4908 3007 9579 3014 6755 3294 3548 3558 5728 5978 5444 547.3623 547.3748@1.1389999 3948 3243 547.3748 547.3826@1.1248 5277 4182 4682 3672 5019 5486 3158 3421 4720 4875 6787 4052 3193 5451 3939 547.3826 547.3895@1.1002941 2451 5934 46554 45207 4461 4325 27214 25673 3891 6005 6056 4817 4883 5259 4188 4166 5323 547.3895 547.393@1.1087778 3992 2110 5494 2835 2076 2369 1939 2638 2707 547.393 547.4067@1.0 1774 547.4067 547.4295@1.050875 8285 13560 12791 10764 10204 5119 13212 13068 547.4295 547.441@1.005 3004 547.441 547.5356@6.422 1105 547.5356 548.0474@1.5805 16486 15985 548.0474 548.2828@2.012 3147 548.2828 548.2912@2.055 4893 548.2912 548.3679@1.2053332 6750 4541 548.3679 548.3711@1.21 3299 548.3711 C20 H48 N14 O2 S 9185 9299 5794 7100 14888 14885 4636 6996 22310 16314 11125 11113 8662 10151 27216 12997 21953 3767 11773 14073 17951 15124 21116 9373 17747 17409 8347 8794 10017 10284 12201 8069 38979 11447 5696 16047 20231 13895 12695 14745 10119 14882 24913 10457 28904 16055 23322 20575 30146 10651 12523 19545 18270 11432 20905 17261 10685 10250 8968 15127 15896 18248 17505 9602 10155 12073 17266 5508 548.3828 548.3911@1.1818001 4091 1731 3113 2511 4455 19927 11318 3317 3065 3451 548.3911 548.3919@3.664 6985 548.3919 548.399@1.1753334 18151 3023 2559 548.399 548.4092@4.083 9860 548.4092 548.4094@3.923862 3871 3893 3711 4929 1434 2304 4289 3765 3065 4820 2410 5295 5186 2088 3242 1612 2610 4866 5070 2365 6751 2403 3999 7069 6583 3563 2042 6793 7468 548.4094 C23 H52 N10 O5 6405 4159 3437 6339 4352 4527 4348 5393 7938 5009 2937 4962 4376 5003 4002 3738 3616 3275 5727 5594 8528 7203 7476 5299 2931 5827 7436 5135 4415 5347 4556 3936 6988 2538 4989 4171 3448 6014 8802 3841 10527 9084 8019 5634 6109 5471 5763 7737 4443 5399 3663 4740 4161 4416 7229 6957 5012 6419 9257 3311 4531 7756 6852 4445 7217 6839 3981 4617 4136 4751 3764 2553 4963 548.4128 C26 H57 Cl N8 S 5192 7990 3072 5354 4952 4148 5329 7007 10968 13008 6664 6174 6621 9034 5917 9600 8357 10038 7809 5236 8071 7379 3330 7078 5420 7518 3346 7789 7035 7087 8397 8201 6918 8585 8625 8461 6687 9414 9953 4807 6676 9922 5289 7611 5461 3293 4727 10623 11250 9102 9851 11565 7885 14868 7698 7928 6646 2932 5506 7898 3199 9457 548.4135 C24 H48 N14 O 6756 1984 6421 3042 8077 5607 3207 3637 5109 5506 2654 7472 3883 7009 5991 5823 6584 5450 1762 4169 5337 7390 8197 8575 6656 3392 10303 2675 6806 9284 9552 9414 5470 5767 4697 5163 9678 5121 4967 8429 5616 2030 20546 3104 5346 8391 8311 3899 2686 6717 3866 548.414 548.4184@4.6013336 3329 4287 3872 548.4184 548.4248@1.056 24541 26901 548.4248 548.4348@1.0555 19371 116668 114560 63034 50468 29613 46993 24357 548.4348 548.442@1.0537144 58915 51170 18735 49855 21297 21055 60345 548.442 548.5274@1.118 2300 548.5274 548.6688@5.431 3224 548.6688 548.9145@4.076 5446 548.9145 548.9154@3.9274545 1927 2886 2047 5014 2705 2283 1832 2549 1380 4438 3680 4111 4956 4392 5997 3516 7014 3337 3322 3001 2741 3865 548.9154 549.1294@5.104 9392 9769 549.1294 549.1347@4.942 4776 5207 549.1347 549.1569@5.799 2224 2421 3598 3582 1543 2519 1802 1555 1481 2175 1485 2211 549.1569 549.1598@5.809 1561 549.1598 549.1611@5.8026996 2999 3317 1952 1795 1661 1707 2105 1471 1584 1746 549.1611 549.1834@5.794 1567 549.1834 549.2147@0.9855295 8061 8208 7765 8377 9192 5561 6485 5705 5673 7447 5102 5164 9567 9239 6235 7734 4649 549.2147 549.3424@2.88275 31191 56760 14514 21371 549.3424 549.3427@2.9671998 23156 5105 7555 15112 17312 549.3427 549.3812@6.4044 3822 3555 5059 5514 2849 549.3812 C32 H55 N O4 S 24567 26431 35739 38399 30305 31013 16160 34832 35472 35366 43170 49290 33209 27156 20547 20407 38984 38403 37218 37763 39733 41851 19114 18710 26376 29220 33141 33747 54471 53238 30069 29863 26955 29694 20012 38526 16617 15496 42405 42005 45190 49804 32059 33692 30415 28967 43210 51739 29661 29233 35814 22907 27166 27226 23697 27197 42005 34747 38714 37736 33477 31724 28078 9369 38798 36341 41434 36761 29704 30814 36025 46376 18242 18168 40228 34989 62443 65140 50656 53647 27843 29200 31508 24658 26483 34626 20831 72922 60210 28585 24286 549.3842 549.386@1.1800001 4502 4779 6493 1994 2673 549.386 549.3923@1.136 4468 3194 7530 549.3923 549.4026@1.1292 3473 10854 12039 4367 3845 549.4026 549.4166@1.0756668 2510 17058 4757 549.4166 C30 H55 N5 O4 21263 20684 8418 30765 5885 5639 5488 23395 31144 14211 2605 14072 7382 34601 11980 31960 13324 6189 16307 14254 12165 13870 19807 8675 33679 31539 29363 13417 31870 19973 10045 10319 10908 24235 17914 18404 11207 11921 11370 7410 29678 14413 14522 22484 20172 549.4275 549.4344@1.0576502 11963 14349 14103 15712 4439 13823 15652 9835 9342 9502 9649 3996 15823 13782 11314 12570 6645 10531 18920 20445 549.4344 549.4371@1.0556315 4494 20253 12507 10727 10240 9469 8898 8348 5605 6008 12727 11447 18354 16403 16202 8572 5325 8940 20962 549.4371 549.6238@1.643 7729 549.6238 C38 H79 N 5546 6048 5008 7487 6423 5156 5174 5795 6110 6918 5002 5623 5742 5723 8107 3269 6114 6776 5941 6053 4974 4851 6878 4303 6978 6947 5412 5260 4908 6789 5937 5245 5513 5222 5318 5831 6687 6618 6558 4639 7129 5458 4944 4728 6254 5579 5296 6370 5329 6153 5286 7450 8511 7542 5442 5553 6482 5714 5389 34189 34748 6870 6854 549.6255 550.0357@5.393 5163 4633 2692 2331 2498 2658 3054 550.0357 550.1321@1.7459999 2016 2587 3086 550.1321 550.175@1.417 5783 5083 5143 550.175 550.2087@5.1773334 1888 1982 1516 550.2087 550.2149@0.987 2157 550.2149 550.2993@0.9397501 4457 4120 9027 8342 9455 9425 9775 10618 550.2993 550.3446@2.892 9227 550.3446 C37 H46 N2 O2 4505 4844 3812 5733 4408 4454 2669 4876 3714 9948 12181 2909 3425 8689 8105 11082 9588 1972 3791 3541 2987 2925 1961 3359 4667 4811 4555 5230 4021 6480 2189 5543 5088 5040 5087 1292 3603 3419 3676 3900 1721 2738 550.3534 550.3653@1.199 3249 550.3653 550.3698@5.394833 4229 3915 2328 2670 2601 2603 550.3698 550.3818@1.165 1282 550.3818 550.3858@1.132 9342 1798 4496 7567 13212 550.3858 550.3892@4.27225 4640 3765 6385 5801 550.3892 C26 H56 Cl2 N8 1308 8393 14899 13033 15372 8579 21308 21558 31882 12924 15905 16584 37855 12313 12619 12805 14266 29462 34210 16556 12225 12416 20091 6728 18162 12522 26930 24384 10038 8678 15560 9573 13903 12543 15426 12962 16591 13328 9938 19684 7939 31471 20459 12963 10745 9084 14361 15941 12915 18278 550.3982 550.4079@1.107 31285 550.4079 550.4321@1.0565555 27866 16934 6973 7687 15212 8557 24426 30160 39379 56213 13325 9068 19659 18275 19190 39575 7408 42237 40336 38559 10786 12690 41092 45421 11455 9778 550.4321 550.4444@1.0514444 36695 42298 20659 44875 27062 34705 28896 22255 21790 550.4444 C35 H63 Cl O2 37938 45779 43810 35311 40048 51946 35201 28830 29826 51923 50966 67429 52666 12156 7904 16434 48142 47696 52466 8987 6005 18666 35960 27357 16205 21878 24911 29876 14562 55080 28717 36350 27188 6555 16026 18452 36670 30479 49378 47124 81987 79329 54106 51468 15675 17830 21075 63187 76047 63830 66586 3240 34384 550.4474 550.4601@1.037 63144 550.4601 551.2767@1.1565 2792 2898 551.2767 551.3289@6.708 13493 3683 551.3289 551.3504@7.552 3923 4738 2191 2175 551.3504 551.384@1.141 2752 551.384 551.3905@1.142 2361 1756 1978 551.3905 551.397@6.353454 4661 5716 6099 8915 4472 3225 6659 6424 4641 6682 4964 551.397 551.4029@1.1317692 2848 2901 2212 3644 2414 5190 3597 2629 3603 3693 2189 2777 2052 551.4029 551.4243@1.0896666 5031 7932 8052 551.4243 C32 H61 N3 S2 14755 16604 6352 6561 15777 15246 9004 9003 2118 1982 9337 12829 8031 8785 73791 16366 14114 10802 17900 34666 6417 6880 11064 11520 7104 6070 14314 5477 12336 4860 13052 13139 8078 13622 15782 9648 9797 11230 18375 14946 9986 8551 37503 9215 8837 5637 6175 5558 18582 20043 4984 6341 6401 551.433 551.4347@1.049 7292 6633 551.4347 551.4419@4.5703335 4433 4612 3947 551.4419 551.4455@1.0417856 4326 6514 7630 7451 7437 47109 8719 9920 9586 8183 14898 18306 1259 6649 551.4455 551.455@1.027 4992 551.455 551.4592@1.0308889 2137 6524 7677 3125 1407 9628 3942 7012 1665 551.4592 551.4772@1.1975 3974 3330 551.4772 551.6849@7.5515003 3388 2920 551.6849 552.2443@7.078 4566 4114 552.2443 552.2495@1.105 10663 10927 552.2495 C29 H40 N6 O3 S 15289 10937 23839 9285 7165 11924 7123 9149 20122 45595 17150 10187 10723 48432 5754 5035 33582 30872 20097 19695 25650 26070 7447 38473 27436 25179 10725 24650 7270 11270 12058 5879 16320 20811 17515 21716 10524 11391 6755 9974 17486 17674 40428 28323 9753 9975 30285 31165 16890 15383 23953 23151 19585 10176 19348 19228 34408 35172 13416 22979 28852 9948 20920 22555 8244 23332 48622 61506 47005 34255 17689 17483 20350 13874 26846 17892 34054 35359 17934 25580 25305 14095 12632 23931 22965 10710 11629 25814 24502 552.2876 552.2904@2.334531 3838 7591 5196 25664 3037 37684 4919 8521 9267 8287 27828 7200 8517 10268 4158 4022 4284 4659 10554 12562 13206 6546 15356 22819 5842 7530 15580 15912 8093 4811 6394 552.2904 552.2916@2.3576667 3784 5668 6578 552.2916 552.3607@1.1066667 3029 3671 6144 552.3607 C29 H60 O3 S3 2646 3490 2917 3340 3675 3062 3749 3438 5526 4471 6479 5179 6433 6766 7858 5171 4939 4684 3229 6979 6689 5775 5968 5636 7309 7080 6289 7077 4100 4092 2805 1959 5128 5181 4844 3802 2740 4327 5966 5261 5662 6117 3827 4854 5290 5611 6978 7971 5879 7585 5556 4351 6824 5302 5144 5273 5399 4707 3338 3770 4250 4174 6074 6036 9468 7901 4569 3230 3418 7010 6843 7425 4427 6272 21600 6225 4917 3567 6639 7031 7305 6549 6860 7449 1722 5856 6444 7098 552.3662 552.3727@1.163 6252 4706 2579 7197 552.3727 552.3804@4.0935 9253 11019 552.3804 552.383@1.1229999 2842 6610 1649 2020 7041 2258 2101 3208 552.383 552.3864@1.0209999 3239 5138 5377 5404 4526 3928 6930 5705 4572 11122 44125 552.3864 552.4015@1.0604285 4743 15484 7298 9696 4604 4950 3904 3598 7175 9019 14952 6843 5596 5096 24855 18483 42605 39996 33770 39844 13003 25977 25865 6208 9079 19982 21573 13096 552.4015 552.4121@1.0976775 9496 37547 14231 8970 13287 10657 7709 46628 32400 5648 9477 9419 21619 12807 17456 14062 9047 17984 10522 13265 25990 19163 12317 16078 17946 17573 9318 9480 23381 20960 552.4121 552.4142@1.0977143 23127 8209 19151 6278 22193 15911 14309 552.4142 552.422@1.0538 1184 5984 9598 9216 15644 552.422 552.444@1.0450001 21358 8707 552.444 552.4489@1.0402501 8694 16504 12417 9259 552.4489 552.4698@1.0255833 2995 3454 4602 5714 2589 2123 2265 2745 6543 4025 2752 6384 552.4698 552.883@4.093 5177 4904 552.883 553.2911@2.3046668 5746 14145 8475 553.2911 553.3429@6.688 14087 553.3429 553.3672@2.9554996 5471 8152 9107 8134 7480 9676 8020 6727 7740 10472 11555 7152 553.3672 553.3691@4.234 7644 7439 553.3691 553.3714@4.191 1789 553.3714 C26 H51 N9 O2 S 12639 13367 12399 12710 13235 13128 12246 11618 13752 13853 14491 15429 14288 14688 11440 11002 13062 12933 15796 17313 7788 7684 5171 5867 10212 10044 8612 8556 9698 8740 13307 13113 13403 14984 14426 14489 11409 11531 16517 16342 13570 13278 15837 15294 9675 8587 9475 9897 8490 9069 8562 8617 8361 9165 7498 7227 8432 8961 11440 11885 15997 16228 14978 14327 12389 13618 15491 15433 16938 15857 9211 9376 7333 6844 9305 9136 8791 8623 11651 10668 9457 10454 10496 10449 9901 11847 12265 13915 12721 8284 8974 553.3904 553.3923@1.028 1925 4477 553.3923 553.4005@1.0964117 2750 2668 1545 2738 2483 2042 1923 1838 1955 2983 2105 3764 1874 1264 2484 4533 2166 553.4005 553.4087@1.1373999 2289 3476 2320 2217 1853 2651 5357 3287 2710 3328 553.4087 553.4199@1.0915 8040 12215 553.4199 C31 H59 N3 O3 S 9854 9631 8788 5420 7925 5056 13587 13304 5452 5497 5913 6570 11977 16143 9551 9448 11694 7615 18000 11887 8197 12361 7304 5977 6354 7692 7754 7538 14164 13549 6717 13680 13361 9017 11616 11998 7286 14269 13627 13603 11862 18446 21128 12997 12613 14929 6563 7105 10381 11217 14921 13546 8485 14674 13879 16066 13468 11063 9283 10869 553.4348 553.4354@1.0669999 9466 19562 553.4354 553.437@1.0646898 4761 10582 6882 12366 15702 14139 19522 17951 6507 16883 17558 37026 7788 6459 10807 7678 7486 7129 8772 10653 11890 10031 17070 27832 25235 11591 10927 26421 34338 553.437 553.4557@1.147 5769 3534 3162 553.4557 553.4715@1.013 1572 553.4715 553.4803@1.01 1288 553.4803 554.2413@6.316 3233 3141 554.2413 554.2778@1.204 3041 554.2778 554.3074@2.479 16906 15330 554.3074 C24 H50 N4 O10 15983 15500 12449 13116 17876 19826 8407 7909 15834 15444 16086 16042 9050 9168 12041 13132 35574 33608 66267 68808 16566 16859 27448 26705 27901 27383 37891 36319 12703 12591 18120 17146 21555 21974 12683 13387 21020 21151 17040 17845 23795 23317 15760 15058 23529 24643 36756 37837 17500 17975 15835 15464 24849 23387 19110 18519 17817 17680 32594 33187 14109 14016 15419 14601 11978 12049 16943 17278 11044 14076 13059 12584 11433 14279 14281 14882 13855 22909 22658 22786 14815 14530 15147 15090 16324 15958 15541 20135 19627 14110 14468 554.3523 554.3525@6.421 3582 2562 3273 4060 554.3525 554.3538@5.959 1941 554.3538 554.3737@1.1016666 4442 6710 4938 554.3737 554.3883@1.1508422 6733 5495 1890 2906 4300 4520 5238 10989 23034 20374 4239 1763 2326 3392 4680 3153 3123 1971 1452 554.3883 554.3968@1.1530001 23849 1749 6449 1921 554.3968 C27 H58 N2 O9 6357 15802 13884 12326 7423 26857 29147 10547 13492 13067 8919 8944 13919 7367 9463 9698 30210 11909 8768 4299 7635 4293 17240 25382 9924 9364 9394 10863 22709 3945 6536 15239 13508 10624 18346 12144 6267 10900 7576 17042 27290 15978 15465 28354 12708 7119 12702 12453 36226 7088 28032 11812 11033 554.4194 554.4229@1.081375 12419 11149 30882 23261 22527 10493 20486 19027 9673 24298 15964 15588 14519 21829 10056 22731 554.4229 554.4335@1.0600435 4781 7387 7156 12532 12892 8831 8459 8200 8065 10786 10427 8264 21581 21336 7796 9210 11218 4643 9428 4826 4023 4275 21497 14609 12020 7516 12607 10325 8909 10761 12092 5723 15197 15036 9018 6195 6686 13900 37155 30738 18542 30313 13306 15220 12839 14247 554.4335 554.456@1.054 13263 554.456 554.8307@4.971 2376 554.8307 C14 H5 N O15 S4 7822 6847 5947 5631 9011 9098 3974 3802 8067 7422 7111 7628 3382 4121 5663 5909 16478 17049 34167 33441 7716 7329 13678 14262 12711 13431 18749 18335 5756 5307 8043 8080 10892 10652 6528 6104 10249 10174 8165 8324 11860 11953 6643 7625 10762 11273 17631 18806 8278 7338 7489 6430 12041 12817 8489 7730 8495 7978 16592 16235 6950 6131 6852 7696 5018 5141 8480 7384 7543 6891 6083 6036 6077 6772 6815 7089 6154 10912 10960 10826 7469 7122 6788 7558 6721 6938 6981 9964 9506 6311 7150 554.8544 555.1148@2.742 8757 555.1148 555.2932@1.3199999 5947 4109 555.2932 555.4066@1.153 1414 555.4066 555.4158@1.115 2959 555.4158 555.4225@1.1212857 4481 2817 2345 3279 5463 1569 7711 555.4225 C33 H57 N5 S 2629 8522 8409 2406 2193 3075 2535 2273 2401 6675 7015 54443 53800 28546 28475 29248 30284 5877 5957 1828 3343 3178 8625 8781 19348 19664 9246 7241 5970 9326 6849 16920 18241 8767 10345 3288 2186 8253 9344 555.4321 555.4372@1.3405 18939 16751 555.4372 555.4373@1.587 9141 6961 555.4373 C25 H53 N11 O3 7259 4960 7694 6425 5918 3139 5942 6059 4669 6556 6992 5877 5008 4456 4850 4111 3538 5284 3252 4663 3752 7324 4556 5165 3585 8690 8355 3563 9824 6186 10266 8833 8579 7229 5042 10155 10195 8478 8393 6354 6512 8719 8088 555.4379 555.4449@1.0692002 4045 4032 5355 12663 9840 10979 5895 6158 8447 13545 10054 12478 7122 14450 13920 8875 7880 7968 3881 10914 4901 3191 6129 9053 5718 2747 14833 7464 6268 5257 5773 8708 14173 11397 12140 5849 21540 10250 11711 3483 12400 192015 193402 6004 555.4449 556.112@2.7385 42427 43700 556.112 556.2424@1.0715001 4456 4174 9051 10178 7957 6949 556.2424 556.2617@1.1439999 2657 3113 3294 2251 556.2617 556.2976@2.007 8698 556.2976 556.298@1.9690001 32639 28137 556.298 556.3062@2.055 8753 12165 556.3062 556.3091@2.091 5528 556.3091 556.3798@1.203 7791 556.3798 556.3974@1.09896 14043 15166 18324 10824 15364 26017 51972 24505 8799 7560 9210 13431 11934 12191 3072 11333 9729 11251 16140 36553 14981 23613 26607 11206 14373 556.3974 556.3981@1.1155 6234 3226 10373 24065 556.3981 C25 H56 N4 O9 9513 36385 9938 9446 18052 9340 9707 19370 9410 8921 11478 9802 12090 13736 6286 5657 7457 27408 8738 7820 15081 26318 14909 34620 27884 12186 34139 6384 21647 30531 12139 8729 28549 17790 29974 8123 9626 34240 10305 12794 37192 5721 3613 7105 35523 33205 13445 14957 11038 556.4014 556.4094@4.03875 1970 1738 1770 4430 556.4094 C17 H44 N22 7753 7014 6136 6826 6593 7805 4827 4410 6911 6564 2280 6729 6389 2784 9199 10807 8245 6327 7808 8338 9298 8689 7972 7635 2966 3913 1922 9322 2043 6616 7209 7555 6223 6768 1847 10193 7620 6092 4467 6904 3998 5006 4873 556.4122 556.4122@4.1356664 3996 9437 4967 556.4122 556.4153@1.1098001 8961 5344 11455 9926 28376 556.4153 556.4421@1.054889 20875 26507 21746 10542 27236 13080 17630 29580 36147 30320 20304 14469 18372 19873 17366 15564 9091 10062 556.4421 556.4476@1.0608333 31146 39622 21906 24030 58723 556.4476 556.9146@4.086 4599 4475 556.9146 557.114@2.789 1907 3700 557.114 557.2634@1.0307915 4635 3485 3615 4231 5904 5277 2510 4691 4748 9692 9031 4885 3903 5048 4572 3282 4623 1367 2509 2693 2321 2133 2468 2845 557.2634 557.2723@1.034 1340 557.2723 557.2826@4.645875 2835 4502 6717 6240 20424 3243 11794 6854 557.2826 557.2862@6.477 9575 557.2862 557.2879@4.7326927 18856 17319 26234 23429 8985 6486 4810 9326 5071 6324 36888 37411 10445 9314 16796 13760 17095 14216 16782 15772 3454 18765 67076 68151 12355 12852 557.2879 C23 H51 N5 O2 S4 12236 12105 11429 11197 8711 9388 14191 14715 12644 12225 11377 12620 11831 11528 6242 6159 12364 11560 8679 9521 18578 18228 12778 13202 8632 10019 9376 9594 14591 14833 12650 13280 10704 12356 15192 14192 10693 10216 9405 10969 17239 15392 6468 5913 8077 8423 12109 12608 10469 10763 12531 12382 9952 10498 9679 9747 10514 10173 9562 9273 8890 9242 11663 11621 12734 12916 11447 10563 10618 10710 11753 12115 10642 9891 13705 13551 15931 16262 12691 12442 11472 11254 11431 9921 12581 12050 11298 11111 12713 12383 557.2926 557.2994@6.3858 3399 1977 2472 2640 1748 557.2994 557.3021@2.019 17590 6602 557.3021 557.3095@1.929 2867 557.3095 557.3922@1.1725 2729 4780 5940 5719 557.3922 557.395@1.1605 3348 2545 557.395 557.3986@4.331714 4852 6806 7893 5058 7238 4602 8882 557.3986 557.4058@1.1522142 2633 4045 3470 8422 4083 2655 2763 3569 3028 2629 13425 2819 4506 557.4058 557.4172@1.122 3400 1508 3289 1241 557.4172 557.4629@1.0542964 15782 16105 18488 18535 6022 17724 19929 19518 11790 8250 16435 14740 9450 9115 22471 22438 15775 15142 14751 12483 12579 12266 13765 14704 9380 9830 557.4629 558.1243@5.6353335 1974 1732 1814 558.1243 558.2542@1.3205 11343 8568 558.2542 558.2581@1.1623751 6948 6622 10809 12338 5537 5052 4219 4307 558.2581 558.359@1.1505 4612 4266 558.359 558.3705@1.157 3788 558.3705 558.38@1.1985555 15106 13845 15883 16215 13435 2012 18489 16886 19553 558.38 558.3917@1.179 2805 558.3917 558.4005@1.1117778 7929 13909 22729 13773 9702 9027 15821 10060 18201 3530 76117 85920 7003 15956 9002 2751 23379 163198 558.4005 C31 H62 N2 S3 15656 13472 88200 12549 18741 17961 23655 96807 13942 28343 28145 30824 24759 126949 123767 21855 75915 59186 17274 20163 11983 11569 16632 13995 13984 10486 19004 19388 15102 18764 16635 97085 17841 105176 20006 52389 18942 25600 24112 307091 15115 100099 21237 15147 558.4059 558.4194@1.1069999 18921 73651 49867 12323 18387 26949 19750 13837 14682 558.4194 558.4285@1.093 15550 558.4285 558.4565@1.049 11271 11369 47004 10576 22566 558.4565 558.4656@1.0463423 109559 66053 42010 71637 70565 98573 61529 85994 97548 96346 93914 37048 57473 47381 40668 59026 45080 12954 93378 69882 73945 42006 15907 133579 129291 72480 63771 58430 75782 75339 65912 206272 114407 21500 30445 42453 53080 558.4656 C23 H37 N13 O4 9398 9482 10971 10968 8767 8048 10054 10289 11164 10378 14464 13951 11485 10940 5557 5735 9003 10442 10592 10441 11795 11359 6966 6622 10161 8246 8478 8154 12863 13099 9666 10083 9133 5454 13519 13053 6438 7003 13381 11089 9862 13215 6658 6802 7222 7488 11542 11419 8213 8301 11853 12076 8059 8367 7068 6587 10615 10671 11094 10512 8359 8241 7273 9156 11009 10191 8595 9092 10938 10142 9964 10602 6777 6362 10453 9949 16749 16327 12856 13401 9478 8524 9282 8490 7937 11302 10761 14795 14471 8365 8086 559.309 559.3104@6.444 1965 559.3104 559.3765@4.1045 11486 10831 559.3765 559.4031@1.1862 4155 1745 4126 2586 6713 559.4031 C31 H61 N O3 S2 3817 6377 6121 3068 12420 11343 5731 4430 11416 9500 4468 6872 4860 3706 10338 9279 59635 58526 7837 7091 9515 10794 16818 17807 24665 24329 6845 6542 8194 9817 2927 2720 6596 6661 8185 15891 13710 3868 3917 16330 14287 17030 17099 5398 5086 6266 5404 23860 23450 6012 2626 9088 9023 23218 22568 3108 6167 9054 5634 6959 6044 9037 7912 4327 4399 2017 4356 3918 3369 2549 7594 7259 1661 1928 6478 2437 6696 3623 5302 559.4115 559.4115@1.4375 5664 5327 559.4115 559.4121@1.1032 3242 7952 5211 7583 5472 559.4121 559.4315@1.092 4187 559.4315 559.4675@0.9945454 14112 17072 7897 6996 20701 20453 37405 24700 25610 26767 22180 20080 20857 25453 14029 22078 22104 13462 13970 44066 19910 26693 559.4675 560.0404@5.3694 8982 8417 2569 5342 5902 560.0404 560.0408@5.5753007 5660 7096 13538 14573 3311 3811 11840 11735 14011 14504 3812 4041 5359 5796 4520 5836 18104 16244 8048 8440 560.0408 560.2468@6.315 4961 560.2468 560.3711@5.5744505 5487 5530 10899 10883 3301 3019 9107 9248 11083 10984 3690 3927 4533 4505 4373 4085 13091 13334 6487 6293 560.3711 560.3745@5.3684 7146 6956 1340 4690 4212 560.3745 560.3823@1.0065 3540 7560 560.3823 560.39@1.157 5375 560.39 560.3983@1.123 24353 560.3983 C31 H61 Cl N2 O2 S 35295 6056 48481 12881 4685 74402 155647 39813 85521 9444 66158 43320 55385 95245 56075 47646 45179 56699 23981 3092 41855 57555 8814 5251 42623 26013 13036 81432 68319 53863 89686 48463 59191 30078 36418 44425 560.4118 560.4119@1.0913333 46012 29867 39144 560.4119 C33 H65 Cl S2 74306 43984 87690 48288 47854 58916 60423 52244 49329 46782 143594 81122 56422 64706 50345 152302 49097 135958 31877 34055 39601 58703 172359 77236 45663 56446 23364 80074 163551 70006 30293 59119 102950 100740 53046 79633 117543 98913 29107 60446 29169 560.4141 560.431@1.076 157601 560.431 560.4645@1.0417143 10719 8149 9304 12893 8266 26366 11815 560.4645 560.4676@1.0415999 13563 6474 10535 23051 69298 22933 9750 34780 35572 22868 23201 18193 18239 23638 28302 11616 15055 54284 33453 15592 22716 21707 17812 20049 22689 19076 67642 19975 32585 560.4676 560.7066@5.5382724 4155 3946 6621 5213 4955 4348 5841 5936 7653 5728 3136 560.7066 C31 H51 N3 S3 6621 6670 6702 6629 8316 7625 9508 9521 8415 8609 10361 10265 11525 10525 6061 7073 8344 8770 11457 12951 8256 8592 8786 8497 7251 7528 8545 8337 7180 7845 9699 9206 12853 12601 6965 7148 13057 13832 9944 11542 6999 7318 7273 6648 9080 9970 10320 8923 9370 8532 6263 6371 6129 5730 8354 8156 9525 9941 10819 9393 9807 9679 10520 11810 9895 10327 10345 9897 10727 9932 7998 8277 7327 7954 10433 11272 11523 12767 8438 9853 8968 7274 7115 12569 14027 12979 13063 7441 6685 561.324 561.3426@7.346 2858 561.3426 561.3997@1.146 2916 1776 7184 561.3997 561.4142@1.1151428 2186 3336 9919 2139 11729 19829 12810 561.4142 561.4243@1.063 4841 561.4243 561.4623@1.03125 6308 3469 2411 2894 561.4623 561.4716@1.0403001 5446 6627 6102 5587 1875 8113 11349 6843 4730 7780 561.4716 561.4828@1.041375 10478 10233 10782 9713 17912 13940 6852 6113 5290 14245 11226 11425 7461 12471 14007 15203 6791 6781 15580 16469 11313 15099 8832 9068 561.4828 562.0704@5.291 2288 562.0704 562.1669@6.632 17365 16251 562.1669 562.2056@1.1573333 3147 3635 2684 562.2056 562.2365@1.1425 2678 2736 562.2365 562.2391@4.716 4496 562.2391 562.3351@6.32 7459 562.3351 562.3771@1.053 3761 7154 6903 2183 2994 2682 2570 2112 562.3771 562.3792@1.00775 1633 2323 2257 2620 562.3792 562.4119@1.15 2220 562.4119 562.421@1.1208156 28183 7272 10353 7617 9751 11218 5902 6950 11475 8269 26326 20572 8419 8195 11636 2160 6828 5023 13850 8751 8825 7860 3876 3517 3803 16898 4246 5293 8742 6400 4002 13795 13342 25584 5345 106629 75802 70069 562.421 C32 H66 O S3 61706 39841 38926 121379 105428 8931 74439 136604 134764 105066 90408 8858 68664 57641 78153 24976 53277 81715 42589 66989 27197 87255 95151 54821 56481 90429 77150 42988 61982 43333 75690 61750 91489 76741 65963 109381 113079 52769 68566 67997 62716 105437 64641 58702 18614 66054 9343 73745 99320 98111 7288 118455 89837 80832 27517 74606 77884 80110 124545 41455 57876 19317 71477 26536 6390 52327 56810 562.4268 562.4272@1.069 84849 562.4272 562.4334@1.0626665 43040 42590 93031 562.4334 562.4624@1.0223334 1684 3260 2736 3362 1430 3090 562.4624 562.477@1.0194999 1487 1580 1660 4219 562.477 562.4917@1.012 1648 562.4917 563.2664@1.144 1966 563.2664 563.2838@6.8754997 7138 7305 563.2838 563.2958@1.0294999 4490 4444 5762 5419 2953 3168 1805 3825 2199 2659 3075 6338 563.2958 C22 H37 N13 O5 40852 41536 22294 22412 13197 12622 11248 11368 16543 15295 12878 12564 15690 14000 13688 12786 11487 11321 9484 8701 17375 17470 10574 11130 39929 39652 19115 19052 21809 22356 29913 31602 17996 18750 8258 9490 10949 10267 54529 54534 7495 6774 24100 25384 43926 43315 27785 28952 21659 21605 79851 76348 13201 13198 12913 14038 21924 22438 14465 13301 26826 26100 55537 55266 28281 28484 11701 12624 23923 22805 15375 16563 4318 4468 14017 13466 14567 14627 14764 15006 22866 21653 19401 11613 11138 10202 9776 9457 9657 11163 11844 563.3039 563.3042@6.3560004 5870 5641 3328 563.3042 563.3307@1.026 3202 563.3307 563.3563@4.5705 4184 3470 563.3563 C19 H45 N15 O3 S 27965 27949 23575 23757 38691 38654 6221 7891 32835 34097 29004 29442 5940 5182 26622 25375 68576 70323 182940 182415 17483 18866 63554 63646 33519 32031 63920 61321 3750 40072 39113 1288093 1268462 45526 44808 312156 306543 45958 44574 53948 55139 18360 18770 50965 51479 88290 86924 29297 27979 19440 18772 30281 30134 26049 26317 32426 30402 85153 87246 30282 29661 51357 51709 18256 18973 47998 48106 29289 30571 20199 20322 31122 31527 23098 23341 16746 14257 15577 128317 127859 28419 27491 25904 20564 18308 31019 31552 50607 49344 15451 14600 563.3567 563.3929@0.99749994 2609 2496 563.3929 563.4069@0.9903334 2418 7587 7459 563.4069 C37 H57 N O S 4116 3965 3419 3304 2742 4350 5096 4425 5545 11084 10267 9072 3788 11487 10427 4969 6991 4459 7146 10938 9223 8423 4054 3488 2096 1593 4677 5768 4287 5209 5546 5707 6461 6118 5813 5074 9007 7533 7962 8102 5053 6444 12011 11384 7290 7257 4194 4180 5024 5585 7043 8916 9495 11498 6635 6940 7928 7530 15451 16739 5905 5238 10734 10337 7994 10136 9911 18936 18548 17042 16739 7298 6556 563.4148 563.4263@1.0885999 9806 6517 4089 18332 18633 563.4263 563.4327@1.0685714 13509 9991 21931 24571 22819 13792 16399 17108 19932 19211 20507 19864 15948 15423 563.4327 563.4342@6.437112 2665 2703 8343 8780 2274 4028 3668 5101 5651 563.4342 563.8455@4.652 5688 563.8455 563.9895@4.652 4297 563.9895 564.0139@4.649 2771 564.0139 564.06@4.664 1175 564.06 564.1228@4.649 3842 564.1228 564.1311@4.65 4000 564.1311 564.1442@5.64 1711 564.1442 564.2733@6.6231256 3444 3359 25649 27683 4732 5158 4274 3411 564.2733 564.3103@2.235111 14219 13996 8413 6507 8805 9800 4140 3098 6485 564.3103 564.3493@6.259 5258 564.3493 564.3597@4.678 1905 564.3597 564.3721@1.022 2792 564.3721 564.3949@1.15025 2783 6597 8697 2138 564.3949 564.4038@1.0707142 3743 2559 2014 2883 2794 5356 3951 564.4038 564.4319@1.1122501 2099 8564 20985 15423 564.4319 564.437@1.093 2699 564.437 564.4421@1.0674735 18626 45830 22389 45926 54908 81583 52591 27978 26193 13814 44084 14295 74834 14571 16293 34406 77309 15947 37254 564.4421 564.4529@1.041 1937 564.4529 564.6598@4.65 5431 564.6598 564.8754@4.651 3044 564.8754 565.3191@6.309773 18313 19081 10558 11067 26600 14967 11691 22075 4054 15215 16071 14736 14979 12932 13683 15439 24260 32526 15662 10550 10341 16303 565.3191 565.32@6.4208784 200048 201311 223359 225004 150999 155746 248746 202867 182392 181826 203937 204446 81855 83376 168191 169990 213672 212231 198482 231999 223831 91293 92198 152894 152559 565.32 565.3205@6.465 6463 565.3205 565.3959@1.02 1480 2378 565.3959 565.411@1.037 1454 16638 15054 4036 565.411 565.4241@1.0567334 6319 2742 8538 8609 11459 13874 8999 14777 13784 13115 16090 16038 12099 12100 565.4241 C24 H56 Cl N11 O2 6252 7820 7495 9842 14594 11060 11040 10935 7450 6850 20321 20240 13035 13282 13860 7571 9777 8317 5600 6350 10383 6846 4004 14520 13013 17280 12608 11593 12038 10901 7040 9871 10001 11756 11631 10469 9687 10928 11379 12011 13461 19512 19377 8558 8550 11196 11339 12017 565.4331 565.4431@1.0628234 12105 14171 7466 8348 12941 11489 13249 13367 13356 10577 7192 13541 15242 12494 13224 10947 17015 565.4431 565.6015@6.4165 1649 1558 2305 5302 565.6015 565.6172@6.41 4114 565.6172 C22 H2 N2 O11 S3 29211 29126 31481 31855 32889 32869 33645 33505 33084 32138 29528 29627 31839 31615 29797 32012 30734 31907 32234 32031 30301 30969 32035 32457 33631 33582 34111 33915 35435 36424 29185 29053 31934 31711 34701 35148 34115 35057 35909 37495 30856 31738 30512 29586 32990 32590 31623 31670 34298 34024 32880 34234 30843 31639 33123 32395 32933 33061 32809 33021 32674 34083 32799 32288 36778 38218 32296 32281 30331 29838 32743 33327 35175 34113 32406 32524 32660 32384 31541 32204 33112 33918 34301 35227 33780 32911 34134 33260 35630 35213 31952 30432 565.8842 566.0244@7.651333 2730 3590 2028 566.0244 566.2865@1.1688 4805 3748 7939 6492 6156 566.2865 566.2883@1.192 6758 566.2883 566.322@6.455 2673 566.322 566.3631@7.651 2575 566.3631 566.3864@1.1526667 2254 1441 9305 566.3864 566.3954@1.1006 1560 2127 6208 3722 5848 566.3954 566.4126@1.1246667 1618 2974 3889 1114 2379 6006 566.4126 566.4177@1.145 2292 566.4177 566.4442@1.0662 7791 16028 15772 16205 16738 566.4442 C29 H63 Cl N4 O4 10564 10650 28970 27734 16251 16461 22973 23091 27859 27806 26413 26175 17402 9230 9283 25631 25328 21491 21949 20899 11790 11203 15961 14546 9629 8646 15636 14943 18983 9041 20917 21595 17616 17713 21547 20936 14278 14872 11626 15348 15423 26015 26029 19941 20610 14969 19294 15933 32299 31762 22512 14045 15111 15814 35142 35698 21743 15632 19902 13327 12253 566.4561 566.7871@1.182 1893 566.7871 567.0118@5.5637064 5167 4006 10781 9989 2279 6455 7079 8624 8131 3293 3793 3084 3174 8735 9468 4431 4211 567.0118 567.3347@6.455333 35075 3938 46637 567.3347 C27 H57 N3 O S4 327401 354571 330525 330263 265018 265636 248449 238950 166655 234841 446643 360137 315176 315904 178697 152823 243334 239326 341164 302757 264092 162115 175384 434231 432593 308026 301928 365732 365975 406368 415434 204124 159473 230553 220573 104754 82079 557955 260545 173785 231586 334460 336912 418061 416996 472153 474401 318289 385141 366209 468928 282306 292331 270296 204037 348183 181550 491505 490967 412349 480661 425053 444078 259287 362340 242098 243674 430211 466112 515502 521041 104079 103687 347759 349851 546481 649296 446298 350651 386518 374550 370778 317240 317874 215496 224502 423922 559463 113446 111027 567.3374 C26 H46 Cl N9 O3 26937 17066 24597 23628 16570 21942 15050 18623 26245 34563 33238 21288 23036 10512 19981 25186 25660 26108 27961 26012 15226 29662 29949 23145 22678 36788 28859 30607 20724 15742 14699 12196 14761 5754 5511 38006 39003 20431 19897 23886 24739 28285 29079 32549 46390 27136 25906 27241 27057 18943 19346 20476 20726 19227 22861 21730 33882 34877 33946 24529 31286 24156 24820 19099 19197 34557 32272 41267 39180 6785 7270 26214 26326 44652 42886 38443 39851 24135 19681 23035 22427 22755 15758 15892 43079 44613 13899 8319 567.3375 567.3376@6.418 289475 567.3376 567.3507@5.5639296 3753 3535 8822 8848 6713 6632 6624 6664 3605 3002 7591 7733 4072 4404 567.3507 C26 H49 N9 O5 12756 10857 7867 33633 34653 5449 16147 16532 11528 12630 11629 11860 49809 48339 154519 155157 11426 15672 44402 42124 32464 30780 59777 5513 7957 7211 26322 25901 29897 25992 14469 15916 25804 28025 16821 17091 20609 20191 53379 55497 12831 12461 7015 6488 21571 21553 10544 9402 10577 10538 60691 60347 11542 11916 12445 11903 8307 9816 13434 13786 14254 14802 5156 28910 31002 9889 9896 10545 3812 4651 13463 14817 17544 21137 11216 9909 567.3864 567.3865@4.1256247 6071 7063 6770 10233 6013 7363 53904 6093 567.3865 567.3867@4.144 1893 567.3867 567.4164@1.1235 3403 2578 567.4164 567.4286@1.0755582 46526 43566 33096 33619 62754 6998 107560 36961 14921 51761 4019 4851 40864 41827 9452 76436 72581 72548 10085 2876 6846 6143 7037 7171 65038 35331 5526 4692 69729 72720 2965 115809 134797 129973 73932 73406 98150 97322 54170 47667 81012 81475 567.4286 C28 H57 N9 O S 45857 45864 4037 8118 46031 45135 50885 50544 55993 61946 61699 58312 6109 30755 32291 68346 61827 31253 25763 55728 62314 59276 47271 38433 15901 27377 27540 31239 37671 63754 64530 67059 65527 64812 57614 59050 33459 6512 44528 23612 58115 26559 17993 49023 50791 47693 61841 61119 54935 50986 100039 13290 12766 6689 8336 6762 8335 567.4363 567.4414@1.097111 18632 12104 17453 16724 23409 9920 16112 4175 90185 21657 21517 83096 20900 10254 30471 80606 81182 4003 567.4414 567.444@1.131 10816 3954 567.444 567.4649@1.2057142 1753 4153 4088 4441 3729 6790 3549 567.4649 567.4682@1.2014999 3313 3791 567.4682 567.4784@1.027 2759 567.4784 567.6236@6.412 3264 567.6236 567.6841@5.5626254 4603 4818 3417 2921 3936 4013 4438 3899 567.6841 567.8863@4.097 2447 5048 567.8863 C18 O22 5098 7165 18723 18930 7869 8318 5868 6779 5312 5650 27864 26610 85284 85854 6325 6112 24880 23362 18630 18292 31987 32649 14082 13770 14542 14362 8854 7730 14088 14316 8462 9712 11518 10442 27674 29117 6966 6105 11778 11342 3939 5079 4322 5604 35223 34824 5240 5322 6122 6481 4884 4584 7286 7840 8306 7502 15594 16813 4820 6085 4859 7887 8074 10940 8693 5035 4422 567.8874 C30 H28 N6 O6 3710 4249 4675 4874 2382 3282 3298 5427 3997 2482 3496 3481 3457 2709 3926 3113 2286 3596 3400 5972 6473 3618 3741 3841 4468 5498 5799 3738 3169 5167 5838 3434 3540 4501 5034 5423 2186 2844 3548 3345 3059 4348 4043 4286 4313 5457 4573 4650 568.2082 568.2163@1.1543334 6150 5749 3886 568.2163 568.2451@1.101 4235 2420 568.2451 568.3122@4.6440005 3299 3770 9541 3123 62004 61115 17608 17010 2739 4085 4382 3801 4431 6986 568.3122 568.34@6.3269997 4067 51892 2858 568.34 568.3799@1.0780001 2136 1072 568.3799 568.3976@1.0808 7277 9789 3666 5378 1884 568.3976 568.4062@1.133 5165 568.4062 568.4112@1.1364 2393 7725 2181 4458 568.4112 568.4339@1.0843999 3892 38420 2298 45725 44284 568.4339 568.4421@1.0733333 17770 12931 11728 31598 10532 36296 74020 16337 48957 12828 35012 3700 568.4421 568.4451@1.0625 17069 49314 568.4451 568.4534@1.0731667 54928 56140 59965 57783 9711 84302 568.4534 568.55@1.1170001 1944 2502 568.55 569.2259@4.205 5151 4153 569.2259 C27 H55 N O3 S4 8883 8497 12321 11918 6657 6462 10726 11110 4032 3913 2229 3297 10035 9767 2881 6402 6603 5854 5438 5540 5565 3534 3695 16807 15010 15799 5798 6204 4463 4203 6453 5537 569.3083 569.3462@6.3288574 6482 6188 2961 7106 6235 6236 45890 569.3462 569.3508@6.3756456 5761 4155 86827 82672 3630 57588 49139 39814 7680 4897 58548 23721 68439 86351 85438 7638 112422 89501 78848 5334 93309 4035 69570 7572 5992 121480 4598 98634 140204 54199 3761 569.3508 569.4111@1.2455001 12001 8053 569.4111 569.4197@1.131 2026 1433 569.4197 569.4383@1.0718 14209 13848 2543 4112 6235 569.4383 569.4432@1.08875 16561 17646 2401 7858 14835 5564 4282 4235 569.4432 C31 H63 N5 S2 1715 8984 9481 6942 6344 1992 2083 15326 14864 10434 9863 1883 143661 137920 38752 38783 2039 5361 7587 6427 1915 24226 24632 5191 4302 2751 1730 2403 10955 11660 28040 28869 10279 10288 6598 7502 8159 7398 8504 3218 3869 15279 16530 4624 4196 18865 18598 569.4532 569.4536@1.5935 8747 14290 569.4536 569.4543@1.6605 9346 5491 569.4543 569.4567@1.062 20021 569.4567 569.4748@1.028 2936 569.4748 570.096@1.631 2966 570.096 570.1914@5.829 1394 570.1914 570.2782@1.112875 23946 10113 33655 17477 39278 5911 53898 22796 14839 143901 147356 16253 16629 227886 229262 13851 570.2782 570.2843@1.1127273 9751 10306 8525 6281 5286 6480 5768 7772 7972 8556 7957 570.2843 570.3519@1.165 6564 570.3519 570.3554@6.3965 36700 28652 570.3554 570.3621@1.159 2949 570.3621 570.3796@1.128 11018 570.3796 570.392@1.105 4421 3322 8846 14436 16970 2577 570.392 570.4012@1.1263335 11390 2648 3502 7119 18499 9164 17673 3184 16729 570.4012 570.4098@1.1695 2428 3411 570.4098 570.4228@3.985 2391 2078 7203 570.4228 C18 H46 N22 + 4.001586 7475 10572 3191 5873 6408 8492 4626 5510 2653 4111 3831 4708 4715 4021 4991 3168 7584 2726 4910 5837 4254 3942 5027 2669 6414 7619 11019 7699 3040 7821 3415 2624 3092 5154 3476 11760 4705 3244 4369 3332 7528 2517 4321 6205 8169 4711 2441 4041 3722 5690 5899 3659 14498 7812 4335 3442 5615 3099 570.4264 570.4266@4.1168694 10069 2891 6720 3945 3574 3014 8241 4824 5096 6180 8350 5851 3231 4078 11917 2499 3605 8064 11880 6376 9555 4171 12770 570.4266 C18 H46 N22 14668 6084 11708 14851 4397 12159 5834 13032 12029 10855 13751 11866 4438 5857 4894 6653 13736 4209 8331 5705 13225 16941 17139 13254 6499 14550 3515 19557 9708 4337 11210 9622 11759 10709 11963 4960 15717 7681 15036 13692 13158 11271 16747 14342 18690 18552 8126 12971 15008 14053 5105 12526 18957 7415 5439 11895 10697 5805 19818 15197 8439 4645 1891 12920 16084 5486 4077 9804 20430 12110 3962 16481 4564 6444 15182 3205 20193 9765 10144 3201 2424 15414 17355 10117 12980 7170 22100 570.4276 570.4374@1.0665653 57628 53523 35865 72664 70242 76843 113297 108330 7125 9202 9405 2169 72696 65071 73251 3053 126977 121399 52856 107903 108806 91220 90763 570.4374 Parasiloxanthin/ 7,8-Dihydrozeaxanthin 35648 87606 87691 55343 55183 5352 62377 81418 71380 25458 16120 5460 94343 61360 87818 85419 92032 68955 70540 54532 56219 53752 36123 6430 70078 68572 8186 40353 116675 113349 65961 67875 53632 46268 113257 114638 11213 11150 84189 6003 73836 50291 52880 23710 59036 61141 140716 131407 74220 72350 71604 87204 126838 12244 LMPR01070092 570.4395 570.4561@1.0525 56078 153930 570.4561 570.9232@4.113 2522 570.9232 570.9275@4.023875 3301 2342 3117 3565 3972 1936 2976 4974 5076 3076 5379 4434 6125 3168 3637 6597 570.9275 C25 H N O16 8951 8988 5634 6418 8847 5436 6084 9418 7807 10577 3855 3473 4443 8473 7771 4068 7421 3311 1789 6323 9116 10557 4688 10029 7873 3884 9571 11721 9848 3734 6074 2534 5678 4367 8504 4995 10586 6299 4680 10428 4120 10751 6210 3946 3837 3443 4584 6422 9677 12125 570.9287 570.93@4.1266665 3669 2295 6176 5616 2173 1447 570.93 571.3637@6.417 2840 571.3637 571.3704@1.2043333 4081 4926 5248 571.3704 571.3843@1.201 9694 571.3843 571.4142@1.206 3057 571.4142 571.4235@1.205 2219 571.4235 571.4418@1.0863333 2719 2282 8108 571.4418 571.4433@1.0613501 8576 9319 8296 11331 4066 8706 4305 6152 5688 5710 6220 8636 7746 7866 13043 11061 6587 5884 11540 15125 571.4433 572.0295@1.1165 4778 2705 572.0295 572.1903@5.1689997 2816 5407 572.1903 572.2738@1.056 5291 5939 4917 3636 4254 4042 2373 572.2738 572.2869@1.122 3393 572.2869 572.3449@1.13 2395 572.3449 572.3652@1.128 6108 4937 4571 572.3652 572.3695@6.3760004 3823 7704 4726 3394 4884 572.3695 572.3776@1.13025 4265 3777 3698 8008 13623 1339 3903 5848 572.3776 C28 H48 N10 O3 6936 5086 8247 7959 6350 5527 4407 9805 3869 4365 5591 6516 11244 8640 7088 6872 8232 8893 3899 11387 6532 8644 7851 3933 3808 6716 4380 11509 11152 5329 5172 4964 5524 12838 7120 9075 6115 27605 3464 27481 21148 5450 572.3856 572.3938@1.134294 6610 9435 10235 6048 5945 20798 9679 15734 10243 7707 9092 4522 2538 5009 7161 12753 8468 572.3938 572.4003@1.127 4765 572.4003 572.4026@4.409 3299 572.4026 572.4075@1.1265 4179 5104 6795 7293 572.4075 572.4317@1.147 5258 572.4317 572.4489@1.0543 54065 54206 61931 63371 60893 77989 20992 19938 64191 37645 22863 46875 47464 163021 5452 20939 20793 56255 58454 48232 58239 478565 106752 935987 47737 50468 685457 117623 16703 136580 572.4489 572.4577@0.9775 2471 3451 6387 7220 5662 5353 5039 5775 572.4577 Dihydroxylycopene/ OH-Rhodopin 3270 2353 3039 3171 2727 2920 3363 5106 5333 4549 4179 6606 7259 6804 7756 3872 6697 4564 5873 4722 5067 8005 5661 6826 5400 4280 3686 3333 3754 3738 3103 3742 4217 3697 4985 4705 5791 5656 4924 4087 4123 4593 4687 4672 5398 5228 2972 3132 4964 3657 4343 4654 4336 4041 5012 4941 4371 4157 3411 4084 7525 7003 3966 3592 4721 5488 4699 4875 5042 3752 131382 3936 3804 2716 4845 6404 5807 5465 LMPR01070116 572.4628 573.2868@1.122 3488 573.2868 C25 H55 N3 O3 S4 6881 7359 7937 7480 7925 7504 6596 6758 7279 7698 6572 6761 6890 6933 5304 5094 6399 6277 7217 7218 4109 4351 2838 6111 5664 4816 4647 5200 4950 7118 7421 7403 7631 7090 7494 6127 6251 8491 8729 5728 5930 6592 7280 6368 6131 6633 6222 5769 5836 5310 5225 4844 4756 4507 3908 4031 4637 6651 5402 8354 7560 7335 7388 6409 6741 7737 7387 7740 7382 6620 6376 4337 4696 5270 5595 5580 5789 6967 6597 4766 4621 4420 4155 4416 4826 4619 5566 3127 573.3135 573.3398@1.126 2187 573.3398 573.3941@1.1292499 2754 3993 3268 3716 573.3941 573.4043@1.203 5855 573.4043 573.4125@1.1225 3578 3656 573.4125 573.4296@0.998 151642 143548 573.4296 573.4508@1.08 5520 4138 2493 573.4508 573.4561@1.0342858 9406 9890 6420 2711 18202 4376 5753 573.4561 573.9903@5.5572004 7760 8711 4799 4799 6268 4973 2725 5814 6104 3227 573.9903 574.0922@5.626667 1336 2126 2985 574.0922 574.223@0.901 2662 574.223 574.2499@1.301 7749 6212 574.2499 574.2526@1.1637499 4506 8332 9956 10375 5103 3987 4664 5332 574.2526 574.2802@1.0404999 12592 12141 574.2802 574.326@5.5565557 3043 5944 6159 3921 3437 4020 4031 3771 4419 574.326 574.3413@1.6464999 24305 22515 2835 4909 574.3413 574.394@4.2474 11627 11411 4055 4988 4118 574.394 574.3945@1.129 6439 3052 2964 9238 574.3945 574.3997@1.132125 6791 11861 8117 7506 9340 5133 10033 8655 574.3997 C32 H54 N4 O5 6850 9089 4957 8109 20376 22539 5899 25280 30894 16444 9505 13473 28362 9770 14062 5098 7660 7340 1991 11630 3122 2882 17463 7297 6293 15919 10143 9938 10569 7592 8722 7952 7996 11570 10222 24352 9585 5597 8388 9161 11920 8831 7857 574.4094 574.4174@1.1340001 23620 11745 16001 5778 5856 10494 15409 574.4174 574.426@1.1368 13716 15246 7630 10706 3031 574.426 574.4635@1.093 26729 18284 14358 7487 56832 574.4635 574.4642@1.0525702 108394 111522 75180 76221 263271 264073 128809 129115 119088 130510 144222 143886 419253 950553 277522 278439 219711 221416 342446 339962 55974 221430 221433 244046 647846 215453 203586 173689 176761 411800 142808 109593 114366 80800 80938 141707 140227 179906 182319 64333 291732 709111 158923 159367 132461 115926 84990 94603 201076 202627 213132 226520 162843 177450 107482 110569 196076 195502 136551 137859 179595 439532 432497 869595 14828 190200 187252 466471 490629 455149 406183 205818 200493 103639 671849 684227 110091 105271 574.4642 574.5004@4.4743333 4114 3893 4196 4507 3833 3632 574.5004 574.6612@5.556667 3725 4971 2411 2944 2708 3631 574.6612 574.7162@5.6954727 12970 12180 3948 3721 2683 25676 23954 57417 57383 12944 12829 35086 33713 39928 38568 6056 5353 7345 8246 6060 5362 17774 17235 19056 19966 16797 16519 41411 42980 3485 3503 22699 22295 10148 10301 4025 574.7162 574.7509@1.0516 6138 3016 8316 2646 2065 574.7509 574.8959@4.2475004 6515 5529 574.8959 C19 H17 N3 O18 9745 9550 2917 19978 20070 44637 44361 8971 10077 27374 28394 29039 31327 4734 5040 6469 6271 4632 4336 12997 13073 15529 15278 13562 13698 34024 33186 19323 18274 7590 7747 2893 3097 575.0506 575.1827@5.788 2285 575.1827 575.2557@1.13725 2973 2383 3037 2990 575.2557 575.2683@1.1368 2038 2357 2756 4252 3635 575.2683 575.2735@1.139 575.2735 575.2745@6.513 3754 575.2745 C23 H46 Cl N3 O11 5202 4908 5431 5468 6154 3785 2553 4481 5356 4699 3240 3644 5169 5041 3399 2935 3367 5036 5013 4986 4142 4645 4838 2730 4002 3545 3276 3109 3282 3942 4888 4211 4807 4338 5089 4664 3878 3892 2065 2718 2839 575.2819 575.2833@1.1409999 2814 1631 2080 575.2833 575.3002@1.049 16797 15590 575.3002 575.3304@6.669 5285 575.3304 575.3859@5.696 6734 6619 13042 12896 22504 28201 6198 6029 17197 16605 19396 18827 4133 4209 3376 8755 7367 9666 9787 9523 8308 21781 20821 11588 11489 4724 4336 575.3859 575.3878@4.382 6023 575.3878 575.4016@1.1163334 3129 2558 11190 575.4016 575.4032@1.12475 4858 3225 3220 3513 575.4032 C32 H57 N5 S2 14321 14248 13151 12706 15957 16475 12910 2961 15278 14138 13371 12864 13451 12255 13033 3270 35811 37147 11463 13348 13010 13425 14691 21010 20147 9736 12701 14123 13767 14992 13432 13105 12614 13748 13449 15450 16377 11340 12269 14644 16545 17212 16467 11931 12075 10376 10298 15230 10968 11190 12748 12207 18671 11954 12732 12723 12867 12509 12975 13192 13242 12705 11069 10293 11388 11365 12318 11342 9037 12985 10792 16211 15798 10561 10851 10318 11303 11604 11032 11703 10296 2815 10181 11237 575.4072 575.4152@1.1301666 4672 3165 3675 3615 3343 4068 3504 4071 3414 3566 3188 3351 575.4152 575.4199@1.1313334 2923 3341 2081 575.4199 575.4328@1.138 2453 2525 575.4328 575.4635@1.055 20809 20293 575.4635 575.4712@1.0506666 16768 18529 25509 25647 25465 31815 31991 31688 29745 575.4712 575.4828@1.0308572 11226 8318 9002 13131 9220 6942 14783 575.4828 576.1829@6.7085 52639 52321 576.1829 576.2126@4.2115 9878 9138 576.2126 576.287@1.1322 3720 4884 3203 3429 576.287 1-Hydroxyvitamin D3 3-D-glucopyranoside 14851 14776 12596 8419 18646 12570 6036 5425 10964 15719 10158 15068 5964 8547 8704 8573 33508 32462 57590 61007 16359 10499 19795 20062 26602 18461 36767 34253 12418 8392 11753 12479 14148 14888 13677 14051 14383 15855 11211 15339 20947 21279 14098 14612 23478 25472 32534 32790 17741 16399 10586 12355 23934 24099 14279 12663 17375 12088 33400 23269 9439 9285 15431 10306 7869 7681 11818 17096 14159 14105 8596 8572 9700 9448 14002 13792 8548 21056 14468 15357 3017 9469 9525 10619 14860 10757 10302 12687 11407 15146 9791 LMST03020671 576.3653 576.3688@5.692 6234 576.3688 576.3738@1.0155834 7845 9617 2780 4401 2095 2618 4527 4845 1957 6414 6230 3545 576.3738 576.4091@1.14 6008 4959 5156 3882 5057 7176 4236 1421 3247 2786 41822 8716 17536 4484 2802 10777 6383 576.4091 576.4236@1.1344999 1433 5039 6080 9232 8560 13347 13124 5578 7778 9947 10156 16079 4160 4594 10234 10296 13466 14015 4953 11014 576.4236 576.4297@1.1334001 3931 10464 10847 9014 14188 16366 14026 6604 6992 13460 576.4297 576.4384@1.131 9622 576.4384 576.4425@1.1388183 14096 7850 4530 11110 11200 14090 9495 14096 16641 2115 5012 576.4425 576.4789@1.0810001 12958 69402 34551 51551 22615 325574 116844 576.4789 1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycerol 245393 233334 153161 149040 629165 603083 279722 280571 325374 335850 261194 258101 581541 47032 95131 95626 760238 750063 318172 320639 491801 498866 77587 95080 484030 480991 381762 501845 490141 409671 462245 18454 255575 319138 260161 196303 218922 411254 407489 403073 411808 19944 144313 461392 70585 384018 386239 481742 476766 152062 152227 222510 179010 319796 334477 554233 618226 331090 410316 250450 219894 377098 380588 279559 305417 442063 24475 858202 838275 338792 353420 793998 1004898 398973 542952 193227 246154 242250 263059 251782 25297 268560 299804 171697 174647 576.4797 576.486@0.997 1416 576.486 576.5073@0.986 3095 576.5073 576.765@1.0552857 2267 2091 2034 2332 5299 4596 4776 576.765 576.7754@1.051 2763 2339 2873 576.7754 576.7885@1.047 2210 576.7885 C16 Cl N O21 6107 5538 4852 4786 7438 7877 3301 5881 5968 5454 6625 3513 4763 4344 14220 15154 28098 28294 6542 6158 11429 11395 12112 10845 16019 17547 4175 4013 6529 6772 11662 9164 5238 4691 10085 10896 6772 6016 9668 9892 6194 6405 9956 10029 13777 14857 7189 6774 6092 6834 11809 11591 7233 6832 7046 7410 15015 14807 5604 4890 5163 5486 4377 4031 6084 7522 5783 5753 5977 4644 5315 5346 5042 5643 5215 7728 9060 8661 5182 5098 5061 6073 6663 5715 6322 7331 7097 5952 5813 576.8677 576.8693@1.063 2785 576.8693 576.9635@1.069 2258 576.9635 576.9705@1.043 1539 1476 576.9705 577.021@1.053 3102 577.021 577.0577@1.055 2963 577.0577 577.0854@1.046 1241 577.0854 577.1975@1.068 1668 577.1975 577.2601@5.481 5400 5867 577.2601 577.3374@6.383 429745 423384 137771 137921 31786 30097 5751 14420 14178 7651 577.3374 577.3494@6.3871737 4056 4328 2762 4211 7465 7127 6229 1758 4527 5677 11875 6608 6483 5527 6451 6919 5355 5302 5731 6669 4819 7777 4905 577.3494 577.3505@6.3920712 4573 5917 4877 4348 4829 9876 10608 6526 4293 5321 4261 3870 5139 4274 577.3505 577.3766@1.028 2018 577.3766 577.3786@6.49 8035 577.3786 C28 H51 N9 O2 S 7214 7184 7671 7573 5290 5592 8587 8979 7823 8147 8111 7635 7475 8035 3867 4190 7940 7793 6600 6364 6799 7417 6002 5797 4055 4096 4534 4612 6621 7210 7557 7765 7151 9014 8304 6469 6323 6290 5720 10918 10411 4299 4774 3692 4104 5385 5655 5068 4586 5658 5895 5523 5329 5151 5111 5407 5179 4491 4990 5935 6078 7448 7551 8163 7435 6894 7205 7220 7225 4850 5582 4777 4647 5997 6600 6540 7009 5337 5160 5233 5731 5629 5406 5555 6358 6123 6331 5842 6720 6369 577.3898 577.4002@1.148 2218 577.4002 577.413@1.14 2824 577.413 577.4148@1.15225 2120 2297 2348 4356 577.4148 577.4303@1.14975 2644 2494 3080 2320 577.4303 577.4394@1.1294 2427 2092 2377 2297 2613 577.4394 577.4533@1.1375 2115 2004 577.4533 577.4598@1.142 4891 577.4598 577.4835@1.0796667 17581 12416 11140 12961 14539 10801 15747 33153 29194 185740 123686 5304 577.4835 577.6141@6.397 2272 577.6141 577.6221@6.396 3900 577.6221 577.6864@1.07 1041 577.6864 577.789@1.046 2511 577.789 577.8321@1.053 1939 577.8321 577.8568@1.06 3139 577.8568 578.1485@2.745 2963 3636 5500 578.1485 578.3704@1.201 2070 578.3704 578.3854@1.001 4825 4933 578.3854 578.4235@1.1289167 3637 2351 5926 2352 7866 5095 3990 4207 3670 9432 4360 578.4235 C25 H50 N14 O2 7149 2750 2001 5306 7016 4012 6866 4149 3323 6602 3808 5981 6312 5869 4959 5397 2021 4714 4539 5606 8470 4472 4795 4846 5493 6824 7039 6837 5435 9184 4976 7338 6527 5280 5821 4527 2973 2140 5253 5934 1787 1817 5890 7055 3159 4223 12510 7102 5639 6180 6821 5674 5319 6704 578.4242 578.4256@4.2771 1705 1854 4436 3579 6427 4071 10212 4582 6114 7587 578.4256 578.4284@4.3143334 2127 5409 3925 578.4284 578.4387@1.1217307 3994 3748 17015 2985 11975 14484 6909 17610 5618 12762 18409 17355 12154 6124 5266 5351 8841 7351 6160 5384 7282 5094 7197 10825 4411 3736 578.4387 578.4468@1.1266667 4035 13504 14670 4162 6848 10318 578.4468 578.4831@1.1016668 5203 2020 8148 578.4831 578.4931@1.0522858 24927 31327 34064 41043 191081 139532 55976 578.4931 578.7825@1.049 5293 578.7825 578.9258@4.23625 5412 6254 3778 4741 578.9258 579.3595@6.6210003 6303 6187 579.3595 579.3729@1.018 2060 579.3729 579.3895@5.651 3494 579.3895 C27 H58 Cl N7 O2 S 3814 4069 6199 6276 4183 4007 5691 5763 6268 6191 9060 8806 6125 5969 5628 5965 6200 6213 4336 4135 3504 3583 3360 5624 5641 4200 4339 4574 5271 7977 7374 3170 7583 7196 7521 7220 4093 4322 4851 4706 5895 6604 4535 4763 5824 4460 7647 4160 4212 4939 4906 5194 5276 11439 5138 5259 4449 6735 6832 4283 4283 4173 7463 6576 5735 5326 5293 3633 3995 3593 3439 3008 5486 10946 6991 6498 3168 3517 579.4049 579.4109@4.4577503 5804 5671 6447 7104 579.4109 579.4346@1.12125 2090 2146 1778 3205 579.4346 579.4456@1.125 3191 2573 579.4456 579.4779@1.073 6604 579.4779 579.4922@1.0544285 10964 10601 3735 9573 9188 23930 39306 579.4922 C34 H65 N3 O4 24647 28130 18260 9228 26410 26982 46890 45047 10736 10510 33305 36075 49246 38419 59897 62610 29512 40457 28250 41834 17388 79914 79421 28002 25444 31091 77020 52920 36094 37470 34125 53104 58526 27397 23807 579.4957 C31 O9 S2 2628 2747 3025 3201 3027 3198 2991 3595 2880 2935 2746 2677 2995 2938 3128 3501 2831 2620 3236 3167 2694 2965 3071 3301 3364 3653 3263 3119 3536 3815 2542 2351 2986 2926 3392 3284 3219 3250 3703 3571 2920 2654 2769 2481 3274 3378 2600 3095 3509 3516 3760 3208 2920 2787 3115 2906 3166 3096 3086 3643 2980 3183 3353 2885 3952 4480 3094 3223 3042 2541 2892 3052 3483 3398 3059 3102 3213 2975 3068 3312 3006 3405 3194 3536 3054 3208 3476 3224 3573 3425 3065 2979 579.9011 580.2355@1.4273635 7307 6095 20900 21915 4356 1999 15972 20677 8117 7904 19081 580.2355 580.2357@1.3246667 4502 1973 3203 580.2357 580.236@3.9503636 2479 6715 3704 3541 6359 6403 4429 4906 2983 3070 3302 3715 4695 5258 3507 3510 2586 3864 3460 2831 2888 2869 2894 3451 3141 3341 5187 5459 4747 4387 6187 6077 3683 580.236 580.236@1.4855715 9865 8491 5736 7266 20258 7701 6726 580.236 C35 H37 Cl N4 S 82993 57598 180389 158224 82192 81267 5426 39428 6062 78206 92619 94351 78908 38614 43227 45949 44033 58251 56996 44918 46550 10880 12024 52689 50736 31910 30547 46939 72356 71624 94149 99837 55175 53881 56174 74994 75615 83710 41746 26180 23482 65662 71460 54712 52285 65617 66720 68422 64664 51498 59603 71543 63343 68544 65777 93006 67150 91146 89983 93391 91523 23656 30027 63849 66926 82050 45806 25702 51147 51327 39219 41010 72516 6858 79967 83221 85943 79380 94868 165070 147057 580.2366 C38 H32 N2 O4 19922 38723 47926 36396 77698 86776 83023 20533 19493 25561 30039 29022 30556 30309 36267 37596 28809 30447 19089 21940 34664 29975 42457 41029 13206 13426 22660 44340 41614 31720 27143 35351 35595 41843 42420 24483 26220 38861 38317 51225 51822 24953 41219 40691 34911 34053 39623 60649 61951 31371 12478 47029 44552 50751 37919 25024 26208 26283 29591 24955 24299 39615 53047 36348 50810 44635 47623 141950 181706 55169 147507 76124 82570 100999 106545 50899 69821 580.2371 C31 H48 S5 48814 54840 77879 92521 41580 42006 24104 22172 32447 36555 29342 30705 75637 78840 31442 30888 30572 33410 28869 29807 36208 33896 22759 21981 30889 29423 23617 23576 33548 38789 56072 54700 47314 40502 26886 22759 24592 26255 40390 41101 42941 38771 38413 39090 44674 42971 34634 33572 41687 37577 69679 68948 35022 38836 58537 57495 47714 46909 62492 57499 36015 32041 55220 66767 30921 32658 39738 40236 49225 42390 44717 44597 36179 31127 35139 34883 45862 50918 59726 54135 62881 66819 64341 58258 54304 27289 26073 31113 32190 58551 59070 580.2372 580.2376@1.2508 11632 5016 3323 24725 7903 580.2376 580.2678@6.6064997 3398 3825 580.2678 580.3866@1.02 1992 580.3866 580.4355@1.1090345 4452 8290 3180 7849 5112 7088 8939 6230 10832 7198 8324 6725 15638 8015 3129 6595 8155 9181 6418 6829 5599 9311 8495 13070 9989 4934 6687 6783 580.4355 C36 H65 Cl O S 5244 9265 6832 11155 6197 7519 14697 8120 8597 8850 37492 5462 5732 6330 3837 6337 7548 6069 9619 6910 11448 7235 5690 11194 16555 7114 4656 4671 7918 12361 6072 19294 8276 6160 7964 11909 7297 12094 4687 4667 580.4408 580.4986@1.0457141 6515 14664 9724 8571 9030 13213 3970 5906 13924 16839 8928 9220 16847 11211 31266 7671 9539 32303 11259 7830 7564 580.4986 580.4996@1.0438125 22532 19393 26698 28296 36971 39203 23169 18954 14892 15292 18242 17593 14378 23820 35476 24890 580.4996 580.7027@7.741 2762 580.7027 580.9681@5.5531425 4040 3828 9620 9539 5033 4874 5165 5326 2591 3170 5340 6385 3359 3281 580.9681 581.1736@5.796565 1496 2327 2625 2353 2353 2126 1678 1553 3363 2988 3028 3114 1929 2059 1490 1780 1958 1328 1857 1753 2222 2074 1718 581.1736 581.213@2.839 6216 581.213 581.2147@2.884 11898 5153 581.2147 581.2404@1.14325 7636 11892 15799 5493 581.2404 581.2412@1.359 4231 2016 581.2412 C17 H42 Cl3 N13 O S 15998 16719 23028 19218 9770 8154 16756 16197 28815 27740 9412 7676 21516 30862 23971 26613 12113 12792 9114 15066 14841 21987 19303 26709 31447 24750 11896 12704 11871 10291 18793 14060 17518 13570 8752 24593 26992 16008 15664 21931 21657 17696 21823 29260 20094 16559 25529 29743 31614 29679 29998 6143 26089 28761 40304 37432 14766 34318 34611 37164 35346 35187 23122 581.2422 581.2425@1.5009233 16462 7346 10667 8447 9646 11397 10803 9173 8065 11632 9863 6949 12275 14811 23963 28905 15261 21636 5160 5179 17694 57425 19541 30150 30652 61067 581.2425 581.2428@1.653 4459 4833 2482 581.2428 C18 H40 Cl N7 O12 + 3.9483187 4965 5157 8578 8791 5903 5635 3596 3586 3264 4480 4180 3129 3431 3010 3398 3848 2811 3217 3626 3730 5698 6364 4317 4560 3720 3387 4484 4568 3364 3584 3367 3122 3071 4325 3976 4444 4446 4079 7370 6649 5526 5490 6994 7191 4491 2924 2701 581.243 C18 H40 Cl N7 O12 63956 62413 24399 64129 50461 51929 17734 21377 49576 42646 70600 73451 42692 42880 34602 32813 41484 41746 47294 44703 32258 33399 8801 8303 39139 38429 22934 24360 28972 29940 50366 45738 66517 65661 34245 39360 42009 49116 42424 46194 26507 26837 38703 36155 49187 51063 43601 44036 54026 53740 44491 44080 46654 50718 39090 52560 52799 51815 36634 59853 62804 50477 51015 29909 22569 42559 43024 36680 42798 39768 31679 45232 43717 26874 26021 55359 5214 59423 57116 58863 51847 38641 50559 58358 62240 47380 45943 31072 27720 581.2431 C31 H48 Cl N O5 S 9225 9208 7053 7691 6932 6266 6210 6154 9408 8749 7309 7442 4089 4602 6357 6161 8559 8668 7381 3887 10969 10968 7413 7787 7743 6479 7754 7705 10273 11762 9285 9603 3420 3307 8056 5544 9362 9476 6147 4359 6875 6962 4261 5643 7539 8557 7170 7334 7404 7192 7064 7432 6587 6062 10088 9566 7251 6966 6123 9147 7819 8548 10079 9914 7597 7697 6647 6584 13818 14007 7314 7102 12479 12225 13069 12788 8374 5922 7593 6603 6786 5361 3135 12072 12606 6989 6791 581.2927 581.2999@5.55325 2541 2436 7408 6960 3299 3984 3946 4138 4204 4640 2092 2113 581.2999 581.3217@1.019 6755 5382 581.3217 581.3732@6.591 6197 6104 581.3732 581.4112@6.4095 2524 5479 581.4112 581.4145@1.1615 1824 3805 581.4145 C27 H59 N5 O6 S 3217 3619 3321 3238 4491 4951 4277 5069 5643 5542 5619 5528 4454 4226 6176 6192 3696 3310 3507 3777 4697 7378 7880 7202 7717 5294 5860 4436 4312 3409 3498 2839 3390 3369 4098 4930 5082 5637 5142 5324 5038 5782 5246 3432 3818 4652 4930 3181 5071 5726 581.4185 581.4243@1.125 2168 3395 4356 5899 581.4243 581.4397@1.1237142 2970 2411 5218 4224 4010 4671 3145 581.4397 581.4464@1.1169231 2456 9356 2822 10844 5752 8609 2386 2497 3624 2825 4155 7753 7708 581.4464 581.4652@1.1198462 5921 9527 8105 12108 10669 4396 14363 2799 3807 12474 7150 6003 5754 581.4652 581.4674@1.0723333 5916 7000 7607 581.4674 581.4761@1.0571876 8507 12227 7229 10344 12037 12181 2970 12150 6929 4866 10635 4972 6205 6414 5047 5843 581.4761 581.4871@1.034 3784 581.4871 581.4907@1.0408571 6459 1871 8244 1953 4015 3767 7685 6682 10549 2570 3532 14882 15902 6300 581.4907 581.6371@5.5527496 5124 5083 2614 2518 2745 2847 2909 2894 581.6371 582.2398@2.0 3239 582.2398 Biliverdin IX + 2.0339859 4993 18195 19256 11819 8621 11697 12949 9844 6632 15303 14295 14973 9223 7666 8063 9110 5305 6854 7497 7771 10561 9486 4915 15281 4306 14550 9176 9344 6028 2851 11789 8741 8922 5510 9871 11974 12602 9677 6120 12074 9203 7845 11656 10990 13592 13955 13552 19602 20599 7909 3249 14454 21195 20357 8402 9572 8418 4370 6248 15317 24514 16725 20557 18549 10989 14236 13369 12192 6817 8843 10320 HMDB02309 C00500 582.246 582.247@5.428428 3236 3682 6049 6372 3389 3655 5317 4966 6418 6345 8098 8859 2077 2698 2150 2344 2272 2116 2268 1512 2381 1811 2821 3106 1309 1144 2723 2590 582.247 Biliverdin IX + 3.9496963 8044 8317 5128 5638 5626 10549 10258 6629 6586 3651 3994 3039 2960 5303 5150 3286 3220 11894 6502 4257 6373 3956 4116 3136 3054 3446 3318 6047 7280 3012 4276 4295 3729 3732 4501 4498 3211 2936 3198 3490 3089 5059 5168 5812 6279 4293 5176 9862 9120 3117 2797 6077 5787 7843 7538 4001 HMDB02309 C00500 582.25 Biliverdin IX + 1.4045436 51412 45852 48003 48240 30016 51025 19113 74919 29026 57185 44152 61254 72380 92743 20496 16794 38546 38055 47980 31253 66558 62243 31939 48440 87522 98909 141555 137789 162185 149163 82068 60613 81356 45591 125648 18631 65193 18223 40345 44593 132740 157658 7201 53041 48553 128349 176894 168199 34425 33503 6642 275560 32282 103546 210996 164089 31185 30113 198934 208149 34081 77270 566041 67418 79155 88188 177201 173401 203723 55343 81590 51105 97123 115365 79299 93669 44309 42682 249707 54230 385538 556452 522593 347463 363837 191465 206523 171450 168327 345520 320779 HMDB02309 C00500 582.2502 582.2503@2.4 6619 582.2503 582.2505@2.742 6227 582.2505 Biliverdin IX 140340 185679 157631 217161 126697 124487 50262 41563 149669 117530 191564 210669 134393 153771 43382 44771 176235 81238 104623 67559 34668 34432 23090 24104 72103 135938 86444 43288 39451 101368 195140 202153 185272 163184 104454 47108 131942 135946 163664 81413 37502 38297 46771 34688 207074 217605 52586 49036 78257 205495 52269 50523 172652 73037 185622 56836 187498 188759 172969 59583 206477 204536 118249 116397 110712 46381 141669 165907 188502 179270 47622 137743 144360 53678 92834 105841 201277 30141 203031 147504 82140 71460 62275 127984 55219 124623 63866 31228 58089 61555 82425 76571 HMDB02309 C00500 582.2513 Biliverdin IX + 1.6236403 103151 103809 135117 113821 115058 103434 9823 59815 72853 59032 81482 92030 126607 129670 42692 45648 88830 81401 75754 72783 42191 44554 47229 46802 77390 81797 88493 71984 71679 75011 118592 134882 85348 153189 73630 76041 60886 49538 131098 95459 82768 50507 57741 99142 130960 69809 65022 73871 70699 174074 93273 88902 93328 91803 74421 75826 121544 119957 71613 63901 62289 660504 57123 66985 70996 74395 106849 347779 78645 87484 51227 61425 62982 70309 31961 68622 110547 142057 180660 190142 161838 152635 127189 122672 119561 112704 149397 162525 HMDB02309 C00500 582.2515 582.2515@1.5845455 51367 15841 10414 84217 3906 350638 66768 61950 68433 37578 35448 582.2515 Biliverdin IX + 1.4682751 167261 186625 182579 173057 172683 193834 69418 124696 93486 127651 129878 339963 324764 113051 109033 142068 144121 72261 88153 348477 328445 136507 113389 67424 378039 377146 49713 212388 49767 162759 156231 28132 86681 94593 94935 66514 36318 95495 56417 272267 HMDB02309 C00500 582.2517 582.2519@1.3186667 4485 9871 198667 582.2519 582.2528@2.0703332 9442 14856 18032 10837 11531 6491 4666 9564 10817 582.2528 582.2531@1.108 13269 7884 7835 2341 13077 582.2531 582.2916@6.401 50409 49861 17864 17721 582.2916 582.3945@1.013 2079 582.3945 582.4051@1.033 2066 582.4051 582.4236@1.0635 2852 1851 6701 5878 582.4236 582.4354@1.137 2895 582.4354 C31 H59 Cl N6 O2 3925 4516 3207 1803 5823 6156 5792 3527 6060 4742 9886 7937 4992 1882 7759 4029 4113 6983 13116 3872 5882 4929 6258 5662 6548 3863 4771 6441 5030 3081 10212 8849 5142 5970 6805 582.4398 582.449@1.0672399 8157 5709 7834 9020 8243 5952 6176 6072 8780 4274 4760 5272 10172 10514 5331 5223 8079 7204 7633 5698 2626 7268 12812 6995 6593 582.449 582.4546@1.0561177 6229 5796 4777 7312 8479 5278 7636 5833 3689 5449 2340 5246 7807 2549 7423 14564 6207 582.4546 582.4702@1.051 6125 582.4702 582.7537@1.60225 14247 3063 3204 6071 582.7537 C12 Cl3 N O14 S3 8141 8469 18545 24974 7907 6394 7465 3582 5685 5707 14616 15065 6400 6850 6898 5308 4882 5661 4211 6692 4694 14419 15820 8311 9195 4199 3700 9401 7930 6165 5927 9722 8730 4753 8708 8381 13883 12496 7191 6637 12193 9945 11190 11888 13728 12718 4320 7781 16097 16046 10301 9538 6081 3203 5174 5790 11428 10045 9420 7221 20010 23594 21434 21463 23393 6421 6707 16489 6455 18803 21529 582.7538 582.7539@1.4925631 14073 14146 41176 35876 9637 11230 9739 12084 11629 11379 34457 32512 4246 4533 11886 9914 9351 10094 6805 7128 3470 8267 7739 9564 6286 9324 8269 22567 20421 15980 14426 8287 8788 7913 7206 14123 16168 10365 9035 14042 14865 5769 5299 16492 17210 19787 7432 13162 13538 20758 21807 17111 17603 26633 27362 10757 8866 19962 18786 4189 4926 19509 20722 17918 16753 5878 5987 5968 4942 9243 7737 18901 19784 24211 22803 24108 44585 44316 53679 53150 11333 10266 6217 15332 47297 42867 582.7539 583.1638@5.611 2820 583.1638 583.1747@5.611 2827 583.1747 583.2463@2.0145 3058 2754 583.2463 583.2553@1.5055 14238 4339 583.2553 583.2558@1.3779999 4595 14566 17263 583.2558 C19 H37 N9 O12 38075 36122 46661 35553 40413 25182 32485 135810 26280 35890 23073 44111 42912 42947 42343 57179 50671 49256 47082 40243 43933 33300 41102 12493 52382 5700 27466 45867 33190 344828 64811 320180 214449 34992 227813 227310 53661 276634 583.2579 C36 H41 N O2 S2 6462 6269 10535 10791 2734 6843 6939 4683 3994 3149 7443 6691 3229 3160 5418 3925 4103 4235 3524 3637 4050 3560 6345 6888 2864 4690 4728 3604 3704 3958 4398 3235 3057 3264 6264 4917 6618 6113 4646 5485 9763 9346 3197 2939 6092 6168 7500 7583 4195 583.2579 583.2583@1.3620001 9287 23205 28663 34748 37544 16151 54009 52268 43404 31271 34978 63065 81650 52529 30644 583.2583 C20 H42 Cl N11 O3 S2 143195 116234 130307 134293 105034 110656 67839 75581 71756 72402 175155 180389 302573 306753 184088 175431 151468 155088 194434 196717 197928 201014 159299 159861 111698 100265 148897 148133 205171 206977 102410 109845 126411 116059 108591 109329 138865 142273 167063 173998 174580 172357 191049 194767 191603 198100 173522 172732 180233 186425 255319 260024 193378 191458 249066 255036 237075 235947 275754 268749 149457 147789 173316 166055 112632 117472 131045 136055 186247 189969 205984 207859 193121 191257 156857 165261 203068 102612 203009 245578 238744 251295 359043 267941 212646 230433 583.2604 583.3405@5.089 8714 7068 583.3405 583.39@1.013 1356 583.39 583.4076@1.119 1666 583.4076 583.4241@1.1875 35219 36359 7094 7849 3448 4174 6118 1873 583.4241 583.4579@1.1754707 6963 2088 8847 3771 3295 4238 2890 5035 3660 3899 3702 1641 7344 9809 3305 3044 7560 583.4579 583.4633@1.1856667 4989 9916 10060 10246 4551 9175 583.4633 583.4647@1.255 3285 7348 583.4647 C34 H66 Cl N3 S 7062 4752 13464 15110 8021 8799 10047 10412 16099 16038 18510 19722 3691 4520 8883 12609 11745 9394 7040 5174 5474 9463 12005 6807 13947 11873 13375 13164 7436 3753 9061 7357 7151 6696 9415 3581 12031 5814 5768 15264 12373 11238 4208 11192 11431 7214 7417 12327 10510 16389 17011 14725 15677 9040 12215 12705 9490 9420 7168 7527 10447 21145 14143 13388 2022 8206 5592 5521 20584 6492 21958 8283 7456 7830 5361 15364 10070 10748 10924 4919 583.4684 583.4707@1.10175 7450 8084 76627 84496 583.4707 584.2547@1.57 2360 584.2547 584.2615@2.175 2480 7466 4687 584.2615 584.2627@2.1979713 12451 10323 6297 4489 21485 19475 15362 14405 7972 6509 4833 6554 22385 22185 7680 7440 10279 8505 6481 7769 12668 13525 10518 10695 7329 10766 8698 9166 13791 10029 8353 16494 16716 9532 584.2627 584.2628@1.3617501 4757 1431 5937 2760 584.2628 584.2641@3.887 2445 584.2641 Bilirubin 53457 185797 151826 39330 38618 15741 40650 219827 249534 38715 74928 75673 41422 41990 43053 47170 21325 21727 120690 102607 36226 112576 99156 31462 70520 119887 156287 38072 40296 39095 44999 49914 98242 64083 85103 76359 145846 54520 137884 69353 131757 216868 86902 59082 56757 39908 114125 127439 97221 87413 57259 183494 67221 2127731 2072455 150183 1810997 866711 856417 58204 1204029 152685 134186 HMDB00054 C00486 584.2662 584.2662@1.1966667 65608 41022 45141 584.2662 584.2666@1.3027666 30733 10703 11775 27766 38744 11326 26450 3592 3489 52608 32718 18511 58721 38280 46139 25397 60819 28677 39242 64450 11008 45862 27534 38167 6575 49088 38051 33833 6993 13546 584.2666 584.2668@1.9219999 4148 6800 6312 4388 584.2668 Bilirubin + 3.949239 131841 135665 247906 248551 146037 144836 42734 42686 116428 114702 140335 145543 297649 304805 42781 42303 184040 182263 108145 108285 42457 41416 61638 60444 136273 125182 59100 55318 73581 70790 310665 310543 156108 151942 63697 62734 58226 56183 117244 114908 73279 74955 84656 83387 173182 184544 62709 61529 105559 101599 73791 71023 107834 104614 69301 68490 72760 71942 74938 73204 169909 169520 209291 207409 60887 59686 161714 166040 310105 295583 66921 66716 57503 56664 50793 51044 151598 34185 147219 215059 218054 110721 40271 38375 22974 21929 8497 7844 14109 14115 19075 19005 HMDB00054 C00486 584.2677 C24 H28 N18 O 1768213 1766694 2307714 2355571 1390782 1374986 796648 802268 1240467 1241055 1533621 1568012 2326347 2309902 1230465 1154356 1479767 1380469 1907069 1912269 1301172 1285298 897116 895598 1202900 1215920 1090699 1078684 1254352 1379020 1742630 1851744 1640653 1622857 1150784 1147481 1124747 1057308 1991853 1954538 1458857 1475565 1404667 1402887 1928441 1938640 1421574 1326422 1543632 1450972 2254763 2124167 1453840 1452917 1802603 1911024 1655359 1636630 1838051 1763329 1751627 1690143 2312833 2306095 1066834 1074395 1693817 1599123 2163017 1992551 1477114 1493108 1257453 1245426 1199042 1206597 1638560 1214051 1630093 2243999 2058314 2235636 1671645 1145897 1642553 1634586 584.2696 584.2878@4.65 3524 3729 584.2878 584.3943@0.9945 3395 2868 584.3943 584.4128@1.1183333 1909 6215 1821 584.4128 584.4216@1.21 3775 584.4216 584.4399@1.132 1384 584.4399 584.4645@1.1316363 1857 3602 1595 3429 1803 1485 2002 1683 3535 4318 7857 584.4645 584.4666@1.1146667 6227 2483 3585 4425 3879 2738 12823 5247 1795 584.4666 584.5511@1.042 4198 584.5511 584.562@1.041 8558 584.562 584.6393@1.063 1910 584.6393 584.6875@1.058 2461 2536 3928 584.6875 584.6992@1.0736667 1108 1212 1741 584.6992 584.7059@1.043 7680 584.7059 584.716@1.0660001 1744 1121 5532 9601 1336 1448 584.716 584.7628@1.0489167 1772 2733 7113 5838 3737 4309 11907 8808 5275 10385 7000 12929 584.7628 584.7652@1.0453846 12448 5665 8533 4383 7072 8570 6254 10663 13202 5475 9840 7321 6712 6458 2661 13322 12893 7543 11772 8586 5935 2953 13743 15873 10092 5363 584.7652 584.7817@1.0496 4626 12012 1205 2533 5420 584.7817 584.8093@1.0576667 1110 6900 2844 584.8093 584.8284@1.05625 5362 3347 2226 3631 584.8284 584.8332@1.079 1553 584.8332 584.8519@1.0525 2227 6131 8593 4723 584.8519 584.8608@1.0586667 3903 3899 3151 584.8608 584.8748@1.0500001 4659 2577 3387 584.8748 584.887@1.0546666 1270 4213 11945 584.887 584.9045@1.0516667 2067 5768 5721 4228 3638 6974 7273 1554 584.9045 584.9073@1.049 4963 3503 7195 3231 584.9073 584.9234@1.048 3303 584.9234 584.9417@1.0485 2883 3446 7354 5050 7577 3047 584.9417 584.9479@1.05925 4103 1825 2209 1821 584.9479 584.9639@1.082 1143 584.9639 584.9762@1.0534 1700 1710 3203 2400 4058 584.9762 584.9832@1.049 4870 584.9832 584.9981@1.048125 6864 3600 1787 4663 6108 7075 3311 6589 584.9981 585.009@1.0501667 6037 1152 5401 6983 2744 2731 585.009 585.02@1.062 1520 585.02 585.039@1.0466666 9394 4251 2114 9577 9540 5870 585.039 585.0518@1.052375 3891 3278 1254 6762 5357 1695 3027 1402 585.0518 585.0568@1.056 4668 585.0568 585.0673@1.04775 3552 10645 5122 6548 585.0673 585.0773@1.0456667 7777 2727 3234 585.0773 585.0897@1.055 2436 1308 3980 585.0897 585.1074@1.0565 2112 5758 585.1074 585.1167@1.065 3211 585.1167 585.2654@1.4753333 3137 3301 3258 585.2654 585.2704@1.2354287 4590 13494 12359 21262 14811 15086 2644 2948 8603 5398 16562 2068 9463 8088 585.2704 C31 H43 N3 O8 4550 4799 5286 4948 5032 6090 4363 4938 5579 5214 6466 6675 6914 6849 5465 5585 6294 6101 7456 7203 5215 5414 4016 3887 8095 7734 6736 5925 5936 6517 5379 4763 6003 5172 5221 5559 5053 4434 6665 6937 6405 5942 7742 7539 6283 6454 6888 6800 6491 6333 6941 6751 6421 6921 5631 5869 6779 6490 7949 7960 6223 6403 6474 6470 5637 5626 6694 6509 6782 6889 6726 6821 5337 5494 6178 6309 5883 5398 7592 7120 7293 6712 7001 6768 6847 7399 7366 8846 8001 6216 5898 585.3063 585.333@1.829 7701 7905 585.333 585.3554@4.886 5270 5104 585.3554 585.3965@0.996 2427 585.3965 585.4024@1.13 2277 19644 18517 585.4024 585.4119@1.102 4714 2153 3361 2687 585.4119 585.4232@1.0955001 2372 3947 1921 2806 3282 2793 1796 4045 3264 2776 1734 3471 1129 2912 1204 2198 585.4232 585.4419@1.1028181 4096 2091 1473 2143 2790 1570 1999 2489 1737 2312 1898 585.4419 585.4502@1.1064 2222 3307 2836 2995 3783 585.4502 585.4776@1.064 11512 3672 585.4776 585.4861@1.0674211 16480 2525 4799 9065 4726 4684 8981 6934 3795 4473 7981 10742 14762 10627 7408 6425 9803 6958 8638 8286 5164 4960 6485 7655 15324 10578 11778 7667 14231 16516 8892 8671 3777 5985 15222 3166 5681 4588 585.4861 585.4987@1.0663999 23803 5084 13128 6197 21861 585.4987 585.5707@1.044 3608 585.5707 585.635@1.048 3040 585.635 585.6557@1.0546666 3166 1477 2757 585.6557 585.6719@1.057 5680 585.6719 585.6804@1.0474999 3260 2860 585.6804 585.6982@1.0493335 4934 2324 3609 585.6982 585.707@1.0467777 7817 9419 5457 3364 4230 2816 5003 8308 3178 585.707 585.7168@1.049 1906 1197 3472 2932 4887 5087 3431 5842 4225 585.7168 585.7598@1.045 1725 3453 5523 585.7598 585.7733@1.0476 2942 4305 3048 7584 2996 6456 3062 7018 2166 585.7733 585.7813@1.0455 3275 1845 6937 3952 585.7813 585.8017@1.0566667 1298 1987 2882 2719 5307 2105 1516 2430 1126 585.8017 585.8132@1.044 3661 585.8132 585.8213@1.0552307 2631 2584 2441 3320 3447 4000 2768 3373 1607 1819 3489 1210 3527 585.8213 585.8366@1.0550001 4591 3219 585.8366 585.8501@1.048091 2279 2966 3621 2607 2009 2707 5291 2606 3942 2679 585.8501 585.8551@1.046 4156 4327 585.8551 585.8634@1.0469999 3057 4156 585.8634 585.8794@1.0465001 2415 7186 6781 3652 6041 5893 3271 2105 585.8794 585.8823@1.0465 1903 4905 4550 2386 585.8823 585.8947@1.056 4036 1677 585.8947 585.8989@1.0439999 1641 5820 5975 1111 585.8989 585.9164@1.0460001 3225 2496 4964 4771 6158 585.9164 585.9319@1.0405 4533 3267 585.9319 585.932@1.0507499 1007 1478 2647 6346 2668 1500 2458 5212 585.932 585.9505@1.0494286 3212 1143 4341 2101 2836 2413 5241 585.9505 585.9599@1.0445 3876 1655 585.9599 585.9724@1.0502 2280 1785 2603 1978 1403 585.9724 585.9828@1.0498334 5007 4143 7336 2863 3110 1547 585.9828 586.0048@1.051625 3794 2704 3933 2019 1526 2485 3237 586.0048 586.0074@1.051 2964 2719 1442 2949 3951 586.0074 586.0251@1.0445 4454 2558 2455 1094 586.0251 586.0445@1.046 1284 5237 4204 2386 2346 2863 586.0445 586.0516@1.0527142 3472 5489 3124 3706 3572 1793 1643 586.0516 586.0689@1.0476667 2958 6112 3353 586.0689 586.0713@1.0471429 2769 3437 3292 2719 3684 2836 5700 586.0713 586.0889@1.042 1847 3756 586.0889 586.0946@1.049375 2384 3348 1428 1516 3618 3812 1358 2994 586.0946 586.1109@1.0509999 1704 2928 4158 3315 586.1109 586.2828@1.1246667 3240 4453 58141 9637 9562 36358 37922 15358 14848 586.2828 586.2845@5.3275003 3943 4191 586.2845 586.2929@2.099 2191 586.2929 586.3393@1.43425 10618 11018 4148 3818 586.3393 586.3699@0.7368571 11416 11570 4631 4790 2447 3678 3234 586.3699 586.3743@1.013 6273 586.3743 586.3828@1.005 3194 586.3828 586.4123@1.1192857 3697 2285 6371 1969 15698 3213 21029 586.4123 C32 H55 Cl N8 37178 18083 5256 4680 24790 2954 19266 100178 27597 22516 24562 9179 21704 21071 32329 13714 33625 6016 28852 29495 21092 15322 12671 18209 16091 9077 11433 19480 15697 18860 22485 17520 18508 17255 19297 13572 19628 18884 22408 19750 20563 4000 38129 20038 14414 8512 18013 19651 1272 19057 26780 13100 16232 16115 586.4252 586.4292@1.139 18368 586.4292 C27 H50 N14 O 142468 13711 31879 59334 16889 130855 22995 32252 13956 11723 46863 55928 55411 6709 27190 33813 31617 22803 129324 37307 35314 41016 51407 94506 12540 1882 40174 31857 161271 23070 24490 39761 13853 39592 27344 68945 586.43 586.5956@1.036 1682 586.5956 586.6256@1.045 3232 586.6256 586.6638@1.0439999 1777 1630 2373 3886 2097 586.6638 586.6927@1.047 3664 586.6927 586.7037@1.055 3206 586.7037 586.7144@1.053 3431 586.7144 586.7264@1.0457499 2555 2074 1674 2352 586.7264 586.7526@1.047 2033 586.7526 586.7638@1.054 2612 586.7638 586.7726@1.0480001 2257 3040 586.7726 586.7991@1.0467501 2036 3800 3246 2883 586.7991 586.82@1.047 2102 3240 586.82 586.8279@1.055 1470 586.8279 586.8469@1.042 2071 586.8469 586.8516@1.0456667 2453 1976 1773 586.8516 586.898@1.046 2782 586.898 586.9317@1.0475 2478 2904 586.9317 586.9403@1.043 2971 586.9403 586.9809@1.043 1175 586.9809 587.0112@1.049 1986 587.0112 587.0298@1.046 2276 587.0298 587.2666@1.1365 7623 6053 587.2666 587.2864@1.1241666 3120 5990 7610 7586 2894 3196 587.2864 587.2888@1.128 27113 18945 19009 14745 15019 2240 3921 587.2888 587.2914@1.7115 6973 5900 587.2914 587.2982@1.13 1787 587.2982 587.367@1.018 2198 587.367 587.4064@1.2011666 4101 4643 3035 4943 2941 4366 3260 5226 3637 3583 6791 7301 587.4064 587.4343@1.0553334 8360 11724 587.4343 587.4399@1.0643333 5937 8861 2222 6431 3238 3890 587.4399 587.4965@0.966 7088 587.4965 588.2727@1.0887778 5604 6130 5371 10505 10033 10155 8544 8553 7993 588.2727 588.2866@1.047 2105 588.2866 588.2934@2.0205 8814 10736 9857 7813 7127 7652 8603 7285 588.2934 588.2958@5.008 4647 4786 588.2958 588.2979@1.9103333 5862 5333 9619 588.2979 588.2984@1.33125 69674 67919 5446 6428 588.2984 588.2995@1.1508334 48605 29338 24309 28604 4365 1764 588.2995 588.2995@5.3408 4115 12631 13585 4863 5751 588.2995 588.2997@1.1525713 2745 133110 127298 29008 23294 88975 87520 10331 11717 39902 40063 2265 1971 7114 8693 6204 9549 9161 3546 3528 588.2997 588.3138@1.141 2697 588.3138 588.3226@1.148 1750 588.3226 588.3577@1.433 3752 3788 588.3577 588.3758@1.143 2042 588.3758 588.3958@1.0936 2417 2698 2936 2650 1440 588.3958 588.4093@1.1525 1903 7712 3146 2444 588.4093 588.4199@1.136 3314 588.4199 588.4355@1.13 26668 2105 9976 4407 10997 27253 2052 13865 588.4355 588.4426@1.0786061 6891 9364 8347 24805 4282 199682 187313 359262 20587 90687 49697 136571 7106 7201 7789 298880 9137 11197 24599 25814 38065 12438 14372 4396 8500 25939 224567 214547 31851 374969 19910 35044 7263 588.4426 588.444@1.0703334 17938 26314 8965 588.444 588.4541@1.0415 4804 20989 588.4541 C20 H19 N19 O4 3082 3091 3888 3765 2963 3072 1414 1388 2803 2237 2059 1861 1588 1708 2056 2434 3445 3882 2601 2467 3141 2672 2776 3267 2114 2413 1613 1339 1298 2791 2128 2092 2147 2422 2306 3637 3660 3759 4016 2438 2302 1885 1601 2650 2948 3319 3276 1770 2264 2743 1749 2449 2412 1958 2337 3541 3603 3711 2757 3326 4791 4359 3225 3002 2957 2488 2859 2864 2755 3314 2890 589.1879 589.305@1.1824286 13152 5696 7717 8428 10216 9295 5720 589.305 589.3062@1.348 5142 589.3062 589.3068@1.718 14154 4684 589.3068 C27 H49 Cl2 N7 O S 3202 2656 3163 21282 7273 7286 9246 9538 3718 8058 7907 38822 36985 3527 2681 4295 4094 4649 4673 6560 6469 5266 5259 3173 2818 4500 4851 3851 3894 4525 4146 5223 3640 5497 6350 2800 2049 8815 5274 589.3115 589.3195@6.3763127 1691 3835 35711 57445 54809 38492 40780 17084 33648 37777 24370 3930 43868 31503 18708 18412 589.3195 589.3196@6.3967333 51221 31527 34974 53389 59646 63225 60477 55354 42788 31269 17762 33812 103596 53396 23958 589.3196 C26 H55 N9 O2 S2 13217 13117 2963 4347 25058 25332 57199 57723 14557 13528 38779 38446 41938 40494 5755 5786 7294 7954 6060 5870 17496 18275 20593 21438 18937 17663 3176 46241 46964 4139 4702 24907 24863 3254 10412 10129 4081 4280 589.3914 589.3971@1.0074999 2817 2622 589.3971 C20 H47 N17 O4 10374 9530 5273 4079 38604 37479 14671 15070 10815 10540 8901 9851 56051 54804 165382 167958 11156 11377 47595 48626 42061 41093 62846 64669 4563 7138 24421 24257 26358 25490 14950 13995 26043 24518 18234 19388 19692 21373 55461 53894 11305 12549 5219 6439 24833 27261 10280 11940 9950 11020 65192 68105 11142 11614 11770 11188 7644 6546 13166 14528 13009 13649 32815 31920 7109 8018 7084 13509 14156 16833 16106 10373 9333 589.3997 589.3998@4.278 2800 589.3998 589.4003@4.255636 11935 7733 14178 15863 2711 4232 7097 10582 11793 7721 5974 589.4003 589.4084@1.277 2175 589.4084 C33 H59 N5 S2 23108 24088 16504 17448 32637 33003 21635 20822 26609 28019 9282 8789 14182 15374 8866 8727 20271 18844 197143 192201 25427 24596 42258 39469 32876 29617 76365 70005 6639 21868 20039 29920 31029 14444 14166 25102 24347 24408 21023 43305 44476 13889 12410 32349 32148 45140 49868 17362 17210 16919 16456 54284 58977 18387 18587 14096 13722 68869 67685 15566 16616 28048 28301 15699 16097 13458 22696 22678 22598 15474 14485 15867 15610 13694 13581 9326 8863 20394 6780 10273 10832 9313 15111 14863 15320 10375 23595 22012 16157 16517 589.4228 589.4233@1.5443333 1420 2854 6335 589.4233 C29 H59 N5 O5 S 133196 137419 119492 119512 213300 211457 120162 117524 164385 167160 58037 59965 58292 58148 51262 50313 124872 123369 1205902 1200443 141993 141254 250319 244255 182967 186107 492155 483891 40746 41013 121608 120157 192369 191623 90913 89436 159632 159557 137114 135396 272127 277301 73352 76061 202471 202341 301614 299263 99769 99622 103312 101594 370811 369302 108265 107845 86937 457751 457012 100071 103467 166977 170115 97554 99627 123464 126458 136858 127560 85293 84011 94301 94073 81062 56378 54011 59138 113923 112615 60558 58949 58742 88010 88957 86377 82340 135965 132407 97496 96289 589.4241 589.428@1.1761667 5733 19932 18292 2222 7548 3339 589.428 589.4409@1.1016666 3069 6596 4701 3410 3655 3550 589.4409 589.4419@6.4096003 4140 2726 1166 1492 2152 589.4419 589.4467@1.1008571 4106 6323 1952 2789 3984 4016 10746 589.4467 589.4617@1.0654999 9828 6314 15558 2948 4515 9244 15399 5918 4260 10911 15455 3370 589.4617 589.4653@1.0445 6636 22521 589.4653 589.7082@1.2028 4778 2575 2047 2375 3502 589.7082 589.7256@5.8393593 8463 9435 3179 3403 1951 20447 20749 45418 45974 10923 11843 31260 30031 34022 32586 3864 4079 6671 6120 4114 4456 14826 14354 16267 16067 13749 14820 2752 2535 37026 38094 3814 3346 19679 20252 2353 7861 7484 2857 589.7256 589.8354@1.204 1604 589.8354 589.9006@4.259375 5223 6318 6818 8465 4776 6193 6840 4839 589.9006 C24 H2 N2 O13 S2 5392 5393 22237 21530 9602 9105 7131 6397 6118 5970 30591 30353 94109 92858 7475 8554 26547 28243 23248 22747 37186 35328 14987 14358 16024 14865 8706 9579 16107 15661 9334 10366 11601 10804 31371 30842 8096 7436 2793 14852 15286 5787 5063 4697 5663 37154 38631 6309 7188 6524 7145 4573 4325 6848 8030 8405 7084 18981 17887 4199 6013 3772 8136 7219 9727 9815 5424 6369 589.901 589.9232@1.202 4558 589.9232 590.0432@1.203 1523 590.0432 590.0596@5.8395925 5838 5368 11867 11797 26649 27733 6203 6438 16904 16952 19162 18389 3577 3071 2071 8753 8611 10109 10025 8256 7294 18795 21571 11515 10309 5020 4788 590.0596 590.1699@1.201 2809 590.1699 590.3084@1.381 4496 8677 590.3084 590.3107@2.049 11286 10438 7629 590.3107 590.3129@5.354 3450 590.3129 590.3143@1.2245238 34914 98917 26369 3605 250830 33753 38619 104029 7256 84848 82685 1942 20354 5125 22955 10410 22718 6804 6961 6538 590.3143 590.3143@1.3408333 601732 396951 29037 313167 388197 84493 83487 3737 7592 6968 10429 4465 590.3143 C35 H47 Cl N4 S 9786 26106 8006 8738 6148 6353 6369 6751 4136 403239 396676 6037 5126 37854 13425 51527 17464 46084 3636 2871 9923 9003 30562 241126 2649 3300 58011 54452 6049 5871 6092 6166 14635 12413 13282 12680 32715 30820 6993 7074 4835 4708 11279 10757 9410 8094 15695 12726 34137 35962 7470 8072 8282 9110 25303 26300 22716 2175 2715 1952 3671 20343 22676 3908 2768 590.3161 590.3305@1.1582501 4107 3364 6408 1654 590.3305 590.3546@1.156 1286 590.3546 590.3854@1.005 7684 590.3854 590.4151@1.1326667 1478 2027 2734 590.4151 590.4211@1.1204286 23397 20326 1940 2081 2449 1860 2270 590.4211 590.4267@1.589 5711 5441 590.4267 590.4343@1.1308 3650 2348 2531 3482 1579 590.4343 590.4477@1.134 3038 590.4477 590.4577@1.0894376 6227 12463 13267 4158 4066 4664 30210 13337 14833 5724 7361 9370 7552 10154 120339 6802 590.4577 C36 H62 O6 138959 57271 169739 170049 86809 247171 252989 169347 95556 73251 129026 105563 39268 34606 97328 115290 82504 83137 88612 95930 285214 121680 82586 76824 65341 6149 156318 157475 45773 189064 383001 99374 63520 138893 164637 84552 88103 75640 53338 186918 109697 207093 219058 82584 81945 109829 1533 92457 136660 258155 222698 97377 301574 179611 27170 162169 194228 555918 60418 19994 16913 140047 67433 57887 147721 144983 450809 113923 50090 59494 590.4594 590.7245@1.204 5606 590.7245 590.7792@1.2 4102 590.7792 590.8392@1.209 1159 590.8392 590.8505@1.207 2856 590.8505 590.934@1.2 2621 590.934 590.9458@1.204 1642 590.9458 590.9667@1.204 2151 590.9667 591.0263@1.203 2574 591.0263 591.0498@1.203 3925 591.0498 591.1251@1.0325 5866 4569 591.1251 591.3152@1.155 6040 591.3152 591.3168@7.1439996 7788 8252 2795 591.3168 C28 H46 Cl N9 O S 5200 8137 7723 5603 5307 20661 11374 13693 4571 4833 9798 9964 28906 33105 2907 2721 9877 12626 5217 5656 4427 4786 9052 10177 1892 1925 1801 5961 5678 591.3217 591.3319@1.632 4771 5199 10147 9787 30768 27059 9579 12563 4883 5588 13967 13204 21911 20284 7303 8250 5836 6262 591.3319 591.3325@1.5109999 4997 4396 591.3325 591.3339@6.39635 16417 15322 15021 17080 10486 4392 16646 25104 24986 16077 1221 14232 16680 18320 15599 19819 19092 25499 10375 10099 591.3339 591.371@1.079 22812 23901 591.371 591.389@1.255 2028 591.389 591.4547@1.2 2599 591.4547 591.455@6.37 4514 591.455 591.4635@6.378259 4386 3984 6230 7225 3583 3302 3916 4939 5149 2873 13697 13913 7967 5595 3916 3569 6308 5714 3432 3667 3134 8540 8939 3570 5007 4547 4990 591.4635 591.4737@1.073111 16285 40220 2205 36711 2412 28524 64717 34493 17966 591.4737 591.479@1.0425999 37292 6274 38217 9495 10838 9538 4564 25172 10745 42906 591.479 591.8814@4.4145 4127 3891 591.8814 592.2611@1.1306666 2415 2980 5636 10385 18288 18643 8598 8234 9227 3151 6110 7478 592.2611 592.2692@1.1365 1531 3345 592.2692 592.3271@3.0245 6543 8106 592.3271 592.3288@1.1947501 2023 2470 1421 49976 5731 4334 5879 5707 592.3288 592.3293@1.3885 47049 10932 592.3293 C26 H56 O10 S2 13124 33544 49976 3305 55978 19285 9276 55031 84414 12250 9471 17803 44745 257580 49625 132310 23760 42247 11235 24408 96261 103314 3343 4898 106985 59674 11575 7248 23644 19333 21973 25506 10905 13978 13405 77327 54635 22688 47853 52168 102781 75008 77829 53398 36952 38937 40484 6099 10321 592.3295 592.33@1.4269998 3437 5777 6812 4743 15807 42155 3426 5969 27201 6013 7913 59380 50819 24886 6355 31609 4548 6083 67040 53865 25473 23081 129484 83464 97566 35218 12289 11314 592.33 C35 H48 N2 O4 S 10410 21717 21007 7072 9712 1571 1719 39879 11840 16366 6008 12382 10977 52030 3260 3405 28261 24359 3801 3141 2207 8537 8121 7153 6984 1877 2516 19282 20161 4741 4750 592.3304 592.3319@5.712667 3652 6608 4779 592.3319 592.337@6.4005003 2881 8597 592.337 592.3814@1.009 1945 592.3814 592.4178@1.145 1863 592.4178 592.4325@1.15 2675 3043 592.4325 C25 H56 N10 O6 5209 4216 7870 4000 3331 11852 11203 6236 9106 6726 1941 5051 4891 10176 4791 5788 6086 6415 3729 5378 5718 5538 3031 1448 3231 3033 2452 2786 5338 2497 1655 5373 6991 5211 6916 5746 5573 3533 4219 6133 8401 8078 15346 13821 18159 16552 12175 7834 5211 6230 592.4404 592.4404@4.12 12329 2458 592.4404 C26 H52 N14 O2 8867 9491 10467 4890 6232 12978 2517 4823 9984 5668 10457 9856 3722 5791 13707 13331 12859 11528 13510 8093 12337 5742 10737 11657 8688 5561 9548 9952 12005 10000 13290 12707 5235 13733 3764 8849 13857 16837 9165 7626 6925 6549 10002 12672 4385 2609 6123 6657 9279 13049 8848 3271 8413 6824 9076 13210 19197 21121 14109 3036 12492 12496 10618 7957 592.441 C29 H60 N4 O8 12106 5139 2521 15680 10605 5788 7205 3593 9059 8217 13569 3310 8600 11235 11243 11693 9145 10639 9126 8272 8206 15599 13578 2490 11646 8623 2756 10523 9104 5918 4973 3840 11931 8770 4118 8990 592.441 592.4435@3.996 3223 592.4435 592.4601@1.1703333 4103 6235 17935 592.4601 592.4711@1.1096666 74629 18845 21832 6930 11436 12169 4975 1964 17740 20711 5340 8319 8499 10133 2040 23625 12434 592.4711 592.4728@1.0731333 338051 880805 177094 154530 17319 147800 164718 12702 125901 14944 11341 9523 33251 95574 60275 592.4728 592.9424@4.165882 4765 6194 7204 3382 4225 2066 2028 6112 4218 2871 4037 5102 4965 12159 2131 3021 7732 592.9424 C18 H11 N O18 S2 7211 8365 3185 6187 3573 4955 3721 4904 5288 5031 5372 3271 6985 3979 8855 5600 7085 4686 4571 3106 5973 5776 7879 6131 4740 6870 6195 5578 6500 5390 6612 6955 7954 6519 8355 7380 8121 8196 7197 7380 3667 8527 5635 5854 6773 5295 5368 5005 7230 6041 7836 5268 7749 18462 4596 5071 8040 4393 6501 8162 1896 7457 4076 7359 592.9425 592.9864@1.059 3400 592.9864 593.3326@1.3544285 5673 15479 60741 16434 8744 4145 5380 593.3326 593.335@1.364 3146 4525 3477 593.335 593.349@6.3762674 3663 3787 4121 5067 5045 5995 5911 3852 5221 4765 3104 7896 8143 4310 4501 4571 4765 4402 4362 4910 5069 3867 3491 4317 4901 3387 3524 4929 4735 4740 4866 7654 7708 4628 4396 10178 8362 8046 7971 8842 9056 593.349 593.4021@1.2045 2109 2369 593.4021 593.4703@1.1085 4120 2403 593.4703 593.4757@1.0975001 4149 3509 593.4757 593.4797@1.0707893 39623 43619 69520 9533 30297 27374 17089 59368 4552 3210 20583 43066 43565 7264 65558 118063 46930 7028 21616 593.4797 594.1728@5.166143 4276 2703 1747 2974 2500 2454 1547 594.1728 594.3334@1.038 1851 2766 6862 6640 594.3334 C30 H59 Cl N2 O S3 186375 190792 41817 160472 81098 16437 5344 148508 114603 24051 118507 48095 11751 10035 197009 192112 3877 3126 5118 7830 6833 13765 2609 6214 17080 26451 13269 15063 3804 46943 54891 4658 29497 29376 31796 20032 27132 14841 594.3447 L-Urobilin 132032 107975 8012 8273 31271 28000 11056 11335 29956 15474 37109 37953 8168 21572 121358 103799 16610 16421 67287 86513 244056 240995 16836 154318 160463 17033 11784 9466 10970 6633 11228 5129 8915 5663 3845 14522 2618 26238 13974 5126 11458 10821 18385 10733 55751 55372 20296 21923 16704 17387 12464 17740 5410 51398 11674 HMDB04159 C05793 594.345 594.345@1.4905 10972 28775 594.345 594.3463@5.7086663 5459 5395 9219 8873 5618 6112 594.3463 594.3624@1.209 1674 594.3624 594.375@1.2048824 2663 2809 1716 3278 6855 6294 7468 3206 2619 1906 1927 2609 3214 2029 2995 1650 1428 594.375 594.3856@1.217 2499 3879 594.3856 594.4768@1.148 3398 3424 3920 3982 594.4768 594.485@1.1008205 8540 5711 10542 14720 31249 41615 24761 17431 22896 26027 9225 7259 3129 9251 7560 9030 9239 3283 4881 11468 2680 8097 34767 3853 7537 7204 24520 56259 6866 18852 29524 183003 180203 218548 218340 254915 297846 252635 4913 594.485 C36 H67 Cl N2 O2 189455 110752 682095 658123 232963 182681 217947 127144 501416 467108 236820 241861 327004 342157 140526 75463 265812 314723 640232 399848 320610 319467 202040 236972 233113 149167 148732 402722 324001 328850 249267 373756 366450 123936 236952 242483 420291 414659 289358 26444 320690 294704 274700 222183 488295 295890 594393 523327 209899 254832 261288 213946 279812 1030315 574733 362338 371668 168955 2979 4158 245612 594.4908 594.7645@1.054 2472 594.7645 594.7774@1.058 1781 594.7774 594.7832@1.0545 3013 3381 6675 4733 594.7832 594.8186@1.052 3568 594.8186 594.9912@1.05 4697 594.9912 595.0013@1.054 3369 595.0013 595.0696@1.056 4031 595.0696 595.2065@5.6159763 2245 1607 2490 1894 2699 1584 1673 1477 1557 2430 2067 1927 2344 1761 1653 1681 1896 2226 2409 2631 2434 2169 1799 1726 2086 2139 1867 2222 2078 2088 2137 2499 2191 2312 2198 1874 2042 2084 2476 2110 2083 595.2065 595.2118@1.055 2075 595.2118 595.2896@1.174 35235 15808 595.2896 595.3058@1.278 3792 595.3058 595.341@1.314 5517 595.341 595.35@1.3526666 20773 15053 4079 5699 5945 8433 13732 39150 9175 4138 3959 21505 2893 11619 11804 5542 5598 595.35 595.3675@6.344 8270 10420 595.3675 595.4103@2.6275 5284 5211 8987 8642 9391 6732 595.4103 595.418@2.703 5657 595.418 595.4881@1.1118 3131 2535 42178 2301 13789 8481 2808 12580 2160 112262 595.4881 595.4936@1.0697501 103901 67611 65323 42563 1888 171039 2997 140793 126248 159023 51744 65603 53771 80300 79880 61436 67469 165382 164829 105012 595.4936 595.5046@1.2016667 2383 8008 5218 595.5046 595.7099@7.84 2351 595.7099 595.8572@1.046 1550 595.8572 596.228@1.188 5454 596.228 596.2296@1.197125 1256 2567 1455 13454 15415 34240 7651 7350 596.2296 C26 H38 Cl2 N8 O4 5380 4189 5423 8168 7226 5535 3776 5440 5059 4542 4566 12235 4669 8071 4399 4503 5239 3950 6071 4657 4563 3942 3546 5939 4922 1830 2248 7736 6706 6240 8889 9969 7662 4805 7129 7770 31908 7051 3666 4305 4080 3562 3535 5517 31968 3363 4443 4439 2406 9657 9182 11051 10218 9141 10984 2263 7589 7064 7754 596.2369 596.2451@1.1585 2784 4156 596.2451 596.2535@1.1565001 8675 2731 596.2535 596.2691@1.1306468 2017 3762 5505 3652 17236 4050 1967 4446 4918 6213 6681 11468 3911 3153 2733 2248 12356 596.2691 596.2788@1.141 49183 2008 1633 8047 596.2788 596.2851@1.1005 12741 10468 8391 8328 596.2851 596.2968@1.1008462 5207 6642 2864 7528 9156 8910 11704 11151 1718 15748 16015 27369 27548 596.2968 596.3235@1.2346667 13696 13348 9513 596.3235 596.3469@1.3153334 3005 14940 10126 596.3469 596.3581@1.509 4577 596.3581 C34 H52 N4 O S2 32892 15375 18419 91182 49899 20870 18806 26457 47506 7965 7916 106453 80643 23827 26817 43690 21957 16637 20217 8614 15773 11261 29295 8912 10056 7705 11961 37648 47303 33181 7363 15545 65166 53776 16279 17590 596.3595 C27 H44 N14 S 37542 38798 120292 38190 34475 21686 42584 67559 114348 118902 15101 129583 131768 258310 28571 29464 69805 72036 83243 19929 24518 32500 32137 41701 30056 12642 42766 22361 42733 33090 19090 20532 75385 78564 23124 22569 21760 30171 65253 65105 24107 20244 7262 596.3601 596.4077@4.386625 4023 3016 12253 12495 4608 4373 4833 4462 596.4077 596.4159@0.997 4894 5124 596.4159 596.4517@1.084 7486 30992 596.4517 596.4683@1.125 2458 3772 596.4683 596.4819@1.15125 3133 2493 5285 3074 596.4819 596.4925@1.041 14442 596.4925 596.501@1.0550001 63873 63436 29500 58415 63188 61917 596.501 596.9095@4.38725 6927 6980 2168 2414 596.9095 597.2378@1.2861112 4569 4419 3390 6691 7060 6307 6132 4379 5393 597.2378 C18 H47 N9 O3 S5 4092 4629 2626 7508 7132 5944 6294 6259 6020 4690 4833 6165 6010 4276 4372 5658 5460 4927 4163 4159 3235 5122 5192 5605 6999 5551 9231 10944 11840 11330 6089 5434 9061 8875 5237 4366 3519 4109 3933 3885 4169 4181 11310 10673 12722 12571 7618 10283 11875 6604 7015 7536 597.24 597.2506@1.1784999 3507 1553 597.2506 597.2762@1.1077499 3913 4409 4183 3262 597.2762 597.2893@1.101 597.2893 C43 H39 N3 2701 2758 2699 2355 3399 3809 3134 3268 2428 2883 2738 2205 2662 3198 3279 2780 2877 2752 2956 3136 3050 3381 2871 2809 1969 2995 2570 2857 2526 1982 1946 2794 2447 2973 3102 1704 597.3129 597.3613@1.504 7441 597.3613 597.3636@1.3965555 11141 4206 54168 4047 4864 14776 7594 9446 5648 597.3636 597.3966@4.5004997 5871 6305 597.3966 597.4349@1.023 1668 597.4349 597.481@1.203 5035 597.481 597.4871@1.0899999 2044 13277 597.4871 597.4959@1.0530001 5989 5956 2952 11256 10777 12901 597.4959 597.5021@1.0564705 15008 15710 5890 10907 10880 28043 19415 19777 13374 14386 30219 11716 94154 74854 26892 12542 597.5021 598.1975@3.768 8967 8717 81998 82707 598.1975 598.2426@1.7620001 8877 6915 598.2426 598.2428@2.041059 6960 7459 8402 8195 4426 8258 8271 9286 6996 7979 2765 9485 7358 9970 8926 10176 598.2428 598.243@1.1748 3650 3369 2800 3504 35854 598.243 598.2456@1.369 1702 3581 2611 5324 8003 598.2456 598.2472@1.4878846 12486 12516 10007 10051 13439 12947 3785 11240 6497 5506 7915 5278 6488 10638 12777 7728 11850 10273 6906 6267 15345 14608 8025 9582 6856 598.2472 C39 H38 N2 S2 17136 14676 11861 16686 15872 6426 12547 15768 22745 21925 13323 13129 37288 36766 23751 22127 22002 24148 13717 13257 17801 26500 24630 25787 13650 14634 35158 35229 15673 9439 9275 10827 11625 9333 18412 13021 23336 23370 17010 17197 30225 30910 21105 19002 27169 27310 32831 31508 48635 52590 28635 28767 36110 28642 20489 21170 20465 14030 17486 11338 11154 20763 20052 27063 17088 16454 15163 15032 6695 6899 39806 4476 44564 48303 47878 31390 4600 36365 14380 15961 16392 13033 12712 20207 24342 598.2478 598.2478@1.492 6635 598.2478 598.2665@1.19 61509 598.2665 C36 H48 Cl2 O S 5929 7547 5744 8576 6191 2501 5858 21098 4215 2589 3810 3539 3497 8741 10530 14342 5776 9448 17540 11800 3010 3677 4471 4629 3375 2868 9634 13539 1985 11613 17633 7056 6066 9058 4826 18692 10220 3324 19399 6914 6697 10686 10087 5455 8109 6361 6715 598.2835 598.327@1.3623333 10643 6593 4315 598.327 598.3505@1.3782499 14257 8215 7572 8770 598.3505 598.3599@1.4665 12424 6607 598.3599 C24 H50 N14 S2 10348 9225 7528 7505 12970 12783 5268 4669 10292 10898 9189 9361 5532 5078 8935 8866 23653 24933 44642 44355 10023 10139 18725 10652 19599 19851 28241 27327 7173 7037 8389 12678 14342 13667 7592 7806 15569 15253 10586 11097 15181 15554 10376 10182 16486 16506 21897 23898 10857 11086 10768 10111 20271 19945 11869 11761 12202 12104 24128 24467 8309 9094 2747 9128 6523 7977 11041 11093 9113 8888 8321 7562 9505 9676 5029 9806 8283 12895 12964 13227 8770 8878 7324 9512 9797 8885 9683 10844 10843 10259 9938 598.3785 598.3804@6.518 8129 4626 6264 4462 598.3804 598.389@4.4366 5100 4086 2598 4900 4702 598.389 598.4231@1.116 4807 598.4231 598.4417@1.132 5321 598.4417 598.457@1.106 1772 2806 5450 598.457 598.464@1.09055 26668 25651 2616 6554 2555 2407 10841 3627 3696 2003 5578 2020 7400 6128 2948 3184 68157 1967 5839 2088 598.464 598.4776@1.205 1698 598.4776 3,4-Dihydrospirilloxanthin 14277 22902 42962 54578 29097 30396 24960 37963 29399 28234 52589 2902 27675 28308 28136 10528 36650 33921 9614 2272 28780 32035 34551 24820 31175 32437 9884 11349 34289 26012 27992 20196 14823 44340 43242 38212 17380 20908 28725 23553 47123 22661 26049 11476 32504 46230 47881 46259 34511 19912 29735 11683 22819 26499 9215 19414 29742 14818 18569 LMPR01070176 598.4809 598.4852@1.0447143 60814 10862 16901 12240 21047 34856 13186 25955 8599 46115 8007 30677 13119 11696 598.4852 598.5003@1.0283333 8188 19542 13239 598.5003 598.5006@4.3927507 6123 5647 3469 3555 2910 3877 5989 5390 2922 3782 3210 5159 4936 3947 3865 3481 3047 4360 4446 4096 3877 3371 4110 2688 3517 3311 3466 3643 598.5006 C34 H70 N4 S2 109272 114856 184384 182979 150352 158116 161390 165536 159492 165645 244835 243408 222304 222856 371182 369567 326810 318068 241513 231813 342475 361706 382581 384679 366179 380703 554926 567974 525579 534022 231307 223772 134703 127110 180703 164455 178901 178389 173254 174200 232927 235555 218190 221192 196577 212409 289674 286506 381867 376507 601643 597919 249855 253145 302428 297178 318626 323226 411797 415567 197953 206090 279113 283187 229723 243282 587850 569019 211114 211853 265357 268547 422968 424000 427429 425465 360693 249075 359714 268384 270818 370295 417848 395109 397688 404028 635487 642215 293294 350115 389293 399059 598.5043 C16 H9 N O16 S4 4640 4355 3415 3602 6294 6791 4887 4971 4579 4420 3837 3740 13111 12364 23202 24685 4534 4444 10221 9566 10207 9607 15147 14533 6032 6287 6750 6825 3745 3906 7788 7658 4989 5333 7763 7159 4576 5134 8116 8369 11645 11713 4640 5191 4145 5034 9329 10350 5615 5350 5853 5809 12618 12331 3979 3887 4147 4889 3136 3275 5031 5144 4612 4107 3443 3569 4400 4428 4203 3801 6377 6015 6838 4550 3682 4248 4671 5230 4253 4005 4733 5303 4430 4492 598.88 599.1397@5.60775 2902 3094 2990 2188 599.1397 599.249@1.185 10023 599.249 599.2531@1.1861668 4135 10573 1816 11439 1642 4499 599.2531 599.2538@2.7666667 4386 6660 3492 599.2538 599.2566@1.438 3012 599.2566 599.2865@1.101 3755 599.2865 599.2875@6.48 1460 599.2875 599.3284@6.455483 5777 2377 7227 6154 3014 6181 4809 7242 6158 5542 5040 3961 5867 6166 3924 5431 5443 5818 3535 5050 5341 4979 3403 5521 6574 5372 4257 3322 3419 599.3284 599.4295@1.101 2115 599.4295 599.4402@1.132 11217 599.4402 599.4637@1.2306365 7146 6997 35333 34236 35296 35627 22923 23186 6686 7143 23417 6265 7058 10424 7558 9719 8609 10216 9074 8441 16218 16189 599.4637 599.4641@1.471 16796 17975 599.4641 599.4645@1.7263333 7796 6874 6808 599.4645 599.4658@1.10165 1944 3953 4268 2317 3380 1582 2452 2360 3098 3406 2386 23135 3979 3521 24337 4091 104599 107967 2771 2605 599.4658 599.4877@1.0485556 5833 6506 3391 5537 6242 5335 6286 9646 3010 599.4877 C35 H Cl O3 S3 2336 1939 2370 2551 2267 2227 2344 2329 2345 2414 2560 2505 2286 2371 2383 2178 2315 2212 2885 2554 2561 2386 2208 2557 2494 2118 2430 2368 2194 3016 2567 2514 1990 2374 2326 2381 2297 2289 2702 2410 2416 2484 2580 2594 2624 2424 2300 599.8791 600.2527@1.2904999 13441 13825 600.2527 600.2579@1.0816667 9367 9372 8522 600.2579 600.2608@1.5425 10857 5105 600.2608 600.2609@2.7613332 7688 7400 3659 600.2609 600.2637@1.1178334 4988 5329 24485 12609 12326 5256 5365 9971 5773 9473 9592 8703 600.2637 C43 H36 O3 4044 5079 8784 9498 4935 4776 10743 5441 5498 4298 3096 3284 4150 4571 4894 3741 5395 2002 7943 6171 5932 4369 6043 5083 4284 6398 3975 4223 3733 6664 6436 5787 7712 7613 8370 6510 5092 5708 6190 5308 8583 6061 5092 4951 11730 4325 3771 8337 7760 6655 10540 3896 7563 7806 8846 8531 9646 4010 600.2667 600.2951@1.201 25410 22052 13624 13968 600.2951 600.3194@3.2475624 103351 101646 138983 135641 22263 23024 79114 79949 12337 13775 108405 110227 23921 24273 85629 87262 600.3194 600.3551@1.3285 6833 8497 600.3551 600.4018@1.1285 2069 7882 5414 9371 600.4018 600.4106@1.12725 4459 1652 3613 11286 600.4106 600.4244@1.104 12002 5183 3916 4993 600.4244 600.4271@1.0988001 9966 5671 2833 8664 7969 600.4271 600.4329@4.3953333 4441 4563 4438 4496 7876 5782 600.4329 C38 H64 O S2 4065 2606 3516 6536 6569 4049 7044 3750 5085 7179 2801 6310 4831 5011 7333 8453 4208 4795 3948 4438 3573 2174 3421 3230 5793 7400 6845 3341 6302 4886 6065 6064 8236 5514 6186 6336 2201 5889 3707 5416 4911 4521 7585 7110 4790 3485 2645 12239 11996 6475 5373 7945 8391 5863 5117 5510 3137 3434 4603 600.4385 600.4388@1.0865455 3731 2356 7393 2317 3113 1609 4821 6795 4628 3462 3288 600.4388 600.4414@4.4484997 2780 5141 2040 5858 4669 1685 8275 5199 8030 2891 2104 4526 600.4414 600.4458@1.0931427 1969 2132 2024 4112 14730 3209 8599 9347 5067 3483 12194 21870 3980 600.4458 600.4528@1.0771428 6625 4495 7583 2976 1882 5697 4585 600.4528 600.4657@1.087 2884 600.4657 600.4741@1.04625 6015 8792 9368 13789 600.4741 600.4824@1.0455185 20003 20011 8599 8357 12667 5403 12024 10592 23857 21820 11071 19064 7040 13686 14381 15925 15266 13431 15924 18177 15458 33586 88406 31901 12870 2400 600.4824 600.4833@4.441 1995 2597 600.4833 600.5071@4.45 3019 600.5071 600.9394@4.3968997 3505 3220 3831 3209 4262 8744 4264 5664 2987 2649 5077 7154 3025 5112 4769 3795 5654 6526 3657 2922 600.9394 601.0276@1.241619 3587 3501 4358 4480 2088 2313 2359 3643 3320 3120 3330 2610 2647 2654 2670 2704 2485 2337 2651 2177 1968 601.0276 601.1971@3.762 5289 5535 601.1971 601.2603@1.173 4382 601.2603 601.2713@1.086 2533 2490 601.2713 601.2963@1.199 6982 6032 601.2963 601.3032@6.4568567 2403 2217 2743 1887 2154 2507 2123 601.3032 601.3053@1.1984999 11455 12192 601.3053 601.3096@6.467 1490 601.3096 C28 H52 Cl N7 O5 3937 3185 3428 2378 2842 2890 3797 4323 4312 3359 2926 3185 4256 3407 3871 4394 3533 3298 3477 4138 3726 5033 5022 3318 3373 4317 3611 2258 3108 3897 3959 3606 3460 5512 4759 3350 3519 3481 4064 2916 4069 3921 3424 3434 5415 4080 601.3724 601.377@6.4201 3633 3921 3476 3249 2837 3978 4932 4435 2676 3815 601.377 601.4042@1.1853334 6355 8118 7666 601.4042 601.4174@1.108 1854 4902 601.4174 601.4245@4.55875 6345 7395 7538 5550 601.4245 601.4346@1.109 3060 601.4346 601.4476@1.09 4260 601.4476 601.4628@1.048 3133 3835 601.4628 601.4742@1.0440625 3593 4137 4035 3555 3421 3652 3376 3417 7859 6310 3232 2193 4922 5310 3749 3007 601.4742 601.4882@1.04575 5466 4460 3515 4172 601.4882 601.5024@0.976 2716 5509 601.5024 601.5072@0.9753572 4512 3901 3428 5841 5900 2377 4240 3921 4351 5868 4557 3827 4834 4026 601.5072 602.224@1.153875 7299 7651 4345 5676 6549 5256 4330 3866 12330 8171 7322 7462 7313 7139 9899 9120 602.224 602.2252@1.1490715 4284 4876 4659 4108 6341 10431 2403 4642 6294 3575 4070 4741 4195 3790 6653 7843 4774 5239 4411 4508 5137 5557 5898 15330 2970 3055 10984 602.2252 602.2258@1.438 12513 602.2258 602.2288@1.1206666 4148 3295 602.2288 602.245@1.163 6587 602.245 602.2736@3.3006668 4391 7446 9374 602.2736 602.295@1.207 1829 602.295 602.3112@1.1842779 21341 20584 2186 39669 92275 19103 29684 11501 9133 1881 5233 4302 4092 3644 8080 3080 3765 3578 602.3112 602.3134@3.484 11015 10883 9970 9135 602.3134 602.3339@3.4493332 18924 17964 4811 602.3339 602.3683@1.3822501 8621 7152 8839 3484 602.3683 602.3692@1.3176666 7441 5998 1764 602.3692 602.4047@1.06875 2463 8749 5618 3998 602.4047 602.4242@1.113857 2748 7237 6110 4393 23656 20324 3159 7539 2516 3229 16738 2151 4995 2675 602.4242 602.4304@0.905 5876 602.4304 602.436@1.143 16338 602.436 602.4379@1.056525 5842 5275 4066 7975 7117 5067 5784 3263 19248 19570 4284 4055 6891 21688 7920 15906 2584 7011 14349 3612 12137 4696 13442 8524 10048 3233 8120 3149 4028 3370 5382 9036 7961 4766 8815 9453 16632 5355 2524 602.4379 602.4493@1.0892353 4570 13758 5716 5009 3012 13255 14973 7140 9190 2477 18803 14953 13975 15122 11752 2684 8308 602.4493 602.4793@1.0458332 6048 8531 25198 2671 3599 12586 602.4793 602.4821@1.044 5276 6197 9295 6220 602.4821 602.4974@1.0449001 4890 7522 9611 11903 14283 6006 4372 15814 15466 6316 3566 3654 4774 7057 5363 5336 8625 19722 4469 7104 602.4974 602.5007@1.0455999 6554 9205 10604 8192 6738 9676 7760 8689 10581 8925 602.5007 602.5292@0.978 2587 602.5292 1-Hexadecyl-2-arachidonoyl-glycerol 2914 2640 3681 3308 4278 4138 8120 7188 3465 3265 5722 5975 3463 6864 6478 4064 4614 6548 5744 3959 3554 3800 4430 4078 4100 4659 3627 3880 6473 7076 4059 4441 4329 4670 5214 5094 4620 4619 3170 3623 602.5318 603.313@6.4129996 3377 7065 6578 6799 603.313 603.4044@4.44275 12381 12168 5063 5262 603.4044 603.4212@1.12 3278 3737 3681 3020 603.4212 603.4269@1.1250908 4817 3267 4873 4083 3349 2749 2710 4334 3531 4996 3056 603.4269 C33 H65 N O4 S2 6549 6209 5466 11449 13200 3314 11194 2389 2979 3231 5397 3463 3376 8733 78385 76649 8201 7746 14332 14364 11367 12264 28082 26605 5130 3889 12146 11599 4389 3573 5060 7243 6885 15170 16522 3229 13801 11727 20409 20494 3476 4754 7228 7033 19496 19255 5284 5632 5941 7409 28261 27947 4835 6203 7047 6772 3233 4744 8025 7543 6704 10156 4519 3885 5566 4949 4608 3912 4436 3503 2963 3099 5744 3181 8146 2864 603.4348 603.4365@1.5775 11456 11404 603.4365 603.4411@1.0933001 3834 5765 5037 1981 3397 5419 2417 2806 2467 6496 603.4411 603.4502@1.0984 6312 2396 6998 8464 6910 603.4502 C36 H65 N3 S2 3749 4448 4285 4048 4564 4314 4775 3712 5769 3779 4563 4486 6637 2758 3367 3925 4166 5239 8659 2172 3734 4197 4376 4591 6793 6271 4470 4484 4128 3616 603.4625 603.4717@1.00265 2223 4756 2407 2021 4687 4905 5622 3802 4429 4111 3090 4502 2744 4052 4647 4356 3270 3206 2173 4021 603.4717 603.4787@1.047125 4619 3390 2395 1953 3851 2620 16579 5607 603.4787 603.4903@1.046125 3547 4612 2487 2734 2579 3977 2123 7147 603.4903 C22 H24 N2 O14 S2 13183 13689 4035 4498 3372 2474 24917 26414 55650 57066 2359 13192 14121 35613 38908 41232 39362 6004 5267 8912 8297 2353 5460 5349 17755 18585 20198 20087 16506 18252 3329 2918 46327 46209 3470 4099 24676 24174 3519 10307 9965 2104 3428 3354 604.067 604.2304@1.4703335 7523 8922 8049 604.2304 604.2384@1.3062999 6587 6092 5654 5519 6805 4913 4371 5708 5458 4623 604.2384 604.2387@1.633 5752 604.2387 604.2423@1.188 5291 604.2423 604.2777@6.4095 5636 5405 604.2777 604.3111@1.204 1785 604.3111 604.3214@1.21 2763 604.3214 604.3306@1.2040586 1882 2284 40534 30429 2671 3823 49916 20327 4789 5295 1847 16192 12084 3952 8347 4658 6565 604.3306 604.3359@6.474 17320 604.3359 604.3962@1.011 3107 604.3962 C22 H52 N16 S2 11061 10927 3583 4151 22457 20884 51067 48854 12204 12239 31693 32427 35599 34064 4499 4542 6590 6937 2292 4403 4206 15535 16159 18279 16800 14025 15373 2672 40946 39670 3186 3604 20031 21601 3134 8891 8270 3152 2283 604.4012 604.4045@4.5525 4081 3537 604.4045 604.4142@1.206 4048 604.4142 604.4228@1.1495 16848 20355 604.4228 604.4316@1.1205001 1784 5592 604.4316 C39 H60 N2 O S 4122 8978 10116 12668 8030 15182 12017 12115 14333 3398 2926 15716 8952 8093 10493 5911 5571 5127 11338 6520 4176 8588 2230 18924 6916 3912 4764 6498 5761 10950 9643 8012 8482 5119 5768 5242 7377 17470 7695 5705 7361 12933 8672 6599 4004 5125 7110 6044 7320 7053 14313 14950 3804 5665 6279 13404 14395 7854 6561 6953 4099 6242 604.4436 604.4469@1.0764999 13181 9641 3099 16031 15553 9193 6843 3220 604.4469 604.456@1.0612856 3912 8434 8868 9751 26616 5482 12404 5150 2321 7610 4563 4428 37025 6081 3114 10813 9164 3445 3878 2981 35836 3556 8429 5626 8649 11075 3828 4483 5574 5681 16734 22870 13291 4421 4757 10666 6463 3467 2274 3210 3441 604.456 604.4703@1.0487499 1667 3960 3466 3187 2397 4506 9519 3151 604.4703 604.4756@1.0386666 4020 1322 1877 4602 3222 5471 1294 1872 1802 3482 2776 1383 5979 2456 1217 604.4756 604.4892@1.045 1965 9388 604.4892 604.736@5.9255514 5190 6062 12764 12200 28859 28149 5837 6611 18076 18363 19105 19751 2869 2563 3747 3330 2535 8567 8726 10205 10184 8617 8437 22016 21976 11823 10957 4283 4733 604.736 C23 H23 N15 O2 S2 3612 3609 3020 3862 3813 3139 1504 3532 3119 1840 2121 2048 1554 2152 1997 2484 2193 1755 1876 4132 4439 2744 3301 2714 2092 2540 2478 1839 1570 1543 3012 3120 1529 1859 2547 2272 2351 2095 1824 2016 3858 3364 4144 3895 1968 2185 1726 1674 3716 3235 3389 3155 2123 2093 1533 2256 2516 1911 2319 1850 1922 2062 2256 3505 2640 3742 2173 3491 5193 4571 3799 1954 3539 4216 2178 2916 2298 2568 2489 2634 605.1611 605.2956@6.39 2426 4065 2962 2657 605.2956 605.3355@1.205 3574 605.3355 605.3471@7.151 20779 18972 605.3471 605.409@1.1563333 2691 4942 4578 605.409 605.4474@1.1265 2577 3030 4313 4469 605.4474 C34 H68 Cl N O3 S 5342 6149 4813 11914 6541 10598 10615 9074 6663 6846 3418 7939 4948 5575 6213 6543 9914 7321 11260 2548 7226 4303 7954 4913 5713 3483 5781 6427 6982 3899 6842 6125 6297 6239 6823 7341 7149 5959 5435 2431 5026 9541 10339 9857 7194 4632 3861 8149 3092 13597 4784 3066 7084 3957 605.4635 605.4652@1.067 7170 17854 17449 4066 3065 605.4652 605.4754@1.0527778 1391 1977 3517 4301 3888 3558 2011 11891 11666 605.4754 606.2506@1.03875 19276 11781 10225 10400 9744 8380 7873 10809 17628 14307 13535 7632 606.2506 606.2531@1.1977777 3385 2353 3160 4876 4557 3821 6654 3187 6040 2960 3876 5699 5298 7128 4140 3856 4111 606.2531 606.2633@1.194 2242 606.2633 606.3013@1.219 2812 606.3013 606.3403@1.2053332 4256 2961 8339 4658 3863 2919 2578 3596 606.3403 606.358@1.204 3944 606.358 606.3867@1.2060001 3270 1650 606.3867 606.3921@0.99186665 4056 4087 4658 4160 8707 8138 4037 4081 4108 3490 5709 5731 8249 8047 606.3921 606.4017@1.0003333 8904 9207 3644 606.4017 606.4115@2.0436666 19509 74938 59318 606.4115 606.4518@1.1365832 4974 5187 4564 5101 4123 3191 8805 6326 2868 2959 4903 3081 606.4518 606.4567@1.0820588 9813 9905 7558 28712 7792 15809 21115 4998 19353 10032 7986 44126 19805 13595 12845 54950 24096 9521 8791 15297 21900 20692 10233 5513 4360 5843 13338 4807 5731 5166 23776 22551 44946 9564 10645 7252 10616 19984 9849 12190 9086 5011 26935 11680 17257 16430 8926 13147 13398 17401 9218 8888 28115 9751 22478 5371 6098 13074 11945 17612 11175 22082 24443 7624 11649 9720 12304 606.4567 C35 H62 N2 O6 3185 10338 19444 11341 15683 15963 23565 6841 9178 20716 8624 13122 20833 16058 14598 6598 4369 8432 3552 4027 17347 3156 9507 21176 15175 6922 6614 10437 11071 5016 15710 20171 26991 10690 4239 16484 23067 35133 29256 12285 11395 14253 25904 6621 14033 15239 14021 10710 606.4587 606.4678@1.057 6232 8766 5028 606.4678 607.1246@1.3866668 7149 8504 7759 8708 6282 11328 13584 13441 11579 8919 14529 15221 607.1246 607.1246@1.6857272 5563 6325 12211 10399 7172 14642 17153 8461 12377 17176 15040 607.1246 607.3103@6.9815006 33320 31975 4580 4456 607.3103 607.3497@1.203 3547 607.3497 C22 H45 N19 S 19685 21012 16448 16646 27625 28383 5128 4355 25759 23351 20279 21245 4290 4647 18404 18418 53872 53564 132968 133110 13120 13822 40846 41374 24776 24904 47822 46453 24049 25705 443026 444561 28761 29700 120484 117258 32905 32346 39060 40206 12640 14038 34895 35593 64134 64864 20412 21447 13956 14029 21720 22366 18868 18025 21343 23692 59028 58374 20638 19077 35544 35050 13876 14129 35415 34802 20550 19593 10563 11080 20809 20219 17656 17744 11327 10726 11832 60930 59213 19450 20644 19405 14737 14842 20845 21257 32527 34356 11534 10087 607.3838 607.3883@6.5345 5086 5619 607.3883 607.468@1.1084001 3125 3705 3452 2566 4024 607.468 607.4758@1.06995 11629 17051 8765 16470 4257 4771 11395 10597 10658 6522 7863 9986 3424 9224 6376 11215 6801 12444 16615 11284 607.4758 C32 H62 Cl N9 8398 8647 19867 20574 10372 9747 14187 13765 15049 20374 16524 15447 14591 24294 24611 7067 7773 22603 8632 18547 15601 5360 15154 16277 10410 11493 5191 7725 12563 7861 22705 21012 9419 3121 15236 13544 8251 13036 13668 11603 18505 21702 5854 16142 14819 10205 18813 36206 17760 17744 12539 8081 8298 607.4792 607.5246@0.9933751 5222 9396 9430 6515 11519 8220 6530 6490 10230 10205 11028 6149 6900 10603 12196 6484 11418 9452 7230 10303 10456 9998 5662 21423 11837 10302 9169 5280 8363 12380 16278 47789 9614 8413 11947 9970 5664 5738 6354 2538 8200 5427 9751 9994 10410 6264 6016 607.5246 607.6716@4.8395004 2116 1842 607.6716 608.3425@2.60975 9593 7595 5588 5831 608.3425 608.3653@4.6905 6093 5303 6666 6945 608.3653 608.4092@1.187 3625 4719 608.4092 608.4504@1.135 5131 2362 3937 1713 608.4504 608.461@1.211 3676 608.461 608.4711@1.0895311 50435 10321 5889 46057 21387 8486 24955 15860 7980 2278 6415 17229 3226 14562 4960 10227 2291 9294 4202 3371 13589 10585 14718 14630 15318 15245 20518 13015 8280 13724 14415 608.4711 C37 H60 N4 O3 37464 14242 16554 91348 31059 22234 26990 30671 17906 34288 19474 9351 11060 8459 8435 70366 25055 17284 17580 28178 19405 9701 10213 45085 15362 22410 9543 44858 24883 32157 19046 12175 5226 14949 49908 8642 39577 55888 56335 19405 10094 10722 14385 23314 54892 17020 51770 23807 13956 12514 12362 3073 14218 17558 10913 17438 8083 19229 11617 13331 18012 19147 15585 15871 14286 14994 97221 27541 19062 22486 32159 17101 17298 46064 9025 86522 56728 47243 14693 11071 608.4724 608.7376@5.8947997 3348 3412 2212 2746 3278 608.7376 609.073@5.8963995 2952 3323 2658 3125 2689 609.073 C38 H28 Cl N3 O3 23681 6515 5129 24441 7939 5862 5463 4130 11583 47256 28584 14607 6199 10555 9410 43091 28621 8687 7916 14029 7064 5993 6003 12362 10607 30338 43776 12360 8747 8016 8933 9814 4625 14894 13882 13306 13640 17287 17510 16588 16078 12771 13682 13224 14696 11278 11909 29238 18992 13459 14109 20364 15631 10334 9871 5584 6127 7704 7689 11393 8804 15505 14485 6453 4171 11050 9279 14960 14237 15567 11777 14157 17846 17307 23598 24540 25520 19758 20585 22085 21823 18394 18919 17708 16192 609.1819 609.1841@1.1003333 1897 10558 10058 609.1841 C26 H44 Cl N11 O2 S 3648 3680 3125 3310 5090 5840 3064 2336 4578 5123 3840 4199 3453 4760 4475 3036 3072 2305 3956 4495 3420 3340 3046 3599 3607 3894 3117 3500 3440 3493 2895 2975 3078 3531 2973 3516 4103 4192 4180 3733 6655 3174 3969 3771 5685 3384 3978 3552 2016 3041 4286 4035 609.3074 609.3952@1.0074999 6000 7680 609.3952 609.4033@6.509 8403 8091 609.4033 609.4226@2.143 10939 609.4226 609.4229@2.437 6398 609.4229 609.4239@2.1703749 8467 6761 5813 6552 17212 23287 14518 12761 8936 17732 11883 7218 4039 9427 13569 9139 10503 13834 5451 14498 15732 7395 20555 22196 8542 9708 7863 25711 13322 12673 3504 609.4239 609.4289@2.3601003 4614 7171 7603 7013 8753 16136 3726 5902 9058 609.4289 609.4321@2.1030002 5471 4292 609.4321 609.464@1.1575 7580 5474 609.464 609.4845@1.12 3240 7184 3849 3534 3297 2295 609.4845 609.497@1.0662856 16216 3049 8856 66303 50372 41890 50507 59770 9526 8295 8284 82262 85062 55059 56094 9257 8855 58007 14205 25919 56809 10213 56897 63553 41270 18771 17398 12150 12134 20797 20970 3863 20169 10321 84397 84363 53902 50392 6298 5380 12914 13296 32285 13285 52546 13074 24749 6205 60241 63017 3576 5111 8517 54534 52151 6743 12991 5796 13841 39685 40733 17790 46526 66861 65681 36356 37588 12541 12873 609.497 609.4985@1.056 16146 609.4985 609.5288@0.993 7339 609.5288 609.5333@0.99261105 5545 10715 9595 11239 8078 8130 19565 8658 11062 11353 9583 12569 7603 21827 12177 8289 11751 7157 609.5333 610.1826@0.99233323 5536 7643 5861 610.1826 610.2429@2.73 3194 4860 610.2429 610.2567@1.1915 4830 5464 610.2567 610.285@1.2292222 22752 18207 4714 5157 8776 6481 8941 12967 2729 610.285 610.2866@1.1795 14691 16742 610.2866 610.3763@1.206 4099 610.3763 610.4019@1.2055 13373 14007 3517 2977 610.4019 610.4462@1.1165 5967 4808 610.4462 610.4786@1.1320001 3749 6204 2940 3177 2832 2474 47796 3327 44428 610.4786 610.4821@1.097 11486 38512 4480 12354 610.4821 C41 H67 Cl O 11917 14490 10907 39367 3395 38789 23918 44609 8213 55616 6212 15155 14615 10263 8913 17908 18214 4660 9214 4882 17151 24176 30182 22757 10113 22778 9326 17129 5094 21482 21546 15056 610.4902 610.5399@1.003 2818 610.5399 611.176@5.6070004 1884 1926 1903 611.176 C20 H21 N17 O7 1935 2111 2318 2168 2101 2513 1613 1585 2175 1894 1604 1798 1696 1648 2005 2225 1728 1958 2273 1871 1972 1954 1567 1557 1731 1623 1732 1666 2583 1942 2590 2473 1985 1944 2027 2522 2398 2096 1807 1943 1657 1878 2306 1769 1824 2472 2465 2286 2281 1688 2374 2115 1935 2060 1679 2043 611.1811 611.2536@1.17 5236 611.2536 611.3224@6.4450927 4052 3738 2910 2853 3338 3045 2988 3849 4205 3229 2588 3294 3406 3404 3454 3124 2955 3293 3260 3190 3652 2734 3037 4854 4251 3806 3062 2743 3422 3545 4062 4332 611.3224 611.4119@4.413652 5237 5730 9997 13799 4420 16225 16835 6579 6212 8800 11277 9814 10773 5488 4510 6034 6872 5617 6259 7924 6662 5380 5182 611.4119 C28 H53 N9 O6 12016 11888 5988 5821 44049 43471 19145 19280 10937 2986 9705 10296 65843 64831 189196 192871 12952 13543 56767 52655 52793 55683 79209 74357 4570 5547 28496 28689 30927 28666 15022 14248 27366 28889 23145 20068 22121 24734 60532 61248 14066 14901 5655 4606 35878 33305 9610 10250 11479 10475 74259 73732 13231 13088 12379 12747 7910 2357 14503 15592 15583 15255 38840 39388 7661 7225 7342 15228 14016 19968 19503 11489 11817 611.4131 611.4137@4.4989996 7192 2980 611.4137 611.4719@1.149 2516 2297 4942 611.4719 611.4881@1.119 1471 611.4881 611.4896@1.2071428 4574 4228 2248 2420 2653 2352 23219 611.4896 611.5056@1.1597999 1810 8873 1716 4534 4174 611.5056 611.509@1.0670384 11891 12441 9205 7745 5214 5983 13472 13412 9282 9523 17444 15011 8304 8632 2929 14850 5905 3020 17765 26399 7913 10230 12427 13841 9183 10229 611.509 611.5111@1.0543333 6440 17070 8085 8039 19109 7436 23937 11903 15515 611.5111 611.5473@0.988 3618 611.5473 611.556@0.9931428 16964 6358 9351 4273 4287 7098 8107 611.556 611.9136@4.403333 7732 7588 9435 9648 5909 5939 6853 7024 4263 3271 3977 5347 611.9136 C20 H4 O23 6495 6544 3306 27775 25250 9941 10638 7408 7331 4508 5592 39080 38398 112113 113075 7736 8748 32256 32279 33629 32004 46374 45892 17715 16738 17474 17360 8625 8050 15791 16894 12953 12943 12685 13517 35253 38461 9536 7992 4186 4507 21546 21117 6502 5467 5716 6707 44188 44498 8200 7576 6695 7037 4128 3359 7745 8291 8835 8432 21892 22757 5043 4385 4772 9103 8895 12805 11153 7207 7317 611.9143 612.1804@0.9906667 5859 4049 5463 3468 3857 6144 3498 3077 3213 612.1804 612.224@1.5132499 6171 5677 7709 6680 9251 3911 4487 612.224 612.2461@1.19625 3278 2747 3693 7400 612.2461 612.2626@1.197 24421 612.2626 612.2661@6.979 6951 7027 612.2661 612.2761@1.214 2197 4236 8011 612.2761 612.2924@1.1555 2564 1851 8764 5438 8140 4385 6165 612.2924 612.2936@1.412 19036 612.2936 612.2964@1.325 41759 31864 612.2964 612.2965@1.2485557 138484 146577 2073 89896 92449 19519 25418 6846 9027 612.2965 612.3393@4.8343573 2884 3212 7493 8165 23715 22849 6965 6305 3126 3833 3329 3174 3118 2865 612.3393 612.4262@0.9935 15880 16317 612.4262 612.4364@1.128 38584 612.4364 612.4498@1.1094999 2896 325065 612.4498 612.4707@1.06275 14180 214628 8386 72552 24792 3574 198601 3342 612.4707 C29 H61 Cl N12 103168 68613 69380 103056 95187 27548 26653 19006 153110 279421 12730 55523 24880 87027 165828 58298 177409 120449 20030 92996 87365 3336 131509 152302 39174 175760 284025 120317 17113 17493 43944 14850 137169 17914 45998 87632 57517 110689 113502 107793 19034 56897 155218 150151 69572 159240 1228 70200 81425 76112 93872 36157 15907 37601 37908 612.4788 612.4818@1.076 60618 7878 612.4818 612.4906@1.0652633 86351 120355 17628 58037 32265 30105 22821 62369 34973 23234 54141 108126 25108 41534 40283 109311 83744 31605 180230 612.4906 613.2297@1.5028001 1834 2923 10869 8868 9021 613.2297 613.2395@1.5155715 6521 5150 5428 8303 8524 4778 4824 5052 3699 6955 7488 7584 3280 10979 9719 16725 17166 9573 7241 4907 613.2395 613.2491@1.527 8266 613.2491 613.2947@1.5426668 5758 7063 6467 613.2947 613.3096@1.554 20916 20258 3945 613.3096 613.3334@6.4152503 1863 2920 2863 3366 613.3334 613.4719@1.12 5425 1779 4752 613.4719 613.4798@1.2174283 12854 11155 4493 9356 10354 5235 9720 69611 67166 49820 47112 5036 3415 8666 12320 8509 8921 34619 37481 8955 13467 9210 14111 5133 7257 7959 14239 26723 613.4798 613.4801@1.79 4749 8987 613.4801 613.4811@1.7520001 17323 8528 613.4811 613.4839@1.1386667 2915 2788 2869 613.4839 613.4909@1.1036667 8561 2836 2748 613.4909 613.5101@1.061 11441 613.5101 613.8931@4.5275 4790 5170 613.8931 614.2374@1.6457001 3873 5700 2663 19045 27112 15687 18434 13062 35363 20872 614.2374 614.2381@1.7495 19569 19801 614.2381 C38 H34 N2 O6 6801 5611 10315 10007 6861 10400 7007 9933 9116 16488 18147 37247 15263 6803 6579 4480 17209 22896 14153 15715 8464 8367 6959 24443 22798 15409 32174 10259 11727 30336 1868 19020 17890 31586 32495 13199 12790 6856 12558 32918 11911 16749 14042 15476 20041 17310 18327 15222 16696 14364 14810 24390 22176 30856 38603 18034 14614 13436 25069 22351 10984 30740 34543 30647 49750 14465 18450 11144 12299 9905 13991 26647 32049 25722 7356 56075 35160 37353 21496 23121 7792 15629 18424 23782 11592 11408 614.2413 614.2422@1.277 11331 614.2422 C31 H50 O2 S5 8286 6340 4641 9323 9992 3789 26292 46990 9330 5670 4897 7173 12805 9426 7682 11055 12184 18680 8105 34065 8803 9064 12540 17485 3769 4206 6569 12740 19484 17817 8679 14323 15098 18017 6128 13624 8623 16161 16652 6566 5076 31604 7075 8024 17192 14478 9339 10051 32734 33026 36327 11665 6562 5404 20459 16240 17066 614.2426 614.2429@1.1452501 2841 1568 13265 4393 614.2429 C31 H34 N8 O4 S 28238 26614 36393 21710 23437 9221 10697 23902 21527 36383 35111 43715 55510 22264 19727 32588 34682 34128 33218 29514 25864 12940 12638 37769 39219 32023 34415 36583 31859 26747 26989 25963 24519 27074 29789 41364 53934 25683 25768 13701 16114 46539 47103 30084 27676 39574 42191 51378 44984 46747 45128 48128 47955 42552 49356 45947 49724 31716 34034 40411 31517 25793 26348 36943 35543 61395 57490 26836 26525 24738 27078 20259 21434 50111 8206 57428 60183 62315 55912 76357 65483 76935 77872 23549 29711 29977 31183 48289 50899 614.2431 614.2593@1.6103333 10371 24851 27137 614.2593 614.27@1.491 7306 614.27 614.2736@1.198 33290 31067 614.2736 614.2917@1.323 10764 614.2917 614.308@1.3088571 2842 5556 9054 9134 6397 17683 12060 12742 11421 10131 9050 8072 17379 614.308 614.3086@1.3185 16491 54483 614.3086 614.4115@4.515 1727 614.4115 614.4483@1.138 3876 614.4483 C20 H50 N22 O 8473 8150 3522 6885 8515 6386 3385 8629 5845 6533 14107 11502 4219 5820 4715 6608 8040 5717 7240 5682 5134 4246 6715 4412 6207 7204 6373 2552 2249 5217 6033 7742 6752 5195 17253 15072 2464 8633 4696 12120 14193 5075 5326 3852 614.4536 C20 H50 N22 O + 4.402654 8895 10626 9191 5557 8073 10238 8355 6705 7687 7408 9588 9218 9249 8610 7680 2908 6707 8446 9551 7912 9188 11567 9404 10002 10983 10548 10215 7713 7124 8189 9615 8393 8418 8862 7805 6756 5691 7471 7463 9665 10901 10792 11466 10103 12223 10034 10584 9048 11590 8548 9106 6501 8516 9169 6754 6406 6758 8615 8594 9625 10542 4821 9221 9743 9220 9634 7666 12299 9326 10094 10284 10830 11882 7666 10250 11691 10092 11137 614.4543 614.4547@4.1685715 5505 3159 2707 4925 8825 3877 6076 614.4547 614.4548@4.29 4606 614.4548 614.4601@1.0784502 103404 109368 4039 5208 7297 223756 16911 13742 14605 52665 177835 225894 3173 25556 4195 8101 3311 7769 311794 108168 173207 6195 320900 274610 164268 3955 12935 7726 28269 293490 277228 4491 382519 41822 450691 216271 4846 3482 16520 6158 614.4601 614.4643@1.1142857 2993 4341 5555 3522 3441 7050 614.4643 614.475@1.099 21563 21129 6580 6258 2861 10058 614.475 614.4868@1.0096428 5119 2634 2214 7316 6459 1912 6916 8288 9402 2230 2535 4826 8179 6999 614.4868 614.955@4.2997003 1665 6151 3700 2755 4113 4241 5963 9320 2712 3526 4038 5010 3085 4727 6182 13113 12683 4183 6763 4653 614.955 614.9552@4.1615 1674 1567 614.9552 C27 H5 N O17 5275 5412 4612 3148 3261 5127 5443 5231 6703 5133 5111 4378 8563 6653 6280 5300 5649 5397 5507 4885 3605 5895 3740 4346 4124 4768 2728 5377 5616 9543 6690 6416 6060 7418 6454 6198 7686 4687 7639 6917 6087 4709 5332 4710 6043 5946 6001 5778 5346 6413 5974 7096 4449 7922 5005 5777 6420 7461 5255 6779 7441 4704 4280 2760 614.956 614.9565@4.177 2233 614.9565 615.2456@1.647 11151 615.2456 615.2457@1.5735999 8808 8962 4446 6675 615.2457 615.2469@1.19 13834 4959 615.2469 615.2877@1.431 1813 615.2877 615.3118@1.158 1464 615.3118 615.4368@1.1995001 3376 2607 615.4368 615.4516@1.2032499 5614 4719 2876 3146 615.4516 615.4615@1.1352001 4926 7428 7801 9091 2672 1863 2718 3049 13230 3318 615.4615 615.4918@1.0695 4640 5822 5054 4763 11084 5972 5935 6805 615.4918 615.5007@1.074 7394 615.5007 615.5089@1.063 10274 615.5089 615.5248@1.003 37865 615.5248 616.2516@1.193 6475 616.2516 616.2561@1.6884999 10159 7231 616.2561 616.2716@1.665 3759 616.2716 616.31@1.3314999 6445 4199 5980 6030 616.31 616.3116@1.4003334 8562 7690 616.3116 616.3157@3.5915 7651 9574 616.3157 616.3265@1.3576922 16059 14557 19787 20605 19588 20733 15943 15471 15188 16522 13566 12906 68878 27494 12252 17574 4224 3683 4454 4353 9435 12412 8327 8191 6362 616.3265 616.3265@1.4275556 40639 10315 11079 6115 6278 34878 16914 12833 616.3265 616.4701@1.1184446 4557 4579 4812 5183 4769 16566 16094 4580 4139 2816 7963 6445 5116 4225 16550 76614 7912 5221 3397 3028 5864 5169 7692 7476 45298 7635 616.4701 616.4728@1.066 48607 616.4728 616.4738@1.0589999 58610 38540 141855 146217 28629 39492 55726 76619 148249 58084 24702 616.4738 616.7716@1.082 3812 616.7716 617.33@1.3412 5389 6325 10257 6978 5975 617.33 617.3462@1.04475 14931 14963 6614 5797 617.3462 617.4294@1.196 7857 7545 617.4294 617.4765@1.0622569 20022 20365 19134 18449 17979 2542 20878 33201 3986 35223 22592 18953 19184 30447 29151 30543 24466 24470 30795 22987 23382 19374 19878 21869 28332 5812 30272 23153 29592 16424 15403 15264 18048 22947 617.4765 618.3086@1.0825 21616 21036 618.3086 618.3414@1.4395 10222 10519 618.3414 618.3431@1.3219091 24616 23453 67913 27641 9636 6248 6551 5463 10483 6159 6831 618.3431 618.3434@1.4466922 25044 11443 10433 15720 11684 18102 17094 5017 6489 13525 14776 10727 8079 618.3434 618.3914@1.208 5937 618.3914 618.4068@1.202 1479 618.4068 618.4206@4.500461 4065 4280 14114 14219 4077 4071 3566 5758 5859 4246 4355 6642 5490 618.4206 618.4639@1.125 3602 618.4639 618.4731@1.1184546 6821 6365 3719 4318 3736 2139 3310 4108 4314 3711 2363 618.4731 618.4762@1.1010691 3602 5348 7456 3696 7598 4900 6128 42437 6036 11110 14105 5798 5951 11691 11673 3718 3428 4327 9239 8031 6952 4960 4967 33085 129302 6341 43911 4691 618.4762 618.5326@0.9755 2561 3588 618.5326 618.7431@6.010765 10842 9744 2768 19960 20370 47372 47456 10785 10602 30784 28677 32055 27230 4536 4265 6373 6670 4650 4559 14312 14443 16343 16281 13997 13031 2913 36943 35815 3624 18915 19883 7775 7746 2535 618.7431 618.7452@6.04 4886 618.7452 618.9216@4.501143 7473 8284 2959 2918 2530 2771 2980 618.9216 C21 H21 N3 O19 8947 8876 2605 3104 2093 17185 17666 38790 39317 9334 9469 26096 24921 27682 26603 4120 3776 5578 5509 3707 4014 12480 12366 14530 15234 11594 11530 31838 31437 3000 2899 16446 16945 7188 6665 2503 619.0769 619.3466@1.3303332 11667 11654 12118 619.3466 619.4116@6.012 5497 6010 11515 11956 25141 25369 6254 6623 16028 15734 18443 16567 4133 4525 3662 8101 8274 8602 9918 8257 7725 18506 19205 12045 12979 5005 4986 619.4116 619.4147@4.6045 5960 6469 619.4147 619.4335@1.253 2385 619.4335 C30 H61 N5 O6 S 16845 14754 15642 17353 18992 18769 7121 19372 18466 15474 15312 14948 15241 14881 14743 14739 16607 42950 41806 14371 14596 16196 16440 15655 15576 22926 21208 16976 11323 19332 17855 16218 15622 17300 16861 18487 18446 19931 19312 14423 15540 17477 16524 20104 18469 13940 13895 14010 13517 15980 16161 14159 14032 14713 14666 22204 22964 14998 15955 16509 17409 15575 14995 16830 17706 19812 18243 12579 12945 13206 14259 13758 13243 13180 20543 13902 15421 17111 13028 12606 12445 12772 13902 12669 17295 13795 13324 15305 13984 619.4339 619.4418@1.1982499 15803 13149 12184 5738 619.4418 619.4514@1.1424999 9468 2222 2427 7669 619.4514 619.4783@1.1155 2224 5927 619.4783 619.4903@1.0524399 22994 21741 38598 36965 58197 18408 35907 32462 37591 30037 10034 44856 29138 13192 63558 5263 21490 68093 38785 61982 62120 33728 93525 16889 23369 619.4903 619.798@1.078 3913 619.798 620.1003@3.533 7254 620.1003 620.3@6.7545004 27069 26848 620.3 C31 H40 N8 O6 20181 19876 24755 27647 18179 17060 39811 41391 39533 39349 27452 27977 38309 38181 18921 21408 24549 25098 15383 15248 30818 30500 10044 10302 17408 18378 38460 37590 9894 10632 39783 41841 24692 23371 17097 17565 25257 23933 17431 17368 89157 90708 12994 12624 25837 27057 32597 32194 41028 42799 14997 15976 9045 8605 38593 36534 19362 19110 4658 4504 17628 17520 33058 34465 16759 17251 13493 13862 44643 43290 103453 102841 52516 51604 42029 41804 29435 19772 28155 17269 18112 18713 17585 16282 16086 17276 14761 15256 41386 40347 30714 30815 620.3081 620.3084@1.0404999 2168 1461 620.3084 620.3855@6.611 6499 620.3855 C20 H52 N12 O10 8161 8873 6935 6855 11874 11211 4601 4244 9299 8395 9462 8886 4658 4528 6726 6852 22541 22535 42352 42973 8647 8924 15640 15064 18215 18250 25537 25800 5514 5881 12050 12185 12680 12881 7729 7409 13668 13418 10492 9348 14542 14082 9594 9774 14533 14645 21474 23072 9643 9386 8280 9384 18629 18509 9928 8943 10388 10266 22962 23421 7311 8466 7703 8311 6464 6065 9756 9564 8151 8330 6710 7418 7876 8149 8030 8484 7528 11671 13069 13296 7693 8062 8029 8807 8687 8851 8632 11432 11352 8771 1725 620.3924 620.4235@1.126 4803 620.4235 620.4373@1.228 6057 620.4373 620.4448@1.1115357 5952 3787 3339 2073 5678 4161 3991 5517 3618 3809 4797 6154 3870 6930 4918 2755 2163 8932 3059 3674 3364 5990 5640 4141 4562 3403 4534 6024 620.4448 620.4558@1.1065385 7200 10209 3091 4363 7530 4006 2280 5696 6018 3587 3578 7461 4576 620.4558 620.48@0.97021437 7077 5247 12445 14567 6627 7045 10164 9669 8590 11856 21262 54482 13884 15898 620.48 C17 H7 N3 O17 S3 4675 4590 3324 5183 6187 4540 4619 4372 3996 3262 3284 11965 13181 23094 23422 4464 4660 8656 7865 9337 9251 14012 13468 6264 5822 6027 5829 3461 3567 7539 6758 4995 4453 7450 7186 4515 4810 7302 7825 12368 11751 4904 4540 4101 4143 9767 9696 4913 4779 5008 4927 11650 12413 4237 4052 3841 3783 3299 3428 4738 4592 4216 3922 3149 3604 3800 3624 3753 3741 3428 5810 6862 6014 3508 3846 4269 4558 3944 3975 5549 5257 3972 4002 620.8936 621.0755@1.6155 3769 4154 621.0755 621.0866@1.6089654 3386 3091 3159 2977 2692 3154 3050 4946 4546 4469 4188 3035 2812 4838 4728 4052 4137 2603 4699 4667 3849 4373 3138 3109 3159 2754 2650 3903 621.0866 621.1344@5.6077056 1983 1447 1662 1702 1638 2346 3258 1630 1563 1748 1887 1490 1644 2268 1944 2064 2069 621.1344 621.3075@1.087 2343 621.3075 621.3251@1.007 2570 621.3251 621.3537@6.453 3842 621.3537 621.3594@6.461406 3085 5353 5531 3956 4050 2764 1817 2753 145674 143850 3023 48427 47738 2223 2691 3418 3268 2772 5075 4845 3174 2933 3029 3836 11983 12129 3219 3294 3321 8387 8056 3457 621.3594 621.4395@1.0845001 4471 1890 621.4395 621.4624@1.0715001 3294 3458 621.4624 621.4672@1.0685556 3569 23958 4595 5666 5551 5687 4274 4998 5512 621.4672 621.4748@1.0567143 4561 7009 6586 7032 6363 16672 5982 4896 4985 4500 4260 3694 9015 6405 4231 12124 5876 15504 4026 6274 621.4748 621.4895@0.98766667 2343 4537 3467 621.4895 621.5047@1.207 11506 6639 5735 5734 5173 621.5047 C24 H22 N4 O14 S 9037 9548 5159 4960 8066 8083 6585 6895 4161 4569 4809 6281 5877 5940 5968 9550 9772 7338 7071 5599 5487 5980 6072 6440 6803 8163 8791 7199 6803 4981 5317 13658 13971 5251 6027 13467 13046 8962 8135 6307 7186 5037 5431 14078 13617 6768 7586 6830 6659 12631 12353 6827 7422 13654 14521 5642 5642 6408 6696 7635 7174 2787 3224 7302 7024 12408 12486 8616 8104 9413 9219 9828 8642 8918 10894 10416 11178 10649 6736 6809 5578 5535 622.0851 622.2842@1.204 7633 622.2842 622.3388@5.6291995 7742 7331 19714 19737 3021 3443 7452 8817 2960 3444 622.3388 622.451@1.1122 3895 23446 2552 4902 622.451 C37 H59 Cl N6 5004 5508 5757 4157 3278 3889 4914 5738 4014 5043 4414 4645 4491 6393 6273 5412 5713 5537 6576 6344 6936 4878 5635 4707 3667 5178 5841 4344 5365 6037 4086 5657 5149 4485 6036 6318 4297 5681 6519 5629 4321 6649 6643 6641 6230 5070 5355 6179 5542 4193 4749 5001 5902 3793 6248 5514 4228 6223 4895 5574 6331 6877 2308 7052 5193 5510 5086 5562 4792 3939 5455 5860 6003 5730 5047 622.4513 C27 H54 N14 O3 3407 4355 4333 5256 6297 1792 4538 5735 5993 6114 5871 6827 3782 7835 6257 6988 2005 1919 6641 5948 4308 3516 5885 5827 3764 8203 4084 4857 8988 8508 5873 5337 3753 5957 5940 5642 3244 4400 6256 5277 5682 2713 2521 4246 6114 6329 5258 5015 2314 7847 2530 3339 4678 1967 4134 4759 4352 5035 5061 3930 6383 3392 5553 4240 5460 11020 11013 5687 6023 7313 2583 6993 5068 7295 8431 6843 622.4515 622.4516@4.2706003 2899 1872 4466 7745 3313 622.4516 622.4518@4.4507003 4574 2964 6190 5153 5097 3154 5244 6317 5555 2180 3810 4050 5339 2633 4614 2669 3633 5673 4636 5813 622.4518 622.4561@1.0844392 2090 4178 5812 7601 3915 4203 11696 4988 4244 8021 14886 6523 6340 2625 4605 2580 6092 5703 4224 8250 3086 4858 13624 10568 5195 5401 3809 3905 5889 3412 7150 29562 8248 4839 4288 3064 4088 3726 5470 4477 12982 622.4561 622.4796@1.0624348 5225 6102 4416 7065 2828 2313 13061 2505 2476 3644 4421 7080 6687 4000 2486 3643 6263 3888 6723 8912 4809 2549 3160 622.4796 622.4953@1.0457778 2170 4287 4688 4025 2551 2646 3069 3439 6318 622.4953 622.5061@1.026 1320 622.5061 622.9466@4.39 1734 622.9466 C19 H5 N5 O20 4451 3207 4911 3498 3965 3470 3698 3668 2983 3482 2196 3158 4714 3777 4497 2772 3907 4551 3032 3318 2748 2908 3092 2955 3883 2780 3251 1724 6176 3747 3075 2941 3633 3421 2392 6033 3227 2425 3292 2036 7165 9071 3975 3679 4245 4363 4151 4994 3114 4405 622.9529 622.9537@4.560455 3681 4539 4214 4955 2893 5007 3764 4108 3016 4713 3388 622.9537 623.2284@0.975 18567 623.2284 C40 H34 Cl N3 O2 38167 37789 43274 39775 38714 39909 28418 29078 28562 29676 26867 26667 26633 28269 27054 26719 21527 24401 24451 24682 19612 19603 21448 21892 21062 21115 12009 12489 18136 18657 24720 26021 40754 39352 28382 28190 28698 27718 17844 17630 16826 16103 19524 19378 22116 26399 17436 17059 25026 24999 15142 14960 19955 19522 24946 25381 17149 16433 12800 13452 23662 24971 17512 17463 19503 20260 9087 11242 14325 6703 19822 21388 21476 21687 19858 19973 6663 16103 15600 16939 17201 21364 20029 18534 18398 18005 11204 12805 8704 11264 1835 19697 623.2339 623.2406@1.018 1914 623.2406 623.4175@5.9765 2896 2579 623.4175 623.4349@2.023091 18473 4676 6937 3168 3455 4745 8262 13742 3845 18184 623.4349 C35 H61 N O8 30884 31336 24964 25686 68186 66668 9036 3620 11068 7999 3765 5800 12528 9621 9639 10344 44735 44778 3153 7517 6491 3103 12885 8080 9415 5877 3870 17019 2795 3341 10074 27685 26645 17502 17013 47692 46130 19760 19221 623.4398 623.4425@4.6519995 5811 6580 4105 5394 5473 623.4425 623.4446@2.751 13211 623.4446 623.4476@2.0839999 5139 9546 3975 3443 623.4476 623.4611@1.0873333 8218 8324 2300 1522 4545 2129 623.4611 623.4722@1.0827143 2822 4114 3436 3357 5901 3008 3895 623.4722 C31 H66 Cl N5 O5 14416 10058 2672 5771 6311 4605 3992 8060 7523 5470 17212 4088 3620 7832 7560 8179 7310 6940 13118 12966 6816 9266 5418 27027 4973 4964 4550 4149 4564 3819 2004 14130 1982 3506 2600 6140 16207 15777 3888 2687 7800 5106 5416 12100 6716 5029 16688 5672 623.4797 623.4882@1.041 4130 2858 623.4882 623.5182@0.998 6149 623.5182 623.7516@5.975 2662 623.7516 624.0853@1.058 6485 624.0853 624.2087@1.1784999 7958 7605 8049 5499 624.2087 C41 H28 N4 O3 6525 6145 6916 6935 5302 4891 5495 5208 5130 5112 5912 5374 4627 4956 4004 3710 4496 5669 3556 4327 3770 5337 5370 4289 4453 7323 7574 4437 4725 5957 6398 5010 4366 6596 6078 7819 7411 4407 6656 6959 5224 5863 3701 4767 5025 4799 9360 8567 5857 6244 6503 5793 4389 4530 5039 5469 6689 6582 8001 4229 4494 5925 624.2159 624.2334@0.9755 8919 4597 624.2334 624.2778@1.206 2667 624.2778 624.4368@2.013 6837 624.4368 624.4436@1.07 3902 624.4436 624.4613@1.0853333 3177 3042 6275 3935 4418 3493 5460 4365 3792 624.4613 1-(9Z,12Z-heptadecadienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol 13777 6583 6759 5231 5323 6770 6352 6023 5732 4794 5421 7207 5946 7026 6931 6883 5717 5983 4453 4574 9577 5401 5490 13007 7568 14477 4525 4956 2755 7006 3213 6319 3959 5688 3952 3928 6288 4226 4834 10789 6150 3479 5984 4197 4885 5486 12746 7249 11834 6541 3986 1738 4895 624.4746 624.4879@1.039 2956 624.4879 624.5155@4.354 4367 4213 4293 4244 4054 4593 4068 624.5155 625.2314@0.9805 6193 5440 625.2314 625.3325@1.2035 5268 5239 625.3325 625.358@1.0531111 10420 11129 3862 3444 2312 2067 2113 3065 3243 625.358 625.4711@1.065 4829 4343 625.4711 625.4838@1.0782 2092 8414 5285 12464 4151 625.4838 C40 H67 N O2 S 2375 16167 17158 9112 12856 13021 3708 8749 24935 3477 3381 18935 15244 12122 4340 4227 14301 9835 9468 17250 17738 11099 14210 6638 11032 4120 21434 7683 7682 8886 3730 10916 6704 6672 9166 5163 5192 4430 4904 11259 11686 15219 7713 8346 3640 5732 7470 6188 5682 25170 24598 8520 12012 7692 28757 10884 29612 16242 5612 4901 7053 12482 12473 4142 9059 7522 625.4919 625.4962@1.053 12946 625.4962 626.2317@0.9789474 5289 5767 6390 6326 6554 6043 4079 3992 4391 4835 4560 4582 6074 5951 4465 4025 4153 4289 3671 626.2317 626.235@1.753 8542 626.235 C39 H34 N2 O6 7133 6947 8944 8944 4691 4398 5669 6627 5604 3402 5231 5640 4592 4317 3810 5061 3654 4300 4660 3933 4354 3404 4625 3384 4739 5424 4338 3803 2913 3575 3825 4701 7110 3763 3720 4178 3725 5916 4565 3809 5017 6795 6072 4325 4994 6967 3101 2802 3863 7516 626.2432 626.3122@1.2055 8667 12630 626.3122 626.3181@6.4756665 15940 6801 6634 626.3181 626.3984@0.7345 3342 3651 626.3984 626.4195@4.6495 3843 4615 626.4195 626.4229@1.1865001 23737 21721 626.4229 626.4604@1.0889999 2665 2280 10136 626.4604 626.4695@1.0703 8798 11954 11184 3865 10629 9994 6650 4198 4128 7811 3638 8477 8875 11805 4623 7846 2967 4144 7779 4177 626.4695 626.4749@1.0648696 2703 6850 6580 5983 7504 2040 3500 4519 4388 7563 3689 5756 4340 3375 3906 6465 6268 5443 5043 5895 4953 6099 626.4749 626.5324@4.391 4901 1440 626.5324 C39 H70 N4 S 21247 14245 14088 14166 18581 17328 21300 21862 18662 21304 14095 13613 14483 14154 14307 13464 21797 20365 21439 23486 24702 23963 12880 12124 24959 27480 30746 30295 23517 23081 20721 19568 13309 14068 15576 15470 19431 19983 25308 25365 16412 16454 24146 26919 18643 17455 16786 16530 22054 23851 26082 27154 23095 22824 23398 23624 25494 24568 22416 22607 19723 18662 22715 22375 18933 19767 20933 20697 17648 17619 18465 18250 18385 18542 19991 18309 22331 10626 22563 16094 16648 17372 16661 20867 26367 25721 18568 18490 30821 34613 20765 20465 626.5326 627.1552@5.618 1272 627.1552 C21 H29 N11 O10 S 4629 5384 4375 4810 14327 12936 5308 5632 4412 4504 7657 7595 1863 7905 8024 6132 5195 6753 6796 4793 4818 18582 19289 5616 4855 3839 3239 7338 7177 1939 2547 4725 5050 15089 15196 4498 4267 19433 17333 3759 3494 9080 9341 6951 6513 9975 9433 4113 3986 13306 13664 10526 10828 4626 5223 10292 10716 19124 19457 15201 15874 3900 12344 12346 13628 14171 11625 11170 3353 3448 4627 4881 3522 3846 9870 7120 9453 7238 6683 10082 10560 10805 15544 15687 14459 13257 19450 19172 13081 13694 627.1814 627.1814@2.04425 3543 3588 2655 2633 627.1814 627.2263@1.171 13037 7850 16434 627.2263 627.3167@1.205 7005 627.3167 627.4014@5.0305004 4220 4576 627.4014 627.4037@5.0924997 7218 6451 627.4037 627.495@1.221 7106 627.495 627.4955@1.1168 5123 3025 3106 2020 5976 2341 2298 6513 6253 2947 2461 6608 39505 6533 3330 627.4955 C32 H65 N7 O5 5120 5718 6181 13909 11960 5827 6388 4021 8713 6085 6704 8868 3399 3655 13610 10886 4324 4639 10897 11402 2112 4137 8614 9041 9298 9064 12079 11130 8209 8731 5906 6297 7133 4642 5893 4835 8467 9025 9791 3041 4472 10217 11209 7350 9512 10512 8981 5150 5396 5836 5655 5870 5874 12865 13028 11391 3951 3782 7301 7817 8574 7411 7667 7543 6026 15937 9998 8099 8230 7051 7274 7707 8556 13964 4098 7223 9940 11300 8061 6253 6969 4882 7961 5307 6727 5494 5161 5734 627.5079 627.5096@1.0496666 4725 6351 26506 627.5096 C29 H21 Cl N16 5393 2990 3391 4038 3994 6152 6190 3128 3285 5264 5278 4616 4141 4249 4328 3700 4060 4578 4120 4003 4069 5937 5015 10486 10440 4173 4645 3993 3985 7783 7018 2485 3570 3641 5934 5717 3475 4233 4481 4319 3785 3831 2417 4213 4017 4351 4233 9295 8705 3009 3458 4155 4087 5164 4653 4702 4175 4684 4716 3973 3821 4488 4487 4759 2656 2868 5105 4980 3243 628.1817 628.1933@2.061 4997 628.1933 628.2359@1.046 3930 628.2359 628.2516@1.171 2763 628.2516 628.2715@1.17 3118 628.2715 628.277@3.2945 4012 5710 3923 7922 7659 10980 628.277 628.278@3.35 3702 628.278 628.2804@1.1739999 4103 2097 2348 628.2804 628.3879@1.9955001 11323 7931 628.3879 628.4514@1.0864333 29320 29566 17417 6900 57866 7888 25457 7034 15229 3146 2706 4035 14829 3047 4920 4370 3707 4361 4469 9842 31456 2960 7907 16119 1744 4226 3757 42908 33095 18969 628.4514 628.4573@1.0848 5189 6334 9081 11887 6262 5064 14375 31123 7375 4703 3461 2831 39021 4301 2423 19354 1657 6635 12726 24368 24057 3227 29930 4654 36935 16022 27909 23956 14394 628.4573 628.4677@1.0739377 3689 4951 4677 26962 36569 18800 6274 17142 5968 15145 19328 12979 4450 13436 12269 16501 14159 4002 3172 24626 26908 8387 12491 19235 3176 54935 8812 5592 16689 6233 9127 11774 628.4677 628.4722@1.0619091 13113 14905 7218 12705 4325 6142 35369 10116 13150 3311 1857 3255 3414 39144 7121 29013 15340 5835 6475 2843 13338 13514 14729 4854 17103 1575 18152 25485 5757 3727 3769 7526 15618 4446 13158 12670 5697 1978 9744 10494 26311 1989 6822 628.4722 628.4875@1.0536666 5781 3074 4167 628.4875 628.5769@1.057 7722 628.5769 C28 H31 N5 O10 S 4179 4383 8189 8585 4060 4041 12418 11929 4022 6648 10462 9387 8866 8691 7698 7405 7692 7560 3555 4190 3205 3034 7267 8022 5640 5503 10696 10431 20227 19577 8544 8039 8501 8236 14860 14453 2986 3011 6715 7358 11313 11259 5449 5515 8578 8085 7409 5712 3006 3026 8321 8629 6326 8640 17908 17883 4247 4496 5954 5803 5118 4942 10248 9018 8835 8561 6870 7710 5132 5615 5795 9086 6199 3091 3284 5384 3644 10067 9717 3627 4290 629.1797 629.1883@2.0605001 10543 10606 629.1883 629.2075@1.184 3011 2716 2935 2553 5349 4426 6662 2950 629.2075 629.2981@3.30525 7731 7474 8221 8184 629.2981 629.4302@1.1825 19776 6060 629.4302 629.4554@1.121 1804 629.4554 629.4685@1.09 4108 629.4685 629.5124@1.0 6640 629.5124 630.2291@1.191 14081 630.2291 630.2312@1.1891667 8600 5641 4766 9855 13017 630.2312 630.2334@1.74675 10192 9893 20351 17511 630.2334 630.4375@1.2095001 8601 3548 630.4375 630.4505@1.10765 2298 3733 2557 3677 24477 31542 6257 9107 5722 25961 3576 4815 7472 4473 6020 2540 2156 9358 16757 3514 630.4505 630.4532@1.0828 48427 12027 16977 8064 51883 630.4532 630.4684@1.028 6108 8530 630.4684 631.2158@2.015 7467 631.2158 631.4335@1.2047999 28253 8339 3331 8426 8221 631.4335 631.445@1.0725 3278 2809 631.445 631.4579@1.0773749 5369 5171 5852 3797 5189 2554 5099 5096 5450 3235 3912 3869 1753 6100 2943 3175 631.4579 631.4685@1.056 2321 631.4685 631.5197@0.99404 2610 3271 4900 5875 4972 6428 4627 4743 3971 6236 6118 6304 4478 5257 4146 2058 4921 5365 5446 4934 38371 7910 6700 13775 5272 631.5197 631.5203@0.995 4614 631.5203 632.1537@0.75879997 4300 4599 3096 2017 2050 4388 4032 1888 4453 4066 632.1537 632.2472@2.5275333 3379 3426 6717 3984 9097 6417 7690 23926 3984 13552 17279 9262 17818 8298 632.2472 632.2479@1.6259999 8921 9549 632.2479 632.2531@2.728913 4747 11911 17621 16162 8109 8851 3678 6369 9722 15442 16440 4709 10685 22916 13743 10332 19164 6487 7169 8081 7628 14388 13389 632.2531 632.2539@2.5765 6077 4319 632.2539 632.4379@1.206 10817 632.4379 632.4572@1.119 4497 3425 632.4572 632.4647@1.1042646 2633 4875 1992 5711 8017 9798 7583 2863 13603 14307 3831 6824 7413 6682 9983 2304 25591 3433 16653 4575 14246 5696 2670 4781 2777 3097 4519 6083 11248 43050 16890 3013 9110 25172 632.4647 C43 H65 Cl O 20544 11289 16523 14375 25160 24920 4944 22439 10656 21573 7446 41587 48082 17258 11075 4146 11953 31213 31544 16615 35498 6792 16469 18427 5198 4873 12045 10322 36667 4224 6309 13504 18393 21178 6758 4783 22174 26155 11702 178293 13757 632.4666 632.5064@1.002 21985 632.5064 632.9469@1.2084999 2185 2245 632.9469 C46 H19 N O3 6789 2452 2590 3669 3207 5192 5200 2697 4413 3954 3445 3763 3018 2942 2858 2999 3244 3292 5323 5549 4179 3881 6418 6620 3023 2970 4326 4303 5646 5509 2175 3035 3107 3764 3543 3458 3265 3431 3517 2958 2941 3569 3895 3967 4220 5000 5262 2404 3334 3195 2813 3333 3836 3226 3217 2973 3977 3675 2949 3178 3195 3287 3650 3467 3210 4271 4403 633.1358 633.145@2.051 6313 633.145 C21 H51 N19 O2 S 9018 9413 17277 16931 38838 40635 9824 9621 26252 26796 28547 28199 3767 4036 5840 5569 3617 13751 13482 15654 13915 12188 12166 29598 31567 16713 16840 6920 7346 633.4189 C22 H51 N17 O5 11814 11409 5056 5418 50632 51248 19663 20791 13433 13444 9159 8931 78322 79356 211481 214487 13924 15163 60217 60605 71765 70574 99460 95530 4268 5491 30960 30201 31389 29848 15722 15712 30112 31135 27023 27510 28800 30282 68904 69151 15930 15737 5997 6059 48591 48030 11601 11142 11618 11197 84793 87173 13347 15395 12692 12547 6985 7741 15803 14221 16364 16023 45561 44052 6886 633.4267 633.4273@4.5448484 5100 5318 13990 13260 18666 17998 6557 6357 11687 10404 12494 11876 4442 4440 3656 5455 5531 6590 6706 7720 7826 7563 8256 6277 6811 7489 7068 14963 13892 21991 23151 11978 14308 633.4273 633.4487@1.646889 4874 3843 6079 3204 6278 3927 5645 6707 4185 633.4487 633.4489@1.1735001 13802 4591 2013 8719 4960 1843 633.4489 C31 H63 N5 O6 S + 1.7383369 34328 37281 27929 25382 47522 46914 29886 31879 42088 42549 12387 14528 23713 24029 13236 13342 28528 27709 265440 260519 36542 34811 63480 56365 37368 37805 109342 107314 5098 10720 29435 31376 45550 44908 21750 16452 42325 39691 33322 30479 63206 62890 19849 20781 42230 40606 64754 71815 25891 28109 22381 23302 48459 53680 27587 29247 17228 17600 101712 108902 27104 24203 42125 44123 24644 24305 26074 30491 32974 28430 24682 24561 24351 24506 24821 20812 12058 12173 28729 30621 15932 14269 14704 24506 23413 20567 18768 31469 31949 26218 26776 633.4494 C31 H63 N5 O6 S 152040 153914 132463 133382 228458 225460 134431 136762 186550 190184 64224 64116 92439 96291 60615 61511 127023 126743 17143 17734 160243 161598 276290 276558 163050 167039 499093 488202 49148 44352 133311 130213 225383 221329 97268 96833 178912 181346 137881 142574 273394 292858 85411 87773 203374 202853 333937 334725 121448 117633 107914 104729 268787 260638 130289 126678 88875 88534 516607 521118 85918 114820 184233 182970 104847 108378 136705 134795 146098 140243 98236 99024 109707 112495 93808 94087 62941 54955 64268 134203 135133 66532 67216 66291 99355 97169 89573 94423 142019 143156 111173 110694 633.4503 633.4507@1.1296664 3900 3036 6459 6191 1286200 1282123 5994 6431 2441 12083 8535 5803 12710 5462 3605 3587 5476 3311 1916 7991 7216 4334 2620 5733 6341 6921 633.4507 633.4696@1.0801499 4632 2248 7230 5395 17674 9328 4966 14328 5159 5875 3409 4231 5727 4960 4325 7652 22949 24306 4144 5673 633.4696 633.5369@0.9917623 22285 23991 7523 7379 4207 4944 13391 11069 8627 4973 33713 9292 5523 5741 34745 17607 9753 7061 7895 4977 5591 10262 7467 22143 14565 8862 9471 3025 7244 8068 35714 18361 8094 8604 10331 9246 11996 12000 10154 7431 8942 10271 3720 4856 8054 7270 31983 30479 6756 7050 13231 13692 23308 22664 30840 11206 12812 6528 16835 15472 15433 5888 6389 6818 16639 16443 7944 8156 10507 8840 8730 9703 9902 9345 9006 14754 15149 6689 6335 633.5369 633.7439@1.217 4227 633.7439 633.7533@6.0966554 7110 7123 15460 14547 33142 33485 7828 8661 21491 21720 23982 24502 3675 3596 4493 5047 3029 10579 10535 12086 11448 9581 9711 27480 26801 14435 14287 5675 5459 633.7533 633.7617@1.2155001 2435 1532 633.7617 C19 H7 Cl N2 O15 S3 20402 21816 22943 22026 23518 24285 25674 24275 24331 24284 21849 21957 22087 22793 22627 23762 22329 22816 22708 23863 21646 22005 22797 24022 25520 24361 24812 24250 25319 25845 21212 21029 23355 22313 25380 26182 25644 24886 26006 25301 21736 23126 20956 21428 23814 23774 22621 23428 24639 24556 24438 24726 21688 22232 24579 24417 23917 23645 24878 25075 24181 24470 23472 23676 27234 28060 23205 23862 21839 21612 23801 23172 24915 25418 22784 22823 23831 22416 24388 23695 24242 25388 25694 24847 24561 24634 25266 24681 25376 25403 22572 21842 633.8722 633.8966@1.219 1390 633.8966 633.913@1.214 1485 1659 633.913 633.9199@4.560641 7537 7835 10746 9666 3141 3476 6448 6256 7608 7501 3350 4057 3780 4025 4001 7124 7516 4031 3290 8662 8143 13338 12193 8129 7239 633.9199 C22 H6 N2 O19 S 6136 7014 2087 2788 30822 29539 11886 12063 7495 7143 4196 47618 45989 127564 126085 8338 8680 36265 37584 41511 41942 59313 57788 17209 17246 18934 18748 8714 8758 17653 17271 16437 16520 16665 16591 40515 39860 8717 9315 3657 3102 28018 25408 6854 6496 7262 6036 51774 51488 8408 7833 4442 4178 8483 8732 8861 8649 27239 25977 3821 633.9277 633.9864@1.233 1162 633.9864 634.0271@1.215 2302 634.0271 634.0374@1.2205 2284 1727 634.0374 634.0688@1.211 6799 634.0688 634.087@6.095583 4511 3600 8491 8699 19022 19397 4364 4058 12779 12630 13865 13637 6476 5506 6520 6960 5128 5024 15941 16059 8067 7936 2925 3175 634.087 634.1264@1.2155 4894 1260 634.1264 C25 H26 N6 O12 S 4729 5047 6687 6536 4305 4221 9293 10192 4923 4761 8495 7263 7127 7021 5638 5813 5355 4986 4121 4020 3429 3438 5826 6058 10034 10209 7556 7190 11900 12801 5759 5621 8710 7517 10992 10767 3746 3689 5204 6010 7255 7289 6482 6298 5798 5369 5520 5154 3753 3071 6882 7038 7502 7311 8733 10349 4652 4998 5668 5555 5447 5883 6172 5687 6362 5383 7367 6800 5654 5364 6513 6083 5550 3168 3206 4349 4183 6533 5913 8040 7623 634.132 634.1413@2.0514998 12821 13165 634.1413 634.204@1.211 2767 634.204 634.287@5.708 2060 634.287 634.2931@5.719307 1260 1402 3428 3429 4223 4076 2688 2672 1723 2166 2062 1344 4275 4315 1462 1594 1972 1490 1293 1937 4464 4304 1747 1722 2893 3373 1698 2349 1722 1806 1998 2405 1390 1715 1416 1559 3644 3233 1303 634.2931 634.3645@0.9165 6971 6718 634.3645 634.4193@1.128 36559 634.4193 634.4312@1.128 12192 8726 2688 12104 11387 634.4312 634.452@1.17 2268 5550 6471 634.452 634.4523@1.652 3191 4042 634.4523 634.4527@1.056 2314 3014 2120 3802 9314 27299 57106 22267 23899 634.4527 C37 H66 N2 O2 S2 12958 12868 18487 17256 19300 18965 9518 14109 29090 26712 15554 26727 26248 31451 22018 23776 24163 27709 28731 29526 28025 17663 21645 22408 25470 24103 24597 10420 18774 25227 23006 23917 22875 16316 15017 24920 24209 12385 10291 10416 7836 20313 20578 22263 16715 12595 11297 17633 23801 19627 16139 30567 44963 32583 32811 37587 28574 23327 18637 28491 38108 634.4562 C38 H66 O5 S 17554 3626 1876 13138 11269 18711 18412 25271 12187 43024 34961 27388 17724 21950 13501 16421 3826 13289 17983 15337 20448 9609 24850 24938 22233 31943 19116 17201 17368 8014 7716 12274 14632 46766 10740 5283 3868 17847 6147 9465 27013 9028 17662 18988 22490 18941 14122 634.4582 634.4718@1.018 3397 634.4718 634.476@1.0816969 12678 15569 44084 43990 11146 24492 24943 10158 13175 12862 23937 9649 24909 10698 14813 5336 13738 16843 19281 12012 15038 13181 18795 20660 17207 12109 14356 13095 15215 31356 9938 13944 634.476 634.5217@1.013 8124 3819 634.5217 634.7595@1.216 3709 634.7595 634.7793@1.217 3529 634.7793 635.3979@1.1175001 24087 24245 635.3979 635.4083@1.125 1974 1749 635.4083 635.4363@1.128 2628 635.4363 635.4527@0.968 7613 635.4527 635.4555@1.222 8772 635.4555 635.4584@0.9838181 3372 4226 5387 3636 4291 3484 5048 2020 2909 3368 3991 4217 4183 2816 2801 4320 3297 4104 3641 5496 7158 4318 635.4584 635.4749@1.0926666 9767 6693 4197 7533 5874 2871 635.4749 635.4805@1.0804211 3450 2256 3785 4707 6733 3595 2737 4348 4656 4295 5333 4890 5832 5646 2301 2924 3480 6004 9552 635.4805 635.4937@1.0595 3058 2368 635.4937 635.5044@1.045 1861 635.5044 635.5425@0.9913416 8890 12288 11063 12043 11244 7562 7418 7348 12686 11044 18327 4807 12133 11843 5384 7927 9743 9172 24140 25480 14959 10941 16112 11195 14894 10006 8074 9577 8062 10538 15497 18650 25720 13185 13491 9586 9103 19027 18657 8556 7654 635.5425 C34 H74 Cl N5 O3 13525 14095 14264 7453 22529 26998 14151 24100 9104 21399 17318 7173 9290 4303 16538 21366 13045 27784 32744 33408 19739 10713 11183 11559 19064 21622 38339 23963 38103 17152 8408 7916 8592 17596 17140 14713 9030 7628 22929 12208 15352 33169 635.5496 635.9082@4.6235 6513 6107 635.9082 635.9116@1.219 1189 635.9116 635.9529@1.211 2199 635.9529 C36 H36 N4 O3 S2 4824 3747 3743 3283 4777 2501 3711 1904 4551 3022 13928 3252 15168 2660 3001 14365 3268 3269 10715 5599 4235 3450 4259 7992 6849 8034 19639 14889 3804 6957 5004 636.2188 636.2244@1.5431 5998 8542 11173 7832 7807 7281 6823 10859 10891 7575 13881 17815 9480 10384 12398 8284 6754 2241 6966 3552 8588 8566 10297 12091 13538 15357 13577 13661 12292 9238 636.2244 C45 H32 O4 4264 3752 5496 3439 3088 2731 4800 4628 5748 6191 5944 2764 4227 6542 6570 4201 4186 4156 4099 5223 5075 4701 3216 3576 8406 8219 4724 4100 5843 6181 2237 3460 7343 7640 3789 4557 636.2322 636.2445@1.2165 2846 2716 636.2445 636.3039@1.0785 10400 13378 636.3039 C35 H44 N2 O9 3313398 3334402 3501018 3525198 3344494 3316586 4957253 4976481 4354459 4365764 1711077 1710902 1828704 1710868 1319482 1325317 1095780 1084998 1266946 1262158 1825204 1826487 2006349 1995279 1206210 1195844 1808102 1788154 1155314 1148117 3595456 3599789 3064554 2826173 3660116 3643384 2902758 2880247 4335441 4314866 2863717 2896795 1239579 1247897 1626192 1611069 1634763 1627638 2081223 2057264 2523795 2523727 2175683 2170424 1984949 1946688 1436047 1435902 3144153 3136192 4073086 4115585 4094991 4093940 3456487 3497588 2851077 2873394 3603625 3562797 3077903 3077566 2483801 2477628 2069131 2066204 2304740 1814759 2306305 1445542 1443174 1477128 1442827 1400990 2761139 2705493 2359199 2342210 3966448 3975636 2517086 2472946 636.3055 636.4199@4.625 2017 636.4199 636.447@0.975 2477 636.447 C28 H56 N14 O3 11154 8018 6849 7021 2858 3197 7895 6152 5677 7776 5440 8975 8863 7770 4188 7421 4911 11155 3427 7737 7136 1761 8675 12669 10737 4308 3341 7412 11802 9935 6949 4265 5452 8713 7538 3113 8728 8014 5405 2982 2990 4758 9183 5905 3993 8757 7205 4389 4384 7801 5146 13736 7744 7304 8660 6968 5569 6119 7951 7142 6173 9164 4730 4398 5410 5942 10753 3695 2956 4344 9684 8791 5646 18012 16104 9273 4967 10489 11862 8183 11303 9383 9096 7646 2645 6506 636.4672 636.4674@4.221667 3837 4825 9980 6988 4723 4848 636.4674 C31 H64 N4 O9 7212 6685 6221 7108 5343 6371 3616 7412 7088 7918 8044 6236 7078 6869 8811 8314 8365 10116 9775 10067 9677 9330 10767 9311 9453 8702 8010 10241 8324 9722 8756 8447 7553 8024 6542 7521 6207 9005 8435 6609 7214 7785 9698 9922 9283 9284 8215 9431 13986 7596 9315 7563 10564 8671 11643 9278 11536 7240 7589 8086 6442 9181 7696 5898 7538 9680 7021 10043 11413 9767 9806 9528 6277 8016 8942 8335 11802 11144 10090 10115 10959 11133 9913 10207 9127 11083 8809 9510 9725 636.4675 636.468@4.409767 9419 6596 5157 10195 5840 11829 9730 13849 6350 11292 2746 9529 3826 6665 3063 5287 5980 4202 9572 8845 6352 7975 8423 7406 7201 14084 10951 3627 13054 5698 636.468 636.4701@1.01325 1753 1275 18586 19039 636.4701 C36 H76 S4 20250 18972 22934 37216 21185 27912 24854 5510 27707 29109 10905 10271 19595 13766 28712 12080 15694 18228 17276 23854 24819 7650 7012 15468 15589 20813 20276 13331 24542 16775 21776 8224 26506 8673 22421 21043 27029 21193 22205 20807 16256 16918 10436 10399 7409 18967 636.4849 636.49@1.0788 22481 15569 17046 24317 16269 636.49 C35 H68 N6 O4 14212 7937 20684 14255 7028 11904 3753 11489 10230 13787 8648 14393 11249 5545 12497 7820 3280 6859 9501 7641 8317 9503 12661 9591 20500 3646 7544 10830 7911 4990 6399 4367 11532 8838 10269 20494 10634 7184 636.5282 636.5323@0.9959615 2792 3079 2786 4440 3903 24589 10136 6365 6506 6991 5216 8624 2267 5313 2420 7010 6405 12994 3302 3462 8489 6311 24456 9875 5869 7824 636.5323 636.6868@1.034 1155 636.6868 636.7168@1.02 1744 636.7168 636.7258@1.028 2302 636.7258 636.7378@1.012 1433 636.7378 636.7581@1.0182002 6315 1538 2480 4025 4234 636.7581 636.7705@1.0215001 3551 1885 636.7705 636.8135@1.018 3915 636.8135 636.8182@1.0153333 1672 7101 3108 636.8182 636.8274@1.0166249 6194 3147 5643 3989 2401 8477 6007 3430 636.8274 636.8493@1.0173334 2432 2448 3491 636.8493 636.8662@1.02 1211 636.8662 636.8762@1.0166667 2467 4103 2005 636.8762 636.8849@1.024 1424 636.8849 636.904@1.0195 4764 5187 2511 1443 636.904 636.9108@1.0231667 1631 1862 4671 3192 4252 2468 636.9108 636.9278@1.0086666 6024 1954 1197 636.9278 636.9431@1.008 1373 636.9431 636.9509@1.0125 5053 2119 636.9509 C20 H7 N5 O20 4042 4249 4290 2557 3625 3665 8904 6701 4699 5094 4373 4862 4145 6682 1129 4779 2794 3353 3474 2221 6630 3727 4944 1871 8809 6725 4743 1758 2974 10028 5889 7214 2366 2192 4973 6839 5957 5427 8585 6042 4879 5887 636.9684 C20 H7 N5 O20 + 4.423709 3489 6029 7342 5396 4673 3601 5862 7023 3488 3667 5752 5892 4764 3270 5198 5158 3943 4705 5649 4962 6508 2517 2031 4845 3697 3630 4056 5241 2282 5129 4410 5109 6054 5709 2435 4734 6296 2352 2787 4658 6078 4483 3581 1919 5991 10472 12869 7470 636.969 C20 H7 N5 O20 + 4.5124884 4790 8230 5128 5752 5140 4169 5267 4863 4773 4122 4814 5125 5445 4902 3713 4922 5593 4426 4568 4435 6345 5874 6241 4512 4168 5533 5732 4503 3960 3964 5154 5259 2604 3591 4243 5029 4165 4256 4647 6738 5331 6484 5687 6189 5093 5992 7654 4739 5745 5399 5976 6845 5858 4768 5021 5306 4547 4570 3198 5125 4577 4049 4318 5594 6083 5379 7496 6145 6769 4333 5992 4607 5669 6383 6339 6293 5666 6768 5495 6582 5561 5592 5244 4663 636.9694 636.9724@1.0055 4518 2643 636.9724 636.987@1.0207499 4958 1510 1651 2840 636.987 637.0064@1.0198 2576 8747 3442 1782 3020 637.0064 637.011@1.0126666 5493 4126 2279 637.011 637.0266@1.005 2497 637.0266 637.0451@1.014 5368 637.0451 637.0547@1.017 4799 637.0547 637.0735@1.022 5570 637.0735 637.0826@1.0185001 3011 2280 637.0826 637.1258@1.019 3062 637.1258 637.1499@0.836 2929 3003 637.1499 637.2888@1.206 6812 637.2888 637.3744@1.114 3011 637.3744 637.3951@1.102 3495 637.3951 637.414@1.112 2851 637.414 637.4469@1.1040001 1499 1409 637.4469 637.4712@1.068 5213 5597 5965 637.4712 637.4869@1.07225 11239 17877 4005 2830 3667 2712 3115 9243 637.4869 637.489@1.072909 17867 15258 15310 2424 11321 8760 5260 14519 3994 14078 12479 637.489 637.5371@1.007 9392 6261 637.5371 637.5478@1.00225 6808 8447 21653 17412 20312 16942 11399 4261 6696 20972 15947 7213 22387 21037 11287 14268 6665 10736 4807 18355 637.5478 C38 H75 N3 O2 S 12077 17253 12463 11750 12181 10449 5347 11465 11596 10286 4716 8243 7927 8061 4611 13490 16935 16698 10839 11031 10504 8408 9918 11514 5698 10620 11437 13933 16040 8487 2727 6367 19206 13342 6826 6428 11690 11375 8930 10083 10877 11843 9312 637.5571 637.6989@1.021 5358 637.6989 637.7154@1.0325 1334 3548 637.7154 637.7357@1.019 2462 4606 637.7357 637.7588@1.018 3391 3605 2542 637.7588 637.767@1.01375 3967 2184 1707 6076 637.767 637.7815@1.006 1081 637.7815 637.8067@1.008 4341 637.8067 637.8231@1.0174999 2492 2400 637.8231 637.8327@1.018 1448 2063 637.8327 637.8427@1.019 2694 637.8427 637.8578@1.015 3403 2459 2587 637.8578 637.8684@1.015 3002 637.8684 637.8776@1.0106667 3211 2482 2287 637.8776 637.8972@1.021 2488 637.8972 637.9568@1.0195 2262 4861 637.9568 637.9912@1.02 3063 637.9912 638.0161@1.018 4260 2507 638.0161 638.0772@1.022 2118 638.0772 638.0858@1.019 7920 638.0858 638.1075@1.019 2344 638.1075 638.128@1.014 2787 638.128 638.1516@1.013 6002 638.1516 638.401@1.2036998 3246 2899 7195 7582 3634 9545 6089 5070 3168 3133 638.401 638.4058@1.1308571 6980 6992 3407 4114 5563 3609 3930 638.4058 638.4458@1.097 2638 638.4458 638.478@1.076 3807 4023 9380 7488 638.478 638.4859@1.0567726 20584 5659 9841 5025 7265 9476 3560 4120 9402 10283 3387 9929 13680 8176 3786 4055 2505 7529 11349 4521 6513 14633 638.4859 638.4965@1.053 7812 638.4965 638.5495@1.0007143 5041 2873 3822 2659 4114 3214 6764 638.5495 638.5611@0.99875003 5856 3204 3365 6364 638.5611 638.7596@1.014 4715 638.7596 638.8115@1.02 5563 638.8115 638.8386@1.013 7725 2807 638.8386 638.9294@1.025 1889 638.9294 638.944@1.01 6533 638.944 639.0043@1.016 6187 639.0043 639.3149@1.18 23154 22170 639.3149 639.3498@1.067 1678 639.3498 639.4449@1.072 6928 639.4449 639.4566@1.087 2099 639.4566 639.4835@1.0727586 11609 12070 2724 15819 8239 13187 17156 2802 11639 12060 4266 4265 3974 14429 5148 4365 5163 3637 3299 7655 2103 7241 3519 19275 12380 5318 11013 9774 10181 639.4835 639.4894@1.0597143 17320 8791 4622 3417 3089 14196 13138 639.4894 639.5051@1.204 2470 2045 639.5051 639.519@1.2076666 1541 3505 4934 639.519 639.5286@1.2039374 1539 2359 1678 2104 2913 2209 2472 2027 2758 2451 2651 2084 4743 7710 2393 2427 639.5286 640.2109@2.079 5872 640.2109 640.2143@1.4704 5002 5952 5623 6572 3889 4441 2601 4090 6863 7562 9686 4962 4171 3368 640.2143 640.3197@1.1194999 1923 2251 640.3197 640.352@1.1225 34567 33683 640.352 640.3997@1.19 4813 640.3997 640.4153@4.3315 3832 4838 640.4153 640.4334@4.5998745 3293 5082 4411 15475 15380 4196 3907 4458 4681 6455 6474 4394 4780 2631 5902 6116 640.4334 640.4612@1.071 5019 640.4612 640.4732@1.072 5142 640.4732 640.5114@0.99045 12727 9711 11113 16998 10646 15186 12759 18006 11959 16681 10911 12729 12034 28495 17201 17128 16840 11588 10515 8456 640.5114 640.9362@4.6 9615 9859 1782 3382 3333 3375 2981 640.9362 641.1477@1.4753333 19501 22952 36577 10328 11252 10694 23221 56796 20097 641.1477 641.1506@1.623 6336 641.1506 641.4237@4.6914997 5721 5242 641.4237 641.4774@1.0839999 1721 4265 9685 7411 641.4774 641.4884@1.0804193 5151 5749 5370 2090 17645 4950 4768 7734 9289 5210 4742 11004 12160 6348 10992 10230 3210 5992 15231 6591 4775 4221 3902 19700 7238 4230 3980 3848 3779 5336 7104 641.4884 641.4966@1.203 8563 641.4966 641.5042@1.1355 2634 2003 641.5042 641.5145@1.209 3201 641.5145 642.1584@1.435 2926 642.1584 642.1602@1.4914999 28945 12425 7086 8088 642.1602 642.1801@1.479 6517 642.1801 642.3214@1.043 5926 642.3214 C26 H46 N18 O2 5868 6526 4808 5703 9368 9549 7453 6861 7574 7015 5143 4493 16535 16948 32303 33420 6844 6498 12726 12598 13327 13924 20993 20922 3934 4758 10021 10326 9068 8986 6056 5403 11113 10950 8019 7694 11534 11940 8061 7044 11201 11589 18087 17672 6726 6668 6395 6381 15365 15285 7073 7597 7825 7489 16968 17711 5632 6062 6213 6221 4585 4670 7824 7497 6648 6096 5319 5858 6004 5754 6400 6028 5767 9187 9805 9604 5108 5407 5823 6453 6531 6626 6305 8519 8021 6167 5843 642.4049 642.4299@1.207 2445 642.4299 642.4525@1.099 3310 642.4525 642.4588@1.0825 4085 7035 642.4588 642.4768@1.0832223 3432 9155 4724 4040 3502 1659 2943 2822 8736 642.4768 642.4852@1.064 4740 6183 4365 642.4852 642.512@1.0325 3509 3960 2592 2929 4523 3361 7592 4648 642.512 642.5225@1.01875 6303 13590 15510 3134 642.5225 C18 H13 N O17 S4 3488 2302 2692 5042 4743 3555 3663 3185 3537 9589 9753 18514 20262 4002 3675 6914 7334 7535 7290 11620 11170 4987 5519 4609 4845 3138 3107 5220 5996 4017 3580 6064 5857 3537 3687 6243 5774 9944 9901 3466 3386 3639 3283 9071 8538 3531 3735 3968 3615 9695 9548 4064 4208 3535 3217 2852 2751 3048 3420 2901 4419 5686 5199 2740 3757 3691 3605 4450 4120 2962 642.9071 643.1539@1.475 13128 22006 14375 6674 13948 643.1539 643.2537@1.624 7695 643.2537 643.264@1.595 2061 643.264 643.2654@1.6366428 8585 6990 5950 7266 4062 6673 3123 10378 12026 6019 7906 5368 7323 643.2654 643.3399@1.263 3002 3175 643.3399 643.3977@5.72 2976 643.3977 643.3994@1.104 1482 643.3994 643.425@1.099 5070 643.425 643.4899@1.2976364 8598 8034 21164 44401 44903 28869 10396 9908 2300 8545 22637 643.4899 643.4907@1.083892 4503 5640 4849 5492 6303 5360 3716 4011 3484 4272 5559 5691 3111 7129 6171 4565 3718 4576 4344 4897 5703 7694 8728 4191 7902 8471 4383 3151 6396 9275 6986 3790 4632 3361 4504 3486 3183 643.4907 643.4908@1.3865 19811 14399 15720 29285 6961 23533 643.4908 643.4916@1.1453334 4499 56541 55789 643.4916 643.4917@1.8943334 9802 6436 7616 643.4917 643.4945@1.6175001 3659 7110 643.4945 643.5103@1.6575 5661 5513 643.5103 643.5586@0.9525 3440 2910 643.5586 644.1523@1.4703332 2424 8657 3076 644.1523 644.2415@1.4274999 12832 8832 6570 3564 8355 644.2415 644.2516@1.2892001 6309 6688 8891 5570 6812 644.2516 C28 H50 Cl2 N2 O6 S2 9443 6891 10770 11017 6199 6032 6089 5281 6128 6751 6381 5484 4936 4355 4998 6066 6409 6232 7623 8018 9019 4767 6598 4442 5034 15397 12445 8018 7020 4751 5350 6283 6629 9598 6382 5279 6872 6026 8388 9922 12265 8661 6195 15454 8338 7859 8792 7511 13185 7079 7514 16524 11362 7151 5654 5636 6297 5358 6092 3435 4149 6675 18206 18980 8054 7412 4809 19818 15628 4522 9047 8347 11118 644.253 644.2543@1.444 6731 644.2543 644.2642@1.1765001 21224 20089 644.2642 644.4341@1.158 3048 44991 44585 644.4341 644.4489@1.1018181 8491 10272 9114 3071 7923 10460 15041 13172 12735 3542 2983 2474 9162 9642 5352 19971 16673 15094 16064 4541 13840 11026 644.4489 644.4535@1.0908823 13876 20216 2593 3868 6187 6894 10038 7511 8051 10975 8166 11253 8206 34012 9058 5253 11121 644.4535 C21 H52 N22 O2 + 4.6605062 3988 5166 4023 4670 4431 2971 5639 6725 5050 3592 4785 4278 5316 4625 5016 4470 5728 4714 5424 5149 5493 6532 6042 4301 5735 4776 5112 5118 6350 5961 4635 4911 4910 6329 5023 3983 5678 4737 5105 4451 4531 4983 4074 4492 5539 5032 5106 6073 5379 4262 4769 6380 4482 4874 7199 5592 4438 3993 5875 4560 6021 4934 5552 3843 4525 4232 4277 4379 4771 4728 5989 5731 5303 5586 5999 5573 5901 5900 6124 7436 4470 6475 6650 7214 6545 5566 5427 6180 6126 5202 5470 644.4646 C21 H52 N22 O2 + 4.4856734 4922 2690 8238 2233 3666 3617 5860 2628 5297 3946 2854 2858 8446 10526 7688 4705 9968 3695 5080 6489 6272 5958 5760 12588 7670 3921 7295 6629 4557 7991 6676 3654 9647 5398 5193 7845 5112 6921 7429 4723 7851 16392 4897 5243 3777 2664 16544 14227 2877 644.4648 C21 H52 N22 O2 + 4.5700483 8269 10020 8957 11252 9759 7432 16871 8287 9303 15223 7729 10238 11759 12561 8862 11102 10024 11908 14103 12562 12534 16508 9952 10356 9074 10913 14067 9521 8732 11050 10734 7681 7603 7489 8748 12406 16538 8759 9890 13252 8269 14845 10539 10172 10972 9857 15737 9076 10030 8685 12715 8775 7468 9259 14665 11051 11225 11101 7891 8499 10553 6570 11237 11139 9641 16407 11137 11665 9746 11983 11249 15172 10901 14620 17374 14568 12128 9613 12581 12679 9813 14120 11589 644.4651 C21 H52 N22 O2 2476 6086 6213 5728 6851 7219 8153 5253 2716 6824 3548 3198 6817 3820 7719 7579 5002 4964 2139 4917 6343 5585 2741 5840 3365 5397 7319 4100 5777 7219 1779 644.4653 644.4669@1.0716667 12763 3545 7007 7876 8390 13267 4653 13239 4766 644.4669 644.4742@1.0615385 2971 8208 4681 8883 11169 7047 5926 3419 5981 1656 8937 5572 7230 644.4742 644.4932@1.208 5672 5320 644.4932 644.4947@6.194 8206 644.4947 C28 H7 N O18 4842 4254 2134 4918 3536 4741 4801 4529 8429 4540 4435 3536 4211 2819 3958 2816 2541 4317 3507 5070 4867 3808 4210 6642 3395 3724 3973 3936 3845 5945 3624 5421 2707 3233 3832 2901 3085 2387 3527 5021 3024 8217 3349 3839 3536 3656 8109 4714 3793 3956 4344 3694 4242 8836 6601 8468 8922 644.9662 644.9663@4.507533 2687 3310 3838 1818 5829 1769 4662 5417 4854 4841 2735 2581 2924 1951 4476 644.9663 644.9663@4.475 4816 644.9663 C20 H11 N3 O20 S 2150 5070 5585 5752 5445 5666 11622 11644 11069 3883 6234 6990 4917 5779 2087 5494 9760 10897 8255 10111 6517 8553 10841 7024 9288 7482 8544 2047 9052 8548 7066 5529 5857 5534 6344 5088 8214 6735 4252 9318 5324 5996 4509 5850 11000 2999 5297 6090 10733 5076 7936 4382 10529 10890 9483 10716 6741 7645 5093 5964 5727 5098 2783 5218 4539 5301 9971 3642 7337 4983 6291 7872 11565 10136 4117 4672 11873 11608 5721 6308 10074 9679 3713 5425 11707 5262 10973 4473 644.9664 645.2473@5.4805 7694 7775 645.2473 645.4472@1.2105 6510 6270 645.4472 645.5026@1.018 4092 645.5026 645.5998@1.057 7096 645.5998 C22 H31 Cl N18 O2 S 6542 6536 7689 7476 5359 4886 4777 5973 4926 5713 6164 5709 6787 6685 8746 8615 9362 5814 5832 5713 5251 7822 13108 7161 6600 5940 6206 5686 5986 10915 10300 6760 7297 8675 8500 7453 7187 8373 8964 5657 6002 6143 6228 4251 6411 6839 2853 8712 8577 10406 6495 7008 10574 18952 15633 646.2218 646.2328@1.1683334 11958 12380 7619 646.2328 646.2418@1.1669999 14482 8391 8895 646.2418 646.3438@1.0710001 4114 5656 646.3438 646.4369@0.996 13845 13104 646.4369 646.4506@1.0921713 5143 12937 11650 5439 6152 6582 5098 11214 6326 7192 5602 11694 12296 3965 3442 7058 11666 8916 7540 8743 12666 9669 6321 4323 4331 6279 5784 10996 8885 11272 5530 8047 22674 11044 646.4506 646.4562@1.0636667 6420 4879 5841 2905 3862 2893 646.4562 C43 H66 S2 6422 7095 2314 4051 3474 2879 3103 3177 4897 8782 6618 4423 13089 12909 6237 6546 9743 12029 9859 9622 10512 10721 12352 13755 6189 6275 3629 3732 7887 3890 6432 6352 4098 7286 3729 5626 2777 6844 2771 2132 7109 9855 9202 8770 16980 16544 7904 8556 8947 11810 1946 7173 16254 14854 3619 2090 9675 5184 17113 6032 2594 12425 10918 8491 10266 5436 9447 4691 7396 9263 9576 15510 12556 10478 11200 28367 6952 13855 646.4586 646.4726@1.046 4000 2016 2120 7010 5683 7938 2391 7420 2108 646.4726 646.4807@1.052 1761 646.4807 646.5046@6.184 7719 12869 12513 646.5046 C32 H70 N8 O S2 2805 3564 3553 4786 5226 6147 6323 3282 8651 9333 7720 8077 6307 5957 4388 4182 4457 4236 6887 6593 6372 6309 3074 2756 4836 4916 6265 6687 9034 10543 3287 3369 5564 5722 3981 4142 4787 4704 7889 3369 8249 7830 646.5129 646.6367@1.1015 3119 3000 646.6367 647.216@1.1805 12316 6386 647.216 647.225@1.1779091 8692 4831 6252 4079 5352 5659 4913 5218 5555 8041 647.225 647.4018@1.0469999 4469 4555 647.4018 647.429@4.7095003 6457 5796 647.429 647.4599@1.123 1677 647.4599 C36 H65 N5 O S2 7570 7907 6466 6817 13519 13513 7606 7896 11261 10691 3574 3496 4610 4050 3413 2994 7971 8793 81932 82080 8428 8986 15782 16673 12513 12691 28632 28095 3705 5623 6909 11818 13139 5089 5039 8916 8547 9170 8880 16059 16245 5124 5064 13447 13153 23296 21902 5943 5507 7760 7824 13186 12972 6000 5670 5757 4883 30761 32013 5368 5996 8801 8733 5115 5551 8236 7791 8775 2723 4218 4878 4354 4471 4691 4513 5440 5636 2866 3736 3529 4739 4653 4925 5820 7597 7889 7002 7231 647.4625 647.4641@1.7165 18300 15016 647.4641 647.4723@1.211 3769 647.4723 647.484@1.00225 7396 6547 4219 11304 647.484 647.5001@1.003 5723 647.5001 647.5147@1.0044999 15264 14587 647.5147 C38 O6 S3 2116 2084 2149 2330 2281 2083 2240 2027 2285 2140 2172 2162 2206 2359 2189 2559 2568 2073 2265 2715 2749 2496 2584 2608 2390 2313 2495 2207 2615 2187 2284 2372 2265 2616 2631 2320 2212 2022 2113 2578 2450 2184 2229 1983 2359 2497 1982 2225 2211 2199 2344 2406 2463 2404 2383 2322 2376 2454 2294 2068 2123 647.885 648.0932@6.179074 6623 6966 12519 13175 31252 30467 6856 6796 20677 19858 22046 21589 2317 4072 4317 9792 9498 10540 11138 9025 8990 23451 24532 11818 12171 5120 5304 648.0932 648.2402@1.4879999 3462 7870 648.2402 648.241@2.0184088 5573 4651 4744 6013 6673 5489 6632 7241 5726 5168 7405 4329 5589 3937 5929 5724 6582 8407 5853 5322 6838 648.241 648.2411@1.6933333 5191 7299 7253 648.2411 648.2455@1.1670344 4753 7087 5127 5029 3570 7887 3789 4516 5873 7112 5621 6019 5492 5786 4279 4088 2887 5382 6423 7525 7033 3676 8662 6249 13055 14142 4056 9431 648.2455 C42 H36 N2 O3 S 10450 28770 21823 11524 10656 13814 9411 9483 9366 15768 7185 5414 10622 17437 11982 19308 22396 4387 5908 4909 14570 19774 21864 11963 6888 4354 12046 16776 13416 5027 13206 31210 39547 9131 11203 21755 19464 14575 20731 24584 7818 11213 20847 18223 6287 7224 20125 19756 12680 17374 14617 15327 15432 18382 18663 24218 35195 39765 12439 40833 10530 8306 19936 20415 17089 8829 42422 37082 648.2467 648.2471@1.4528214 6274 3950 3444 5589 3158 3811 4134 6767 7428 3519 12658 4946 4769 4012 11721 5006 10909 9064 3488 6131 4032 4063 4383 8811 34619 32356 25555 648.2471 648.2601@1.1628001 6075 5832 7324 8262 7129 648.2601 648.3022@6.4845 2807 3130 648.3022 648.4032@1.203 3487 648.4032 648.4282@6.178785 6544 6132 10837 11640 27877 29273 6237 6599 18301 17504 18501 18854 2609 3650 3351 2638 8664 8485 10201 10343 8006 8277 21540 21964 12068 11617 4726 5193 648.4282 648.4322@4.7585 8096 2694 648.4322 648.433@4.72 3475 648.433 648.4402@1.1229999 7530 3286 648.4402 648.4482@1.1865001 9117 10160 648.4482 648.4572@1.1009679 8057 11152 2878 4353 8844 4030 9890 9804 8438 4565 3438 4907 11809 6762 7115 3077 10331 10296 4678 3537 3264 8140 6016 3653 9233 9991 4014 8447 10011 7363 11760 648.4572 648.4684@1.0798 5591 7834 5047 2214 12239 3755 8678 8301 10669 7166 9304 5099 10482 3280 2869 2020 5786 3177 8454 6733 3674 11456 7532 10820 12067 648.4684 648.4815@1.056 4158 648.4815 648.4996@1.077 5261 648.4996 648.6082@0.985 7377 648.6082 648.7632@6.1790433 3762 3265 7237 6692 15464 16024 3460 3188 11394 10479 11183 11187 4903 4698 6043 5523 4183 4535 12207 12503 7121 6353 2322 648.7632 649.2493@1.521 649.2493 649.4777@1.087 1619 5142 649.4777 649.5332@1.0036665 19825 5997 5508 649.5332 650.2675@1.179 6513 650.2675 650.4494@1.208 2472 650.4494 650.4836@1.1346667 8462 4659 5549 650.4836 650.5206@1.099 12984 650.5206 650.5262@1.054 1385 650.5262 651.3169@1.154 6177 12055 651.3169 651.3375@7.081 9215 8551 651.3375 651.3554@1.1035 3570 3404 651.3554 651.4083@4.995 11876 651.4083 C34 H57 N3 O9 13822 13946 10866 10498 20047 21377 3378 17785 17088 16442 15679 3224 3935 12637 13470 40782 40594 86992 100106 9262 9639 29846 30727 20818 19755 36751 37522 15798 16590 148951 146796 21503 20696 49900 50238 23765 23193 30746 30073 10647 10488 26029 26633 48386 48113 15355 14522 11137 9196 16824 17240 13458 13009 16242 15732 40713 41894 12805 13330 23790 24823 8776 9004 24731 24253 13721 13193 6770 7776 15116 16121 12746 13856 8355 7886 9279 33388 31904 13881 13049 13671 9929 9626 13846 12911 22989 21540 7115 8148 651.41 651.5718@1.2 2560 651.5718 652.286@1.001 2297 652.286 C44 H44 O3 S 12837 19791 11204 13040 9770 5568 6913 3735 3395 6147 6051 10489 11145 10439 15571 16718 14962 6673 5101 7976 8746 12630 17168 3334 15442 11052 8203 10316 10582 12661 8762 7917 8220 11403 10777 6402 9665 10309 9604 652.3005 652.3613@1.6251334 5720 8147 10044 11922 8810 8127 8821 6462 7485 17613 6500 6165 5317 8961 9702 652.3613 652.3639@1.657 2279 652.3639 652.3674@3.0313332 12220 12941 8880 8183 5862 7135 652.3674 652.4395@1.0013334 7830 5535 6950 6964 5438 5815 9871 14365 8452 23497 26896 652.4395 652.4898@1.07475 2962 3367 3229 2821 652.4898 652.5412@1.082 49499 652.5412 653.2911@6.5124 5464 5039 4452 4259 3104 653.2911 653.3246@1.123 1957 6473 69174 653.3246 653.3302@1.0656667 12244 103274 233246 653.3302 653.4142@2.265 9110 653.4142 C37 H67 N S4 22145 7828 4603 9028 13397 9321 133763 139133 13514 19577 27549 27739 20604 9013 17521 8284 11424 11866 160243 9098 38501 12110 10187 21439 10165 9688 10207 12174 11443 11374 5892 11534 39222 21672 53978 6772 10907 12115 653.4146 653.4168@2.1002998 3940 3760 12982 12657 5723 3899 36850 7438 22821 31771 653.4168 653.4747@1.094 8834 653.4747 653.5033@1.2088333 22389 19849 8856 4165 5399 17006 653.5033 653.6251@1.022 7711 653.6251 653.641@1.0174285 4577 6927 4496 5511 10695 8863 7544 653.641 653.7165@1.045 1400 653.7165 653.7393@1.034 1766 653.7393 653.7516@1.058 1030 653.7516 653.7774@1.034 3121 653.7774 653.7922@1.034625 2783 2089 2375 1250 2229 2292 1668 1390 653.7922 653.8073@1.0325 2045 2775 653.8073 653.8457@1.0273999 5758 1122 2859 1221 5672 653.8457 653.8521@1.0169375 23460 6146 1540 2712 12598 5240 14161 13064 11750 10898 8021 1426 1870 9145 4726 10718 653.8521 653.8867@1.022 3347 3694 653.8867 653.9077@1.015 2217 5804 2114 653.9077 653.9182@1.031 1585 2028 653.9182 653.9319@1.0225999 3092 1284 9237 4493 3044 653.9319 653.9448@1.025 3893 653.9448 653.9546@1.0281999 3370 2169 7588 2538 2083 653.9546 653.9657@1.018 5234 653.9657 653.9806@1.015 2600 4641 6687 1201 653.9806 653.9887@1.0165 4911 3104 3007 4609 653.9887 654.0018@1.045 1741 654.0018 654.0128@1.008 4514 4012 654.0128 654.0254@1.0126667 7537 8004 6078 654.0254 654.0438@1.0186666 2354 3542 2987 654.0438 654.0456@1.039 1340 654.0456 654.0552@1.0196363 5193 1968 8403 2919 5794 1296 8709 1960 6763 1946 5284 654.0552 654.064@1.015 4893 654.064 654.0816@1.0205 4886 2593 4891 7390 654.0816 654.0952@1.02125 9649 4907 3715 7938 5352 2930 2880 7077 654.0952 654.1115@1.0206001 9041 1718 3650 2015 2253 654.1115 654.1344@1.015 7858 4701 654.1344 654.1434@1.019 3910 654.1434 654.152@1.017 3890 4881 654.152 654.3092@1.2048333 4323 3662 10386 6661 12438 11166 654.3092 C36 H50 N2 O5 S2 8229 7589 7032 7241 16135 18890 10135 10201 3091 3509 6745 6505 2783 2630 2557 4871 4594 4200 4015 3903 8031 7756 11279 10108 7268 7413 35189 33531 26402 28009 29147 27741 12684 12353 2545 3198 5047 7573 8029 5068 4708 5562 5041 3145 6229 6407 8663 7851 17708 17620 45658 42303 15632 17266 24496 24408 9535 9101 7494 6124 5104 5737 7376 4429 7536 2764 3688 3733 9604 7880 7605 7732 654.3156 654.3175@2.7440002 2260 2816 2936 654.3175 654.3307@1.1507274 3984 2382 6270 2783 1586 4455 2483 2619 3154 3447 2846 654.3307 654.4169@2.167 13852 4047 8331 2526 13530 5871 654.4169 654.6221@1.022 6255 654.6221 654.6375@1.0170001 7800 4154 8096 12449 6650 4896 4249 3587 5810 10636 14514 654.6375 654.6415@1.0157778 9885 13343 3962 8553 15876 8264 6665 9547 4548 7357 5669 10116 5896 5553 6835 2870 8899 6526 654.6415 654.6515@1.008 8888 654.6515 654.6677@1.018 2730 3783 654.6677 654.6971@1.04 1407 654.6971 654.7203@1.012 4882 2005 654.7203 654.729@1.006 4515 654.729 654.7445@1.008 3007 654.7445 654.7545@1.0300001 4569 1364 3440 654.7545 654.7711@1.0173334 3384 3078 5319 654.7711 654.774@1.016125 3005 3190 9377 3005 5186 2756 3105 5679 654.774 654.7891@1.03025 1822 3300 1732 3888 2265 6556 3084 1590 654.7891 654.8004@1.0161251 2385 2191 4891 2949 4297 2437 2844 654.8004 654.8167@1.0309999 1028 1375 654.8167 654.8341@1.014 2686 654.8341 654.854@1.0219998 4089 4095 2822 1355 2778 3634 6839 3014 654.854 654.8641@1.0196153 3656 4286 6813 4542 2259 1456 2823 3606 4130 1535 7586 3121 3470 654.8641 654.8865@1.0223333 3045 1760 4678 654.8865 654.8934@1.011 1634 3385 4617 2309 654.8934 654.9153@1.0212 4758 5187 4878 1416 1093 654.9153 654.9291@1.021 4709 1974 2264 1120 7512 654.9291 654.935@1.0206001 2132 5769 3473 1243 4743 2344 2518 2708 2825 5290 654.935 654.9496@1.021 2327 5631 1176 4286 654.9496 654.9588@1.018 3486 654.9588 654.9733@1.0184 4327 8688 3026 5304 1909 4125 3925 4205 1020 654.9733 654.9803@1.024 1519 6083 6400 654.9803 654.9963@1.0184 3911 5234 5991 1487 4226 654.9963 655.0259@1.0187501 4016 2942 2361 3827 4352 3008 3139 4636 655.0259 655.0478@1.01675 1492 2589 2074 2577 655.0478 655.0562@1.0213001 1977 2809 3150 1763 1969 3977 3270 3613 4144 4813 655.0562 655.0723@1.015 1949 2328 655.0723 655.0851@1.0155001 6443 2160 3929 1472 1690 655.0851 655.0925@1.017 5580 4179 1181 5086 2939 6543 5815 655.0925 655.1039@1.017 2462 655.1039 655.107@1.013 2861 1970 4373 3352 1682 655.107 655.1268@1.019 3069 2676 655.1268 655.1303@1.0156667 3937 2400 4967 655.1303 655.1528@1.0185001 3418 3628 655.1528 655.1791@1.0106666 3674 6672 5327 655.1791 655.34@3.8125 20749 19707 655.34 655.4201@2.146 10909 655.4201 655.4389@4.625167 4493 4152 12068 11982 14790 15493 4820 4624 9825 9760 11148 10950 3739 3472 3774 4079 5026 5221 6370 6481 6294 6191 4980 4464 655.4389 C30 H57 N9 O7 11708 11949 4607 5488 57003 57085 21048 21371 13453 13594 8317 7659 91082 91123 229339 229612 13312 14645 62158 64159 85722 86092 119821 115926 3093 32621 30976 35453 33722 14282 14592 31573 31804 36039 37004 40444 40283 73056 71299 15829 17001 5099 5031 64740 65331 10639 11451 12191 12646 94918 97238 14362 13812 12417 12577 6998 7187 15553 14397 16204 16660 47292 47191 6040 5391 6532 13598 14114 21977 20994 13488 14220 655.4397 655.4782@1.0759999 7494 13912 2578 655.4782 655.5067@0.996 1737 655.5067 655.517@1.211 2108 2598 655.517 655.5191@1.1036764 1626 1718 1645 2753 2136 9726 5584 2499 3613 2907 1896 8673 1885 1829 2397 3132 8436 14829 3593 1928 1554 1428 3580 6397 2320 1944 2331 2363 4521 3456 5873 2639 2637 2690 655.5191 655.5278@1.159875 2018 5460 2850 2036 2362 4270 4300 3459 655.5278 655.5283@0.993 1652 655.5283 655.5309@1.0025555 3569 1551 7011 10138 10541 4780 1870 1446 10067 655.5309 655.5463@1.0220001 1209 6572 3001 1701 2767 5900 1482 655.5463 655.6252@1.0143334 2108 1812 3667 655.6252 655.6436@1.017 3845 655.6436 655.6703@1.01175 1207 2207 3116 1574 655.6703 655.6737@1.0185 2055 1441 655.6737 655.6938@1.01 3681 655.6938 655.7055@1.0220001 2915 2107 655.7055 655.7142@1.005 1704 655.7142 655.7228@1.014 3866 655.7228 655.7361@1.018 2575 5217 655.7361 655.7556@1.0103332 2145 3882 1796 655.7556 655.7671@1.031 1497 655.7671 655.7769@1.0150001 4606 6126 2156 2794 3347 655.7769 655.7908@1.0201668 3500 5962 3360 3111 5727 1986 655.7908 655.7994@1.0204 6163 3889 4441 3310 2829 655.7994 655.8313@1.021 1328 2838 655.8313 655.8418@1.0123334 3417 1542 4077 655.8418 655.8576@1.01575 2552 2347 3706 2996 655.8576 655.8877@1.0115 3696 1917 655.8877 655.894@1.015 2662 655.894 655.9134@1.0193334 3333 1344 1481 655.9134 655.9161@3.582 3517 655.9161 655.9362@1.0186666 3433 1917 4094 655.9362 655.939@4.6664996 2616 7436 7323 9642 9034 5919 5773 6748 6409 8483 3815 4024 3487 6105 3168 3135 2397 3765 8592 8371 13605 12298 8287 7892 655.939 C22 H8 O24 6743 7287 35247 34706 12579 12278 7742 8158 4485 4380 55078 54390 138649 141454 7876 8098 38806 39133 52349 53395 74382 72436 19575 19303 21987 22300 8032 19100 18159 21827 22281 23102 24585 44392 44261 9619 9380 39552 39779 6008 6441 7142 58969 60892 7634 8431 7180 6720 4035 4040 8568 9391 9778 9315 29403 30006 3655 655.9415 655.9441@1.018 2998 2443 655.9441 655.9543@1.0206667 2891 2920 3667 655.9543 655.9708@1.01 2352 655.9708 656.0139@1.015 2599 656.0139 656.0199@1.0170001 3228 3158 3343 656.0199 656.0368@1.025 2214 1913 1603 656.0368 656.0494@1.0183333 2580 2410 2756 656.0494 656.0757@1.014 2825 2249 656.0757 656.0876@1.015 2974 656.0876 656.1237@1.0115 2672 1862 656.1237 656.1464@1.014 3949 656.1464 656.1724@1.0135 2236 1294 656.1724 656.1794@1.025 2061 656.1794 656.359@1.218 4845 656.359 656.3642@4.9669995 3183 3189 8379 8166 12853 12499 4143 4081 3711 3628 3292 3157 656.3642 656.4734@1.078 4927 656.4734 656.502@1.1255 3661 1793 656.502 656.517@1.0131428 2024 2519 3743 3971 7521 2473 2671 656.517 656.5254@1.0084 2705 4023 4868 1564 1655 656.5254 656.5428@1.0133333 2068 2568 1164 656.5428 656.5559@0.99775004 1600 1997 1853 12134 656.5559 657.2922@1.112 3105 5227 4745 657.2922 657.3551@4.1755 10160 11608 657.3551 657.3566@3.992 6905 7032 657.3566 657.3571@4.34 9083 9300 42141 44471 657.3571 657.4089@0.8948183 3146 3551 3695 3769 2737 3634 2903 3396 3693 6310 6367 657.4089 657.4782@1.108 2167 657.4782 657.4861@1.1466666 9004 9256 7646 8138 3238 5845 657.4861 657.5038@1.9315 4666 7034 657.5038 657.5059@1.3360769 5075 8503 23637 32058 5313 47170 31178 35981 7632 12052 9624 30039 35640 657.5059 657.5061@1.381 2747 9203 49020 6170 657.5061 657.5292@0.994 7953 657.5292 657.5376@0.9946801 14669 5486 5502 3267 2847 9303 9950 7870 21573 8315 6039 12552 15160 9467 15350 16611 8310 16086 24051 24084 8868 9123 8438 19630 11008 657.5376 657.92@4.72925 7605 6779 3430 3473 657.92 658.0558@3.538 9632 10831 658.0558 658.2694@1.172 4720 2166 3676 3848 658.2694 658.2867@1.0223 3822 4578 4068 3951 5367 9673 3940 13050 11179 11297 658.2867 658.3154@6.5924997 5254 5723 658.3154 658.4539@1.208 6237 658.4539 658.4714@1.0878333 5684 9994 11399 7476 10079 13425 658.4714 658.4753@1.0788572 6927 6181 9727 7995 13753 11606 10972 658.4753 C22 H54 N22 O2 + 4.520333 11209 7305 6882 17715 19182 13428 16469 18621 19552 17963 19072 16696 15067 9421 20734 17934 20936 17844 17229 20858 13300 15474 23191 12553 14284 16747 16881 16723 10243 8757 13706 21160 18231 17124 22425 13474 11303 15146 12092 13251 15738 14086 3456 15219 8070 15895 11694 16335 14517 11413 19919 10746 18464 18515 13356 15565 14298 28233 5803 14452 7671 9318 5678 9807 10827 2881 8905 4112 5729 658.4804 C22 H54 N22 O2 4181 8417 7978 7512 6441 8664 9037 9934 7474 7991 7452 8006 9443 7859 8355 8493 7577 9074 7608 9403 14192 9468 9918 9218 9762 8194 8404 9083 9350 9173 10338 7982 8774 9258 8010 7528 8793 8522 7904 6386 7574 8368 9000 6878 10798 9206 9980 8726 9622 8814 9184 10310 8193 8627 9721 11299 10621 10125 8486 9019 6590 8097 7303 9523 7483 8066 7641 7372 8354 8010 8846 11174 7713 10135 9331 9802 9043 7286 10906 10841 10617 8642 16416 27083 23576 12951 14708 28550 14582 10669 24861 18987 658.4806 C40 H66 O7 13502 12264 7579 10043 17935 3107 25391 15385 4805 12114 4662 7033 7245 9462 3709 24255 4321 26296 11484 15570 4145 10149 4903 5450 26911 10182 3877 27463 24982 11435 28159 10248 4786 20917 7354 9385 9946 8816 20861 4108 11901 14892 12341 9798 24145 3551 8281 5061 13296 7663 9171 12494 12714 23432 25408 15147 12814 10623 5783 9254 15435 10540 17371 9899 6927 11306 8742 11438 15657 7374 14805 3110 9205 14204 12334 7359 15071 4810 21977 12413 5957 3045 9090 9515 13021 10025 12730 15762 9436 9059 658.4807 658.4815@4.4119997 6141 6791 658.4815 C29 H9 N O18 4883 4595 4141 4413 4994 8000 5232 4849 5577 4596 3830 5152 7204 4484 5503 5518 4375 5706 6131 6502 5786 6073 5444 6436 5038 5398 5626 6308 5992 3852 4357 4373 6116 5123 7056 3601 4107 5383 4228 4845 5228 4446 3688 6314 5400 5387 5753 4342 5156 6252 5932 5198 6124 5290 6524 5801 5328 6083 4921 4950 4603 5432 4139 4356 5000 4187 3968 4627 5113 5049 5258 4624 6007 5612 5511 5875 3706 6712 5568 6611 4663 10581 3554 7569 6428 6515 7332 12527 5984 6184 5686 658.982 C29 H9 N O18 + 4.424564 8384 4811 4570 3654 2134 3439 9010 5770 8237 6879 5319 5324 8211 4820 5895 8522 6873 2268 8812 6596 8052 6766 2939 4559 3663 3929 2529 3066 5437 5665 8855 8035 2733 10105 3362 4892 5596 4428 4381 6992 8521 4987 7055 2487 6813 2352 2997 7681 6388 8921 8826 8794 7289 3545 7044 2925 5161 7891 5051 2462 6247 4352 658.9821 658.9823@4.4894 4670 2994 4382 6211 3331 658.9823 C21 H13 N3 O20 S 14076 7899 6134 8318 2956 13388 14577 9741 3392 10240 15015 13713 9298 9448 8473 15146 14232 8975 11773 10862 10133 16319 10241 14290 17380 16814 15629 7948 9026 8943 11886 10621 11867 8869 11934 9814 13624 11204 17228 15862 16857 9293 6956 14068 8358 12999 12237 8401 16675 13153 10862 8513 12003 10734 6446 8348 10310 13980 9344 9334 6494 14274 8585 10928 7355 9076 16046 10367 9974 6813 5025 7250 14235 22751 9469 4631 17934 15083 10340 11330 20115 5763 14426 10697 11300 658.9824 659.3179@1.575 6810 659.3179 659.318@1.516 23671 25948 8686 9376 659.318 659.3738@4.52525 6279 6318 12409 13056 659.3738 659.3815@2.183 14369 8782 659.3815 659.3848@2.06375 19358 21009 21302 19442 659.3848 659.4486@1.2045 17112 20452 659.4486 659.4776@4.520334 4743 2382 5002 659.4776 659.4932@1.212 9047 659.4932 659.552@0.9903572 12507 6973 4777 5220 7420 7018 12539 11606 4199 5356 4904 6005 5417 8712 659.552 660.3889@2.8135 7379 7407 660.3889 660.4639@1.076 2923 660.4639 660.4883@1.212 2520 660.4883 660.5209@6.1567497 3058 3276 4072 4183 660.5209 660.5524@0.9903333 4798 4065 4129 660.5524 661.3359@0.99700004 3405 2936 3186 3128 2843 2743 3239 3069 3422 3071 6665 6177 2603 3644 3177 3044 2782 3136 2356 3255 3595 7425 8182 4102 3798 3292 3468 2282 3762 3936 661.3359 661.3959@2.061 21052 12838 27331 18884 3698 4694 661.3959 661.3968@2.0193336 23483 9168 15059 661.3968 661.4644@1.21 7449 661.4644 661.479@1.211 6196 7069 661.479 661.5277@1.207 4934 5257 661.5277 662.4097@2.047 6382 662.4097 662.4292@4.4485 5220 5096 662.4292 662.4467@4.6963534 5547 6338 19223 19724 5805 6488 7311 5461 9626 9882 6838 5822 5849 3992 8994 7182 3681 662.4467 C38 H58 N6 O4 159519 160665 173322 179176 169455 170551 148391 149688 167301 169048 302331 305264 318076 316807 1069903 1085043 274944 285429 313498 318953 427541 431266 345428 342264 266236 267822 475518 459280 504288 519737 199696 197353 171743 174760 194095 206796 184790 190578 326735 323536 256229 260994 413394 423555 337388 341909 394823 397695 433103 440306 517173 527579 324951 332662 382016 375429 1323428 1340917 607045 602930 255255 256534 718317 736336 627066 650616 2022771 2042051 900337 889975 383339 386920 459349 465005 447335 449768 378297 316315 388963 442176 449117 757035 924982 960692 921481 923209 1623020 1602221 2486595 2474519 573283 561939 662.4528 662.4535@1.154 2973 3091 662.4535 662.7448@0.997 1642 662.7448 662.7571@0.99131584 1313 2389 3507 1786 4859 2301 4701 3624 4388 5468 4684 5213 1488 1905 2556 7962 2583 2695 662.7571 662.7687@6.2616153 5016 5292 9467 8686 22394 22153 5280 5138 14113 15276 16343 15450 3346 2743 7392 7186 7907 8184 6225 6663 18042 18030 8490 9456 3286 3545 662.7687 662.7739@0.9915 4766 2300 662.7739 662.8384@0.989 4147 662.8384 662.8789@1.0090001 1121 1835 662.8789 662.8938@0.992 5014 662.8938 662.9034@0.988 1896 662.9034 662.9235@1.005 1880 1445 662.9235 662.9487@4.6976247 3224 10727 10351 3406 4667 4796 4002 3791 662.9487 662.9611@0.992 662.9611 662.9791@0.993 2001 662.9791 663.0466@1.006 2887 663.0466 663.0695@0.991 1809 663.0695 663.0846@0.994 3180 663.0846 663.0952@0.997 3542 663.0952 663.1044@6.2618 3920 3745 8591 8083 19211 21139 4366 4180 12652 13985 13190 13797 2294 6332 5913 7648 6806 5170 5411 15546 15622 6899 7281 3225 3102 663.1044 663.1412@0.985 8672 663.1412 663.1759@0.99249995 3216 663.1759 663.2089@1.011 1610 663.2089 663.2298@0.993 6570 663.2298 663.2694@0.988 1124 663.2694 663.3689@7.1375 14106 10170 663.3689 663.3691@6.878 6350 6407 663.3691 663.4202@1.1055 12392 11846 663.4202 663.4388@6.261097 2877 3268 5883 6253 13211 13810 3583 8186 8380 9887 8598 4120 4420 5780 4684 4161 4255 10621 10545 5481 5910 663.4388 663.4426@4.814 5121 663.4426 663.4582@1.2184999 3742 2561 663.4582 C28 H61 N11 O5 S 11636 12163 11313 11354 14935 16025 12349 12387 14436 14790 9744 11177 8968 11825 10026 10674 11477 9831 33357 31415 9886 9022 9246 14808 11338 11615 18658 17712 8288 8014 13673 13784 17651 15393 11915 12056 14732 14165 14368 12035 13950 15811 10457 10846 11829 11561 15180 14374 7690 7866 10130 9704 11690 11900 9176 10126 9297 9201 19596 20281 12401 13325 11844 12511 11366 11406 11858 13502 14038 13045 8411 9084 9398 9583 10063 9898 8748 14914 7794 12493 12914 8461 10664 9587 10438 7903 8838 12472 9066 9666 9699 8293 663.4589 663.4592@1.21608 3719 4580 3491 4430 3946 4074 3826 3944 4795 1804 4296 3645 5279 4207 4362 4504 2303 2780 4619 4343 4526 3223 4270 3731 3250 663.4592 663.7514@0.9925 5653 6076 663.7514 663.7646@0.9945 1858 5128 2710 9104 663.7646 663.8052@1.008 1368 663.8052 663.8393@0.994 5164 663.8393 663.8826@0.992 3430 663.8826 663.8945@0.992 2143 663.8945 663.9246@0.99799997 3661 4990 2459 1196 663.9246 663.9302@0.999 5942 663.9302 663.9447@0.99366665 2484 1362 2051 663.9447 663.9662@0.985 3247 663.9662 663.9836@0.9905 2533 3793 2788 8109 663.9836 663.9931@0.9965 1157 3395 663.9931 664.0149@0.9935 1314 664.0149 664.0631@0.988 3097 664.0631 664.1126@0.9885 2150 2038 1985 1715 664.1126 664.1236@0.992 1702 664.1236 664.1748@0.994 3223 664.1748 664.1909@0.99475 2676 1730 1703 3152 664.1909 664.226@0.991 1533 664.226 664.2349@2.0263636 5720 6161 3574 4258 5591 7135 6980 3274 4634 6787 5989 664.2349 664.2372@2.7566664 8747 8728 6921 664.2372 C30 H40 N4 O11 S 8143 19855 11843 12300 8154 6217 13661 19892 17536 13894 3483 21793 13202 41047 10902 16847 4371 16249 17238 14151 9423 12066 5848 5599 5961 20121 18025 12041 39533 45090 664.242 664.2425@1.8101999 17426 3010 28128 4729 1692 26873 3368 9110 14278 4711 6463 15203 6951 5449 24765 22389 23777 7940 12047 6501 25780 6103 4746 3710 14653 12939 11350 12666 26247 13999 13344 12001 15133 4132 664.2425 664.2427@1.886 6190 664.2427 C39 H40 N2 O4 S2 9611 10138 2975 3233 5748 6290 4286 4616 3447 3587 5593 5858 4151 4252 3752 3753 4651 4570 4953 664.2428 664.2578@1.693 5346 664.2578 664.273@0.988 4922 664.273 664.4024@6.877 2524 2356 664.4024 C23 H52 N16 O7 4736 5140 3851 3726 6258 6280 5856 5525 5538 5175 4172 3719 13968 13544 8841 26996 4893 5021 9655 10213 11338 9997 16392 15811 8113 8103 6609 6783 3957 4756 8704 7837 6624 5814 8798 8666 5629 5284 9107 9399 13883 13927 5232 5317 5763 5123 12860 11987 5646 5074 5416 5358 13956 13819 4447 4741 4725 4584 3048 4052 5847 5637 5079 4976 3777 4323 4165 5004 5350 4563 6878 7996 7639 3838 4525 3840 5305 5528 5056 5163 6372 6862 4838 5050 664.42 664.42@6.846 17704 664.42 664.4645@1.038 2001 664.4645 664.6682@0.993 1637 664.6682 664.6878@1.003 1219 664.6878 664.747@0.987 3857 664.747 664.808@0.992 2466 664.808 664.8449@0.99 1649 2636 664.8449 664.8697@0.9905 1532 5436 664.8697 664.9022@0.994 3970 664.9022 C26 H3 N O21 3524 3677 2908 7926 7500 15828 15552 2674 5357 5073 5768 6058 8879 8289 4943 3902 3457 3330 4556 4391 2866 4478 4177 3081 3930 4263 7735 8010 2763 2727 7217 6922 2965 2822 7563 7889 2421 2985 3479 3670 4017 2463 3286 2999 2766 664.9201 665.0135@0.99 2369 665.0135 665.0267@0.994 2722 665.0267 665.0898@0.9915 1995 3106 665.0898 665.1351@0.987 2494 665.1351 665.1755@0.99300003 3266 3438 665.1755 665.2459@1.7555001 8221 13188 6591 9086 665.2459 665.2583@1.71 3554 665.2583 665.2588@0.988 2254 665.2588 665.3289@1.165 4874 665.3289 665.3301@1.098 168745 161690 665.3301 665.3894@6.5444617 4140 3857 45057 45064 16144 15634 2841 3308 3201 5157 5174 4238 4323 665.3894 665.4404@1.09025 4908 5185 2669 3615 665.4404 665.6144@0.9706876 4607 5413 6411 6526 6567 6505 3372 4777 6373 6970 13698 12398 6117 6968 6701 6058 665.6144 665.7516@0.989 2392 665.7516 666.3153@1.196 145936 666.3153 C29 H58 N14 O4 + 4.7476635 5419 5495 4587 4522 6111 6100 5695 6614 6241 5369 5982 6500 6276 5935 5071 5239 5697 6540 7550 12508 6691 7441 6229 6356 5297 5848 5183 5667 8284 5191 6141 6666 6506 6381 5576 5961 6007 5307 4828 4357 7515 6089 3863 4558 5606 6376 6007 7081 6119 6837 6392 5791 8144 6489 7565 7032 5978 7267 6678 7750 6067 6585 5672 6509 5325 6026 6932 3534 6590 6477 6352 6242 6781 5676 6553 5566 6087 3996 6737 7067 8284 7108 6396 7565 5891 5733 6228 11872 6125 8516 5264 6327 666.4784 666.4785@4.681105 10016 8533 8618 7959 11133 5765 11972 12432 10644 10152 10376 12470 3533 8701 4084 13702 9414 11412 6446 666.4785 C29 H58 N14 O4 14170 5270 11713 13049 6068 4654 15260 15962 16271 15873 13892 11354 16103 15778 15443 3848 3586 13633 16697 4344 13388 16022 13574 15636 17456 15333 13655 13994 15431 15372 3879 15665 16174 11872 3716 14144 15569 4877 3516 14794 12860 14285 4021 12419 13298 14974 15740 13896 13948 15364 14836 14029 16106 13437 14530 12041 14213 13734 13851 15712 15011 15661 15903 3146 12173 2984 14428 13344 15092 14701 15125 1996 13754 15281 13059 14111 14119 4453 15904 8637 19985 14714 15474 13120 14929 14148 14596 3269 14465 15617 12991 13165 666.4787 C21 H9 N5 O21 + 4.740394 3217 4019 3739 2579 3749 7523 3615 3507 3527 3843 4174 4354 4281 4147 4459 3998 4332 3857 4846 4090 4092 2313 4135 3835 6817 3577 3955 6804 3531 3642 3768 5199 4369 4087 4283 3629 4275 4025 4129 3638 4672 4546 3573 5045 3449 2749 4017 3344 3956 3665 4092 4027 4629 4195 4275 4164 4213 4611 3725 5043 5067 3717 3737 4433 3415 4221 4797 4664 7629 4176 4099 666.9793 666.9794@4.6724286 6317 5667 7882 4859 6674 6330 7333 666.9794 C21 H9 N5 O21 9020 2724 9909 9244 6664 8845 9196 2597 8767 8516 2620 8511 9143 9502 8444 8455 8283 8344 2321 10167 9362 9467 8648 9535 8796 8807 9313 9063 8760 10182 9733 6570 9882 8981 2382 2144 8908 3122 2797 9182 8002 8622 8808 7488 8346 9915 8038 8779 9070 9256 9698 8704 9191 8876 9236 9260 9759 9389 9272 10142 8732 9168 2989 8554 8340 8749 8162 8371 8740 9347 9675 9182 2201 9856 8615 9665 8689 7123 9824 12811 13160 9231 9057 9229 9598 9890 10548 10105 9221 2382 9247 8583 666.9796 666.9826@4.608 2011 666.9826 667.3144@1.0239166 2807 2990 4666 4867 3775 3836 2811 3407 2401 2419 5492 5162 667.3144 667.3318@1.0245 2061 2413 667.3318 667.4621@1.1159999 8358 6580 8141 7727 667.4621 C32 H6 Cl2 O7 S3 2716 2608 3137 2750 2979 3020 2874 3246 2872 2914 2913 2576 2652 3238 2939 2877 2459 2993 2985 2742 2934 2861 3148 3226 2983 3065 3225 3186 2572 2420 2604 3112 3092 2898 3085 2943 3008 3233 2743 3080 2571 2694 3166 3008 2955 2676 3105 3098 2982 3254 2639 2936 3053 3104 2979 2933 2852 3029 2919 3049 2903 2804 3240 3440 2814 2931 2709 2879 2889 3098 3017 3063 2678 2546 2936 2766 2674 3234 2946 2599 3458 2939 3104 3069 3052 3081 3181 2809 2996 667.8662 668.2089@1.148 1854 668.2089 668.325@1.05725 2806 14575 4705 4417 668.325 C40 H48 N2 O5 S 17853 15306 22733 23930 13044 6584 20046 20076 19252 20588 8305 5016 8525 8751 9952 4764 21238 20487 14028 6981 8205 16297 8824 6222 22375 23471 6864 14550 3743 3733 5539 12175 8931 4595 4750 4101 26172 7926 8283 1667 29334 28669 26065 12971 9311 29190 43648 46044 15305 14901 10790 10536 11242 5382 8969 7507 4718 5562 5510 4825 9515 10144 19505 13196 13193 668.3284 668.387@1.114 10476 668.387 668.4701@1.114 5122 668.4701 669.1947@1.186 4185 5655 669.1947 669.3196@1.0055 3151 7052 669.3196 C44 H47 N O3 S 8525 18469 22463 31404 19246 16954 4581 5798 6027 8685 12657 16114 7449 10778 14415 15048 8484 8298 10981 9189 10089 10027 5149 7909 5947 13428 20057 21646 9082 7401 7361 3235 12517 14583 669.3276 669.3596@1.207 10051 10097 669.3596 669.3814@1.0918334 6902 7093 2171 2016 2078 3150 669.3814 669.4595@1.002 4435 4490 669.4595 C46 H59 N3 O 6099 7997 6114 7470 6271 8216 7102 5541 7749 4260 7540 6639 4468 3651 6459 5017 4565 6135 4707 5306 3750 9949 9994 6974 4389 6438 5311 4677 8662 8555 10185 6715 11049 9876 3692 6116 7251 6101 3327 6659 8821 4616 6990 12677 8873 10947 4107 13446 10624 6769 7895 5274 8602 6382 9081 7397 7212 7868 7509 6638 4511 9738 9702 669.4654 669.5014@1.202 5982 669.5014 670.2855@1.1025 93217 92198 670.2855 670.3124@1.1383333 4129 3641 3565 670.3124 670.3399@1.0556667 4690 5558 4381 670.3399 670.3458@6.5555 4259 4466 670.3458 670.349@1.044 3163 670.349 670.3612@1.059 5473 670.3612 670.4446@4.861 5268 4539 670.4446 C44 H49 N O S2 7066 6096 3215 3893 4226 3890 5800 6093 2463 6636 7062 2436 2391 7624 5804 7528 9056 6301 6148 2556 3579 7833 9190 2237 2422 2523 2562 2095 6764 9093 11926 12099 3173 3107 5426 4824 3756 3166 3527 3083 4526 5194 5032 5792 6122 5971 7377 671.3277 671.5227@1.18225 6125 6257 25119 26106 671.5227 672.2469@1.3496896 4418 7510 5603 3939 12922 5320 5243 8654 6014 2971 2512 2671 4156 8407 3548 3806 8909 3836 6329 4283 20292 11903 6523 9713 1968 4308 7518 7732 13754 672.2469 C40 H36 N2 O8 + 1.4116377 25321 27222 30772 40248 19154 24871 12799 14945 18144 25469 18636 20467 44415 8936 13964 10636 24004 16128 11336 7729 5760 13454 4000 16421 20996 22673 2181 18257 17141 34628 41926 20597 26772 22321 11812 13601 14568 30025 24677 11684 22314 14406 15352 27545 11008 16311 18223 9187 13164 39550 41477 15384 15826 26744 29185 19199 11996 32847 6521 14888 17913 31842 41307 10130 12507 25719 16696 38942 35967 15942 14769 13584 18057 15014 16582 12389 29386 26741 29684 28769 57702 56359 51846 56410 29150 27267 31227 29783 54922 60455 672.2478 C40 H36 N2 O8 59086 61678 107349 106647 42387 44824 20310 19394 48935 48999 43202 42674 78694 77843 39783 39714 31061 35133 45197 45108 48550 44333 10005 10811 48997 49037 31013 29313 34946 36031 70731 70726 55935 56199 38557 37373 40307 42121 74272 78015 33496 33528 16365 10134 61186 60073 41809 41452 64018 63978 68297 67976 40907 42063 55292 54259 57133 59742 48019 50703 54181 54673 100955 97395 23117 22007 67039 68251 60565 59026 24573 25677 42448 42898 33951 36181 59824 62471 79910 81790 65690 71648 76539 87382 96435 37936 38272 40039 41688 90240 90115 672.2484 672.2489@1.4200001 4066 23500 3112 672.2489 672.4302@1.147 7663 7506 10917 672.4302 C30 H60 N18 6779 6859 7309 7734 13443 12476 12258 12407 7759 8148 20641 19312 14981 14422 8390 8010 8240 7331 17459 17872 6920 6510 5455 5390 4153 4276 9614 9314 7552 7860 11211 11463 27566 25818 13864 13934 6774 6493 6865 7089 7838 7869 6603 6161 11927 11548 21054 19801 6708 7039 4887 4349 7284 6814 6529 6370 5351 5736 21957 22301 13547 14218 6256 6069 7030 7075 8900 8535 20634 22531 14967 14720 8553 8436 7372 7486 14113 14713 12633 12894 12163 7309 7567 19256 18869 46528 45890 3717 3365 672.5258 673.2483@1.41 9025 10685 7756 9919 8566 7321 673.2483 C38 H59 N9 S 18337 16338 17554 16158 5144 7125 13515 12407 15742 16228 4396 2055 9233 8359 8544 7511 6395 8616 17559 16673 16330 14535 6765 6816 12850 12274 6731 3574 18123 17955 4129 4288 5233 5558 14461 11617 3956 20117 18818 6696 8235 6179 6962 16626 18246 10480 9969 9631 8693 4598 4278 7410 10890 11197 673.4613 673.472@1.03 3065 673.472 673.4892@1.208 6130 673.4892 673.4974@1.1995001 3124 3888 673.4974 674.1138@1.224 3560 674.1138 674.2676@2.999 10724 674.2676 674.3235@1.175 7932 9040 674.3235 674.3443@1.6185001 4337 16603 16174 13889 9332 9668 4090 3054 674.3443 674.4713@1.039 6334 674.4713 C33 H70 N8 O6 41713 44579 52529 51374 79364 78377 90338 90571 51462 50756 112670 111715 100898 108140 39103 39576 37716 37873 86522 89177 35700 34204 20183 20336 32719 33352 29920 29084 62871 62445 46057 46094 64224 64505 95732 86500 31893 30826 47811 48376 42721 44922 52035 51879 56336 57179 85541 86294 107676 107973 33223 35555 28522 28841 40920 38648 46920 47233 35497 35269 110535 110931 65396 64893 51626 51410 50266 50195 55750 54023 92902 102043 87517 88238 42531 42625 54336 53903 97198 98744 76288 76288 70891 46831 47952 104845 105777 155451 157198 42903 41496 674.5421 674.6734@1.0963 2417 3373 3176 3616 2164 4269 2915 2016 2825 3015 674.6734 674.8391@1.1765 5383 4187 674.8391 675.4256@1.0455 13174 13684 675.4256 675.4475@1.048 3221 675.4475 675.4603@1.3594999 6325 8009 675.4603 675.4605@1.2022727 15118 14433 4108 3933 8737 3499 5222 3221 3433 4198 4063 675.4605 675.5434@6.1425 14100 13711 675.5434 676.3055@1.1353334 2951 3549 4361 676.3055 676.4835@1.205 2958 676.4835 677.2101@1.307 3492 677.2101 677.3264@1.073 2899 677.3264 C33 H43 N9 O7 106855 99758 110782 101360 105742 116161 166685 169657 143027 131207 56543 62264 59932 65282 41074 41063 36791 34632 48460 42647 61479 58803 64694 59857 41533 40441 60920 56545 38387 40041 125150 108793 92040 102431 118272 125466 101548 92678 150278 151969 92751 94566 38411 41745 58499 52919 53345 57680 67541 70017 84228 82399 76762 72461 68850 65624 47172 44759 110948 111568 120283 146697 134389 143518 119917 117834 99901 93992 124246 125207 93062 97249 78933 81387 64031 62637 76217 53828 80281 48588 45893 45915 46599 45511 88615 86997 75838 73748 129911 120396 80157 78812 677.3298 677.4446@6.343751 6207 6986 15304 14877 3805 3261 9927 10438 11169 10438 4411 4889 5523 5956 4675 4566 12029 11786 6166 6315 677.4446 677.4527@4.7382083 5136 4252 13054 12144 16924 17752 4457 5527 9679 9170 10788 11784 3458 4734 3373 3864 3852 6526 6403 6350 6778 14723 3996 4546 677.4527 C24 H55 N17 O6 10507 11151 4596 4442 58395 58430 21617 22312 13419 13849 7438 7657 97542 96826 244187 240458 14327 12751 63299 62613 101589 99020 142906 138311 3188 30722 31930 36389 35154 14798 14948 30918 31954 45921 48236 53773 53952 72403 73212 16178 14936 5680 5492 88377 90052 9664 10124 12680 12575 100822 99050 12751 13988 12456 12073 6805 7047 14431 15290 16282 1597 46177 46687 5166 5652 4813 14048 13875 19695 19477 13462 12770 677.4535 677.4744@1.2376001 5027 6727 4618 5693 6345 5689 2011 5898 5689 5698 677.4744 677.475@1.938 32165 3594 677.475 C23 H51 N25 166196 162073 139771 141446 224812 226081 140783 142156 197882 194440 70152 69591 109966 109805 68860 67913 137597 132025 1330279 1354474 176800 175032 283203 286527 154326 161815 503871 492807 49755 48360 151824 145688 243988 232591 96784 99241 195258 201761 137111 139270 295032 299753 90848 96305 187714 192228 341398 347825 132752 131519 104367 98126 206353 204703 145968 142558 92732 92007 526069 543194 114823 120707 193756 193052 111311 110330 136694 135380 150531 145188 113121 114571 121264 129355 99324 102354 64639 58443 70339 147598 151949 68049 72554 72281 102012 101071 90822 95400 144214 144181 117003 116438 677.4754 677.4754@1.806 2403 677.4754 C33 H67 N5 O7 S 36170 34074 34651 34470 58150 18159 32934 31980 45866 47629 13375 15506 21926 25173 16777 18584 34388 20049 312747 262762 44828 43896 44916 65488 39424 34676 117951 123043 12173 11098 33181 35976 56325 59058 23822 23891 45163 44185 35884 30179 73415 70967 23777 21570 46100 47246 83401 90398 30982 31498 22987 25720 42979 45038 38765 35601 23311 21577 121170 117208 13865 28671 51321 47699 25169 26262 31451 33948 36090 19867 28324 27451 29878 29001 24633 25488 14530 16124 21339 37861 17776 17747 4247 25740 24684 22119 21870 36344 32174 28018 27464 677.4755 C30 H67 N11 S3 3910 4391 4592 3417 4171 3437 6949 5904 15495 16059 3422 6198 2014 1658 2632 2595 8335 7796 3800 4828 7137 6919 4608 3616 3386 1459 1706 3271 3388 3777 5132 3671 4555 4626 5522 5743 3761 3009 2503 4363 4415 4180 4376 2416 2823 3740 2553 4258 2565 677.4758 677.4758@1.8289999 1980 3001 4979 13474 25959 31704 5181 5036 2532 14509 16132 13220 12988 5013 677.4758 677.4766@2.301 11322 677.4766 677.5043@5.2973332 4839 6122 6584 4933 6485 6455 5148 5628 5141 677.5043 677.7789@6.3443336 2843 5280 5439 13496 13302 2665 2915 9036 8696 9958 9174 4296 4115 4273 5240 3741 3756 10424 10737 4529 4547 677.7789 677.7866@1.3045 11211 9182 677.7866 677.9317@3.771 4248 677.9317 677.9542@4.786 7163 7114 4743 3409 3816 3425 2795 7871 7689 12602 12267 8448 7545 677.9542 C24 H10 N2 O20 S 6581 7074 37405 37503 13968 13345 7993 7691 4098 4048 60167 59893 149524 152195 8230 7911 38769 39842 60319 62554 87920 87567 20098 19955 21751 21076 9319 9244 18922 19147 30201 30747 33629 34542 45309 46471 9443 9234 2959 54568 55777 6516 5739 7886 7915 61823 62646 7827 7965 7255 7481 3536 3682 8598 8661 9452 9669 29659 29747 677.9542 678.018@1.3034999 3504 5928 678.018 678.1108@6.3436875 3216 3182 7867 8998 4969 5423 5715 5292 2718 3003 2564 2262 6184 7239 3042 2810 678.1108 678.2437@1.28 2889 678.2437 678.34@1.076 1448 678.34 678.4205@2.02 10162 678.4205 678.4235@0.987 1524 678.4235 678.4353@1.163 3079 678.4353 678.4432@1.1641428 4782 4302 50701 54342 3777 3939 6947 7373 21861 22349 3823 3832 14561 14979 4353 4372 6264 7262 3778 18641 18657 678.4432 678.4736@1.21825 1987 1734 2872 1684 678.4736 678.4798@1.8125 6279 3573 678.4798 678.9666@1.314 3494 678.9666 679.2459@6.6175003 8558 8377 679.2459 679.3054@6.439 3340 679.3054 679.4234@1.1515 15908 16968 679.4234 679.4755@0.99361545 8795 8878 5068 5030 4743 6436 5782 7413 3045 5630 4404 4815 679.4755 679.4837@1.866 2336 679.4837 679.9336@4.834615 3636 3538 10646 11063 3793 4339 4970 6620 2768 3523 3251 4202 3911 679.9336 680.2327@1.8116666 6072 8066 4805 680.2327 680.2348@1.16 3425 680.2348 680.4347@4.8366666 5758 6377 3483 680.4347 680.46@0.992 2152 680.46 680.4709@0.9932307 13558 15371 15432 17350 17822 17171 12949 21673 19538 19676 16376 9929 11864 2515 2731 15083 11565 13151 4273 3366 6069 34749 21550 22681 14932 20284 680.4709 680.494@4.432 2628 680.494 C31 H56 N18 1686 22417 22012 21421 22502 2958 5277 22171 22155 21563 20901 20860 21540 22552 21740 20518 20323 8882 24382 24061 22369 22580 23062 23771 23826 23429 5181 22977 24386 21876 22838 23854 22979 20348 21475 21748 6103 21805 22222 21688 19825 19198 19643 19706 20256 24407 23490 23021 22515 24490 23252 21986 22896 23396 23996 23548 23362 23005 24232 25358 20116 21015 21727 21337 22460 21213 21536 19095 22762 22248 5868 23281 19559 24113 4849 24829 23881 12589 23209 33107 6717 4028 5919 23045 24632 23457 25086 26275 23271 23392 23021 22052 680.4942 C31 H56 N18 + 4.7058578 8979 8899 8690 8189 8934 7467 8851 10837 8409 8883 9532 8199 9865 9243 9212 11027 10565 6200 9112 8729 11862 9695 9594 10212 10477 9445 9087 10390 10527 11359 9180 9541 8375 9100 8287 9050 15279 8869 9936 8798 8206 8368 8625 7867 8599 10201 9749 9806 10260 10257 8820 11988 8474 8626 10585 11102 7545 10242 10457 10172 8406 8437 8852 9122 9140 8344 9126 8210 10236 9772 10089 10639 9989 11135 10165 9913 10588 6182 10434 14117 12370 11059 10870 11477 10830 10116 11129 12143 12716 9908 10658 10778 680.4942 680.4946@4.6307697 20807 18693 17471 8250 18324 9644 2429 18409 20062 3655 27838 16400 17501 680.4946 680.4959@4.322 4103 680.4959 680.9949@4.6318574 9192 10596 4404 10126 9424 10333 11679 680.9949 C22 H11 N5 O21 + 4.707265 6893 4496 4604 4860 5683 4856 6220 6203 6464 5293 6189 5408 5652 7075 5757 5765 4587 4307 5024 5772 2818 7163 5628 4859 5948 6007 5039 5901 6077 6546 6070 5859 6031 5291 5856 5847 4933 5063 5836 4803 4907 4902 4191 4878 4889 4616 6393 5247 5619 6033 5530 5920 6298 6083 6116 6709 7259 6183 4485 5561 5818 5131 5982 6091 4631 5285 5573 4764 6021 4670 5242 6226 6495 5969 5912 6925 6536 6171 8306 7018 6226 6465 6674 7606 5131 7132 6958 6479 6223 6053 6031 680.9956 C22 H11 N5 O21 12575 13283 13023 13479 13512 14545 14929 14107 13778 13105 2869 12544 14812 14051 12448 2553 12533 10918 16740 14740 15530 13465 14464 14533 13892 13683 14433 14107 13987 14439 13403 13844 14492 14085 12287 13509 13065 12880 12439 13188 12813 11213 12187 10801 12386 4590 14025 14858 13921 14316 13878 13892 14634 14710 13546 14456 14893 4794 15098 15792 12725 13081 13171 13491 13088 13505 13447 2174 14017 1645 13585 15985 13300 15241 14727 14437 13408 3838 14824 20750 21122 13960 14424 13558 15414 14694 16005 15122 14484 15152 14690 13768 680.9963 681.3198@6.405 3852 681.3198 C30 H59 N5 O6 S3 10399 9846 9265 9724 9226 11306 10460 14590 13817 3607 3171 4015 4202 10542 9666 9062 9769 10086 8412 8911 8806 10843 10787 5981 6315 2917 3394 4036 3623 3443 4291 4400 7143 9194 9770 9832 9080 8054 5304 5002 7207 6708 5076 4657 4887 3946 4696 3907 3725 4423 3897 2454 681.3625 681.3711@1.019 9306 681.3711 681.4916@0.9915 5754 7843 22884 2875 681.4916 681.4965@4.6055 5227 3887 681.4965 681.5158@0.98800004 3663 4470 681.5158 681.5302@0.99116665 4541 5406 5814 4036 5896 6014 681.5302 681.537@0.9895 13763 8683 681.537 682.1201@2.7960002 4465 4333 4862 682.1201 682.3289@1.6199334 6183 7340 15774 15855 5098 5404 4570 5818 11214 9813 10840 11150 3521 5612 6838 682.3289 682.3924@0.90133333 15145 13645 3304 3040 4461 4520 682.3924 682.4238@1.957 3284 3011 682.4238 682.4309@1.1605 5135 5513 682.4309 682.4726@1.163 3547 682.4726 C49 H30 Cl N O 29379 18078 16574 16481 30551 17160 12282 12975 11281 12824 35791 23217 13993 13057 16217 16655 40790 25596 18361 18489 12849 13683 18156 15251 14433 13810 10441 9551 33702 44975 7050 7023 10526 9388 5944 5791 5653 6091 9294 9048 4958 5422 5196 5969 5763 5847 6064 15039 15175 6137 5854 15751 9288 23383 22918 12439 9564 4952 4868 11038 10774 9681 9667 9184 8742 6148 5215 10940 9717 15367 14821 15539 12361 5518 5274 5800 5829 14981 14845 15031 13953 14450 13771 13487 8494 8618 12956 13090 683.2017 683.3403@1.2815 7941 7816 683.3403 683.3416@1.196 93375 683.3416 683.5413@1.2035 3792 3851 683.5413 683.5505@0.9876 7291 7950 6401 6376 5526 5251 7039 6302 3319 6011 683.5505 C38 H77 N5 O S2 2330 2375 2731 3339 3392 2906 2999 2541 4081 4741 2557 2263 2298 2664 2633 2406 2517 2649 2149 2568 3405 3116 3883 3724 2940 2754 2827 2733 2488 2403 2772 2484 2379 3039 2661 2662 3202 2601 2826 3003 2358 2819 2720 2770 2962 3544 3226 2647 2365 2512 2478 2832 2785 2735 1834 2726 3088 3572 3691 2830 2813 2610 7199 5745 3653 2864 2751 2589 3972 3442 3804 3449 2701 2621 683.5561 684.3783@1.1495 15700 17667 684.3783 684.4421@4.5495 5936 4677 684.4421 684.4613@4.8104997 3938 3957 6250 6650 17356 17711 4667 4418 6822 7082 10725 10006 4173 3509 5388 5403 6370 6644 7131 7202 684.4613 684.5603@1.0815 2298 2299 684.5603 684.9616@4.8100004 3724 3138 11068 10836 3759 3795 6816 6622 3495 3067 3653 3937 4044 4410 684.9616 685.3132@1.1027501 5648 5546 5734 5537 685.3132 685.3452@1.0285 4797 5323 685.3452 685.3547@1.02856 6223 19716 19505 4747 4981 6572 8195 9387 8594 6961 3884 4059 5919 4039 4630 4220 8421 7244 12948 14038 10457 5508 4896 4276 8485 685.3547 685.5387@1.01 3578 685.5387 685.5607@1.08025 2484 2883 3193 2353 685.5607 C44 H79 N S2 6287 4858 6795 7055 8670 9233 5197 2980 2603 2655 3515 3617 3893 5885 6170 2529 2046 2362 3574 3291 3214 6159 6179 4301 3733 5043 4693 5622 5611 3070 2877 4241 4365 5253 5277 4451 4334 6792 6360 3347 3404 5347 5537 5254 5839 6738 6214 5621 5656 3386 2551 2763 3741 2000 8292 8987 6025 6103 5164 5103 4036 4272 5068 5183 6043 4999 5392 14874 14059 3020 3502 685.569 686.1794@1.5835 3147 2498 686.1794 686.1982@0.98660004 4954 5354 6491 3618 7279 4384 3034 5672 7831 3375 686.1982 C42 H42 N2 O3 S2 3253 6264 7365 2698 6490 6546 2878 2354 5440 3972 3854 3213 5532 6142 3525 3372 3571 4109 4142 4126 2689 3088 3020 2861 3043 3411 3011 3374 7471 7447 4693 4305 3951 3712 3882 3005 4993 4649 4636 4321 5137 6482 6878 2881 2763 6676 5536 686.2627 686.2739@1.1565 4124 3486 686.2739 686.369@1.612 23684 20506 686.369 686.3691@1.5335 1808 4324 686.3691 686.396@1.03 1926 686.396 C28 H50 N18 O3 3295 3550 4605 4993 3901 3725 9636 9715 19835 19937 3476 3027 6902 6837 8519 8834 11454 11663 5974 6091 4618 4683 6083 5500 4074 4114 5935 6259 3882 4250 6272 6403 9346 9784 3813 3603 4069 8412 8467 3690 3860 3303 10558 10551 3214 3040 3185 3422 3901 3334 3793 3446 4531 5619 4933 3596 3856 3935 3842 4432 4167 3393 686.4318 686.5377@6.1191254 3729 3619 3262 3345 3030 3763 5005 5237 686.5377 C28 H5 N3 O17 S 6034 5681 12232 11917 3551 3796 4256 4690 6690 7203 3438 2931 3502 2960 2148 3266 3596 3222 3475 5322 5316 4452 4914 4997 6097 2927 2713 686.9341 687.3723@1.341 3388 687.3723 687.4979@1.0522499 4755 5375 6229 6185 687.4979 687.5152@2.08 11458 7639 687.5152 687.5177@1.4733332 9075 8467 12471 11611 41742 39140 25814 27740 11494 12312 27614 29049 687.5177 687.5183@1.1985 25781 24665 687.5183 688.2968@1.1553333 44659 7427 7337 688.2968 688.3221@2.8809998 10347 9409 9149 688.3221 688.4244@1.039 7344 7364 688.4244 C23 H56 N22 O3 13720 17085 12130 12492 14659 15122 12868 4712 11914 13012 14341 6189 17059 4822 12212 2729 7944 11323 4524 18241 12130 16265 11273 10895 12628 8627 11999 11317 12179 4310 4316 5347 12631 12357 3401 6390 15353 3050 12316 10837 12052 3186 5053 13430 3222 9267 8723 12050 3574 15664 10297 11502 11059 10472 3618 10418 8667 13359 13720 5617 11257 3798 11864 14842 10737 4271 4457 15057 2833 17601 17698 3282 4510 16087 4170 11000 12440 5014 5394 9314 12088 4688 9808 4666 4403 18506 13469 12078 11900 11767 688.4911 688.4918@4.7811666 5166 7586 4445 5187 4335 8789 688.4918 C23 H56 N22 O3 + 4.8131213 3494 3670 2196 8901 4698 4432 11396 13258 3406 3906 13413 4794 12370 5717 6236 3486 5662 5737 5342 4780 5544 12685 4104 4052 3672 9409 9004 12644 4216 3618 11737 9975 14207 6228 5550 4145 4308 6463 6387 4484 6101 5922 5417 8988 5003 8991 4242 4999 8333 6877 9230 9040 4036 9172 5616 4318 18501 17888 4371 13895 6000 8730 13589 5199 4260 4442 688.4922 688.4943@1.091 14009 688.4943 C34 H72 N8 O6 14471 14668 19127 17866 33324 30731 34075 34621 19982 19882 37546 37073 41278 41835 15690 15670 13193 14284 32203 31308 15082 14888 10113 10421 13010 13551 11830 11242 24507 23786 20951 20636 22133 22235 29015 33652 12136 11188 17641 17109 19369 20416 20534 20463 21662 21971 34804 35291 47787 47807 13469 14306 11886 12014 17282 15840 20135 19852 18638 17478 39888 39555 25382 25611 20724 19919 20585 23027 26968 27013 41605 41295 36108 35483 19961 19309 23076 22842 34321 35701 30486 27752 29159 17649 18864 40937 39969 60078 59412 19272 18604 688.5573 688.9861@4.8064995 3464 3375 6790 3161 688.9861 C23 H11 N7 O17 S 9087 3921 7135 8873 9777 9085 5809 4017 7108 7323 9237 3596 3134 9231 9551 8451 3313 5622 7809 10657 3513 10781 8794 6926 6977 6337 6787 6348 7371 7090 9215 5602 6870 9394 6100 7272 2972 9187 8812 6882 8503 7959 8014 5765 3713 7269 6733 10106 6405 9494 7177 6567 6816 6979 10096 6832 6138 3276 7682 6631 8479 4004 3566 9200 4328 6543 2595 9604 2907 6426 6413 10361 7495 10007 9877 6623 6237 13792 11314 3730 3855 7346 9451 6556 7309 6730 10034 9930 8838 5818 688.9933 688.9942@4.7755656 5572 4340 5720 5601 5832 3284 3266 2668 2769 3215 2912 3217 3037 7482 3144 3692 5415 4156 3538 6345 2859 3053 2664 688.9942 689.4548@1.033054 16015 14703 11515 11019 8585 8428 10874 9892 7312 6023 6223 5328 8147 7873 11504 12817 9662 9967 9595 8884 8717 3714 3324 10467 10095 12814 12186 3540 3355 11393 11070 7328 7759 5331 6053 3434 3165 689.4548 689.4717@1.199 4938 3453 689.4717 689.6151@0.972 3306 689.6151 690.2293@1.17225 9781 11557 6700 690.2293 690.2636@2.862 8904 690.2636 690.3654@1.114 7547 690.3654 690.507@1.099 7286 690.507 690.5165@1.087 4219 3493 690.5165 691.46@4.8545 9239 7325 691.46 691.464@1.205 6253 4134 4525 691.464 C31 H69 N11 S3 5935 6053 11349 11985 8296 8878 7350 7363 74538 83969 6740 8111 15299 15829 8535 8877 28085 25661 11449 12439 7932 9396 7401 12392 14708 10797 10776 20645 21293 4999 5546 10480 9805 31946 31994 5887 6592 7431 6834 6943 6694 5494 9242 9301 691.4905 691.4909@1.858 6144 691.4909 691.4924@1.8870001 4980 18445 5257 691.4924 692.1209@6.424417 3652 3911 9413 8883 7016 6539 6084 6183 3445 7178 7867 3791 692.1209 692.2404@1.1749545 4082 4816 4929 4339 4517 4424 4493 3880 4732 5530 2745 4179 4768 4007 5369 4954 3681 5418 4679 4582 3917 2680 692.2404 692.3951@1.1535001 4377 4469 692.3951 692.4533@6.4254613 3143 3495 8468 8995 5904 5839 6389 5975 3034 3094 6779 7424 3097 692.4533 692.4546@1.1645 4477 6658 692.4546 692.4568@4.9515 5408 5210 692.4568 692.788@6.426875 4490 4650 3208 3406 3292 3575 4065 3743 692.788 692.9603@4.95 2721 692.9603 694.3642@1.0145 6874 11633 8509 6504 7772 8340 9684 5007 4887 4431 110456 7183 694.3642 694.3753@1.0174999 6670 7358 694.3753 694.4118@1.2314999 28610 26903 694.4118 694.5092@1.038 4301 4807 694.5092 694.5904@1.0755 4212 4142 4105 4769 3934 3581 3348 3899 694.5904 C36 H61 N3 O10 10979 10913 8339 8487 13546 13295 3101 11466 12090 11028 11073 3322 3299 9157 9143 25314 26730 10177 56006 8836 8148 20771 20733 14626 13382 24900 24780 3443 11501 11125 46392 43827 12374 10942 20623 20079 14575 14644 19018 19301 8018 7372 16675 16764 28834 29137 11001 10526 9139 7896 12934 12832 9897 10098 11697 11107 27014 27092 8829 8877 14318 15552 6223 6436 15662 15680 10146 9133 5299 5157 10299 11074 9898 9042 6727 5425 6446 18080 17626 8893 9981 8417 8592 7415 7744 8292 14081 13508 6537 6467 695.4353 695.4358@5.1500835 5660 5076 57404 10387 4726 3660 5260 8656 5704 5608 6129 4849 695.4358 695.5723@1.2049999 3157 2840 695.5723 695.5929@1.2026472 2378 1952 2333 2077 2045 2744 2901 2531 2291 1717 2049 1594 2276 2243 2577 2529 2709 695.5929 696.2401@1.2931666 4628 5448 10860 11701 5414 5644 696.2401 696.3213@1.0996667 4730 5642 6612 696.3213 696.392@3.3995998 8209 11408 6082 5855 7058 696.392 696.3934@3.49 3411 696.3934 696.5239@6.1275 8607 6642 6373 8069 8234 6060 696.5239 696.5751@1.078 20130 696.5751 C51 H36 Cl N 49044 47987 56258 54157 50767 50765 36597 35221 35048 34403 41409 41764 34908 35711 35529 36055 33455 33749 45013 42718 30347 29431 30429 30200 31616 31731 18205 17445 25943 26074 28224 30308 49993 47859 36002 36060 28169 28056 26338 23728 21569 21120 32500 31870 33941 34060 29726 30913 34813 36022 20518 20857 27898 27349 37094 37921 27312 26574 19026 20004 34749 36142 21970 23897 27129 26886 12710 13915 20005 19839 33395 33673 29882 30032 31666 31465 28089 23142 24787 27459 26639 31065 28350 28814 25355 26264 19055 19735 20190 20839 25624 24474 697.2533 697.4952@0.99500006 9030 8025 8203 697.4952 C48 H63 N3 O 11786 12215 12209 16326 11090 9666 12438 4428 10154 9594 7756 8952 4753 11339 10555 8649 8577 6060 5897 18427 14714 8477 8875 14977 12834 11287 11313 5637 4062 18922 16469 11390 11435 9299 9610 7028 7355 6667 6506 4271 13577 13969 12343 10234 20601 20267 10903 12705 8977 8515 31958 2954 11438 8425 8701 12629 18432 12367 12543 12835 12211 12808 6591 5775 8018 10535 10096 7799 697.4969 697.5068@1.0304999 3233 1825 697.5068 C39 H50 N6 S3 5776 6128 7679 10859 3550 4050 4044 5342 8179 7803 3081 2626 12835 14169 2818 4201 4516 4537 3988 9391 8077 5874 7268 3639 8973 7981 7041 4084 7947 7718 5068 4489 2891 3449 4253 6084 5818 5860 5557 2764 6696 6967 3113 2721 10921 13046 4645 4480 6310 4994 5609 4092 5652 6296 3828 3596 3343 4359 5069 7720 7832 9260 9502 5159 4311 4464 9661 7898 698.3252 698.3285@1.1456667 3453 2502 2559 698.3285 698.5346@6.086 7994 7156 698.5346 699.1511@2.795 4775 699.1511 699.2902@1.0139999 4679 5673 699.2902 C41 H49 N O5 S2 7427 10552 11014 9828 10099 8871 6247 3750 3523 3910 2515 1720 5309 1486 4077 3940 4779 3410 4146 8240 11213 10250 9205 6249 4378 4810 4559 5431 6670 6504 5482 2726 2763 13782 9582 5549 7744 8358 6800 6310 4685 3812 19733 3848 3003 3314 2599 2897 5086 5044 5354 17044 16474 4583 699.3034 699.4656@4.842526 4209 8585 10273 9673 10128 4264 4503 6021 8248 6684 6545 3993 3910 4180 4240 5468 5225 5990 4822 699.4656 C32 H61 N9 O8 9424 10454 3976 4315 59135 59729 21947 22007 13017 12815 6206 6512 108471 104431 246412 246148 12493 11720 61970 62765 115594 113648 159639 157568 30340 30831 35738 36228 14099 13525 30461 30562 57453 58782 65223 68100 76256 76136 15287 14039 4582 4410 119957 123657 9877 9716 14532 13993 99670 102872 12128 11649 11893 11705 6395 5929 14013 14240 15064 16026 47197 44882 5163 4974 4518 12647 13530 19399 18682 12598 13090 699.4662 699.5203@4.467 8969 8838 8684 699.5203 699.5257@4.471414 4143 4446 4601 4206 5700 5590 4042 5158 4552 4347 5026 3984 6020 5863 5790 6061 4389 10103 9518 4516 4617 4155 4601 4706 5084 4545 5362 8603 8832 699.5257 699.5474@1.2049999 3656 1656 7864 699.5474 699.945@3.93875 6609 5162 4034 6104 699.945 C24 H12 O25 6358 6258 2227 38572 37202 14030 14008 7737 8339 3589 4039 68778 66880 159299 157900 8029 7115 40417 39869 72774 72678 101655 100123 20100 20214 23812 23115 8536 8986 19447 19988 36644 37042 41896 43264 48667 48064 9694 9252 2427 2449 75885 76039 5870 5756 9066 8960 63806 64347 7368 8529 7841 7635 3198 3411 8434 8715 9343 9154 29033 29495 8462 8191 12284 12490 8359 7752 699.9676 699.9684@4.84725 5355 4757 4337 3178 699.9684 700.1466@2.7995 28779 26051 700.1466 700.1468@2.7045 11969 10956 700.1468 C44 H36 N4 O3 S 9082 8921 10469 9525 9291 9002 5638 6433 6640 6892 8403 7892 6751 6267 5776 6013 6094 3414 7989 7988 4178 5313 5417 5548 5272 5022 4338 5891 4939 5476 9101 8610 5805 5915 4774 5427 3455 3829 3819 5816 6027 6198 6241 6644 6207 6448 6321 4887 4648 6911 6808 5283 2844 6855 6723 4155 4313 4565 2937 3527 2786 6097 5931 5792 5034 6427 3275 3681 4603 4758 6291 3319 4817 4574 4547 3341 3601 5435 4194 700.2529 700.2594@0.964 3747 700.2594 700.3908@5.079 2330 700.3908 700.446@3.9420002 4734 4624 4089 700.446 700.4705@0.998 7136 700.4705 700.5577@6.125 15096 700.5577 700.5585@6.092264 125871 126769 101680 101287 196275 173414 159693 161197 132978 134032 280421 281532 184544 186403 99694 100610 127223 125565 322148 287381 118157 120562 60064 59585 113358 112919 103902 102123 167312 149082 147658 148107 160969 175518 683852 603726 122228 130863 177309 177130 138475 144396 106471 105864 158229 158799 201294 201663 263384 260742 120551 121760 98252 98314 130746 113397 154637 153792 126957 127015 245099 250328 222508 223185 128841 150942 149457 152433 163157 160758 334011 340830 247265 228866 138221 135839 175154 173085 306841 269485 196088 195124 191899 110109 109861 321931 320401 610133 518773 77185 75051 700.5585 700.8568@6.086 3863 700.8568 700.8664@6.078 7705 700.8664 700.8804@6.087 4894 700.8804 701.003@6.088 3217 701.003 701.1083@6.087 4754 701.1083 701.189@6.079 5487 701.189 701.4983@5.227 11184 701.4983 701.5104@5.231 6998 701.5104 701.5293@1.201 5271 701.5293 701.5321@1.5073333 10530 36940 20940 23822 9034 28661 701.5321 701.533@1.449 11326 3443 701.533 C24 H6 N4 O12 S5 18076 18400 18803 20012 19971 19857 21123 21852 20069 19404 18493 17811 18584 19746 19081 19008 18941 19149 19199 19668 19206 18365 19273 20721 20642 21163 20701 20613 22162 22010 17840 17342 20109 19525 22376 21505 20822 20894 22575 22487 19092 19185 18324 17629 19982 19771 19615 19606 20362 20898 20235 21556 19665 19792 19817 20366 19782 20044 20241 20255 20253 20466 19692 20359 22979 23253 18594 19608 18933 17913 19980 20046 21325 20697 19226 19450 20311 19505 19829 19366 19553 21319 20865 22624 19806 20286 22322 20574 21875 21386 18886 18494 701.8601 701.8813@6.092 1305 701.8813 701.9471@4.925389 3225 5358 5618 13783 13355 3249 6771 6221 8911 8240 3568 3617 4482 3819 6503 6221 5645 5297 701.9471 702.4527@4.925545 3382 3346 8277 8496 4242 3289 5180 5507 3726 4264 2951 702.4527 702.4688@0.991 14643 702.4688 702.5074@4.683 11592 2455 6077 702.5074 C28 H62 N16 O5 17241 17245 17394 15646 13839 14263 17476 19118 15964 16762 14105 15294 12239 20221 17624 5170 14823 14324 6395 24165 16799 16978 17076 16467 19269 17273 17325 12280 17145 16780 16533 5062 12646 16269 24086 16244 18174 18053 18147 16199 16967 14431 13875 10457 17039 17980 16498 16802 17412 16483 17298 16411 16348 17085 12324 17825 17521 18029 27738 15495 14683 17416 11895 17868 16849 20698 12803 16780 15876 12750 17841 17729 13135 19497 20473 15478 6681 17311 26877 36668 13737 18557 17277 18419 17729 19569 20673 17743 20169 18532 15954 702.5075 C28 H62 N16 O5 + 4.78596 6046 6959 8406 8751 6240 8497 7870 6928 8671 8195 5877 2682 7584 4813 6839 7152 19147 9372 8860 9626 8757 7046 8719 8137 2496 10052 9006 8243 13406 5216 8517 7169 4792 6302 8246 5263 6954 8310 4890 5543 8991 7872 6885 8972 8557 9190 9195 7518 9081 6875 8723 8455 8977 7548 7316 6554 5594 5384 6080 8018 7941 6925 8490 8699 6776 8255 17453 8859 5619 9883 10089 8945 8995 6879 7646 9912 6559 9356 702.5084 702.5706@6.148625 2317 8799 2761 5056 5615 5488 2947 11452 702.5706 C35 H74 N8 O6 145035 153459 232509 152732 249918 222545 322676 226117 207491 208078 451933 460196 272067 274039 214485 215212 176935 182230 410444 370313 180555 182386 103779 102016 239456 239520 153990 239673 373167 363212 194005 192159 180381 204714 96559 109602 222534 219756 223959 225363 172876 259449 261948 262149 336027 315514 384922 359432 178504 186962 157142 167649 189218 157567 218421 229313 254558 269596 294394 300513 288018 301254 317205 223910 280398 282036 270666 254648 412977 422603 372547 367543 190682 191523 252825 250089 373341 327365 314924 468994 314400 185556 192469 494147 722990 736558 597473 286120 280172 702.5742 702.872@6.0763335 2091 3837 3639 702.872 702.8847@6.0836926 3309 4412 3469 2337 1563 4759 3450 2201 1763 4614 3376 3410 7335 702.8847 702.8981@6.079 4823 702.8981 702.9802@6.089 1187 702.9802 702.9929@6.084 3550 702.9929 C24 H13 N7 O17 S + 4.7834086 5182 5267 3933 5357 4446 3826 4857 4153 4118 3966 4601 4689 4570 3374 3744 12753 5877 5025 5198 5045 4262 5688 5525 5121 5081 6773 4803 4537 4576 4440 4208 4606 4475 2710 5292 5532 6226 4784 5542 6034 5472 4566 4442 5500 4393 5217 4790 3997 4020 4501 4652 5071 5421 4761 4811 10860 5591 5501 5423 19175 5547 5975 5950 15827 4997 11800 3385 6390 6201 15698 5404 703.0093 C24 H13 N7 O17 S 10432 10355 10692 10280 9640 15878 11537 10984 9882 9525 9036 10777 10155 10415 10311 13342 9263 16982 3712 9917 11246 10951 11225 11033 10599 10826 11356 10687 9417 10695 14329 10227 10099 14665 10394 10949 9861 5919 10434 9469 9609 8054 9752 9212 11535 10810 10832 11476 11255 11226 11017 11410 10802 10450 9520 10344 10227 15980 12038 9184 9667 14559 9023 9660 10470 9792 8432 14791 9612 10544 11357 15422 11801 4931 10534 10894 11061 3901 22659 9433 10111 10948 10942 14217 9368 11159 11194 703.0096 703.0102@6.0885 3857 3745 703.0102 703.0102@4.775 3523 703.0102 703.0177@6.083 1609 703.0177 703.063@6.082 3889 703.063 703.0729@6.087 3742 703.0729 703.1051@6.08325 2370 2261 3640 1166 703.1051 703.1318@6.087 2675 703.1318 703.1597@6.082 2030 703.1597 703.2016@6.0835 3824 1492 703.2016 703.2346@6.081 2082 703.2346 703.3284@6.084 1725 703.3284 703.3439@6.084 2839 703.3439 703.4722@0.9913334 12489 13426 11305 13069 21446 32717 33237 6722 6991 703.4722 C40 H69 N3 O3 S2 8793 3837 4926 4499 15394 16210 5037 5160 4562 5698 5900 4251 4771 5212 5034 6152 6925 7593 7370 5393 4882 4730 3997 5336 5877 5296 4278 5317 5287 6037 6003 4831 4753 5243 4256 5361 17358 19135 8127 8077 3585 12307 10216 9443 9646 27367 27412 14797 15153 6940 6045 7363 7328 7224 4851 16093 5157 5646 7348 11053 703.4783 703.5112@4.7300005 2115 7004 3830 6693 2257 6916 7032 6449 7340 4572 703.5112 C37 H74 Cl N5 O3 S 4309 10470 9657 7383 7429 19461 19542 7273 6473 8230 8382 12110 11820 9381 9337 5780 6056 7071 7501 8216 20639 5373 5975 6731 8467 9187 6278 6161 5746 8628 6351 6245 5996 5846 6316 6441 5667 5696 5975 8409 9680 9929 703.5211 C36 H77 N7 O4 S 74283 69322 78311 124071 110789 103823 105627 106712 230955 231302 137499 136997 89933 79982 206894 185461 77573 77087 46356 47056 122818 122440 83172 2804 86164 85682 89213 88390 48117 47285 111555 111031 114447 117332 87629 133285 134159 139440 159488 160893 187972 91188 81946 79514 71826 81542 79023 111339 97966 133909 117806 150623 152003 145055 130430 113750 141520 145532 117245 127349 208505 214758 190488 185838 98752 97474 109567 108331 189238 166532 156568 158147 90078 99034 248805 300564 298417 703.5771 703.9015@6.08 1722 703.9015 703.9314@6.0885 2058 1295 703.9314 704.0179@6.083 2134 704.0179 704.0276@6.077 3278 704.0276 704.1342@3.644 22537 20820 704.1342 704.1431@6.077 3841 704.1431 704.2719@6.075 2146 704.2719 704.3417@6.077 2690 704.3417 704.3901@6.076 1653 704.3901 704.4208@4.926 3693 704.4208 704.4233@1.04 4540 704.4233 704.4931@0.986 9219 8966 704.4931 C43 H80 N2 O3 S 3249 4555 4515 4302 4341 5224 5131 10672 11418 5232 5063 3188 3929 4043 7041 7989 4241 4304 6624 6754 5021 4685 7043 6748 3688 4161 4725 4482 5515 5725 5131 4871 5334 5695 4758 4906 6943 7669 9053 9532 7753 7896 4860 4892 4300 4379 3331 3085 5583 5633 6192 6346 5633 6215 6791 6773 7693 7019 5852 6066 7207 6374 7622 8407 8017 8200 4758 4453 4805 5177 9699 9828 9124 10069 9056 5289 5296 12037 11866 14106 13265 4817 5084 704.5882 704.8115@6.073 2416 704.8115 705.4353@1.033 51040 51597 705.4353 705.4544@1.0380526 9735 4310 6541 6272 4196 4423 5123 5084 3133 6626 4314 4521 6384 4805 4353 5209 5503 3980 3355 705.4544 705.4779@1.207 14139 15501 705.4779 C35 H75 N7 O3 S2 8473 8084 8069 7569 32043 32048 13361 13850 8798 7827 46388 31495 25136 25313 8317 7814 12405 12946 33814 32722 7075 6143 16591 16791 9291 9062 12578 12635 7359 7327 21090 20720 11692 11755 8796 7161 7135 12269 9105 22040 21666 9916 11068 35340 34835 14351 14714 12225 10041 4176 8373 7915 17053 16992 18318 28364 21579 21316 8542 13204 19287 18842 11637 11726 10957 15845 9500 13719 10964 10947 6172 6220 17472 17842 24347 26999 26987 6529 6463 16784 25846 23227 19843 11319 11098 705.5372 706.3744@1.15175 2677 2415 2220 2216 706.3744 706.4541@4.6415 5479 5742 706.4541 706.4731@4.901682 4781 5241 6948 7229 20732 20491 5025 5716 9062 9490 12882 12428 5090 4541 5246 5465 5850 6422 8796 9022 8208 8434 706.4731 706.5403@5.228286 4546 4140 7570 7558 15879 4260 8985 9193 6555 6509 4122 7279 7616 5401 4851 10043 5622 4838 8939 10284 10080 706.5403 706.795@6.5087996 5271 4849 4610 4381 4734 706.795 706.977@4.901556 2329 3489 3940 12005 12095 2542 5372 5282 7254 7685 2408 2431 2981 2815 5631 5327 4146 4758 706.977 707.1302@6.508375 4576 4637 3335 3637 3896 3982 4093 4124 707.1302 707.4277@1.146 4390 707.4277 707.4546@1.135 2839 707.4546 C46 H65 N3 O S 8533 12458 13784 9392 13467 12446 6548 10843 10573 8117 12355 12011 10588 6673 8078 7453 27498 12384 10928 15290 12700 12915 12547 13959 12811 11967 2137 13548 13781 10688 9165 5400 7881 9828 9646 3620 13221 11692 5579 11998 6324 10407 3381 12539 12707 13677 8982 6950 5166 10201 10453 707.4857 707.4867@1.4863334 3325 2898 16563 11077 9697 8387 707.4867 C22 H48 N26 O2 2961 7015 7833 15497 14507 4716 5229 6302 6661 8200 8226 4822 5116 3357 4081 4350 4741 4709 4550 4100 7051 6867 6380 6862 7218 7923 3818 708.4453 708.9454@7.0468817 3437 3815 9340 9075 2834 3289 3430 4750 5128 2506 2353 3754 3610 4046 3686 3915 4338 708.9454 709.3938@1.012 6717 709.3938 709.4153@6.6369996 2468 11064 10525 4158 3666 709.4153 710.3413@1.202 29299 710.3413 710.3922@1.033 3880 3951 710.3922 710.503@4.8830347 6562 2996 2324 2972 9152 3039 3181 3851 4828 9606 3129 5181 3971 3876 8626 3523 7834 2946 4051 12485 10183 11759 8249 13396 3370 11247 11410 5656 11057 710.503 C32 H58 N18 O 2183 6015 10276 10649 9049 11002 12421 12013 12028 7942 7777 5353 11268 2608 11279 8517 8261 8540 13192 10309 6938 11110 11755 8862 12095 9331 12103 8675 7513 11511 12109 12211 9977 11755 11133 10404 11385 11120 9592 10197 7140 8638 11101 9738 11827 11558 8736 6487 9474 11486 11545 8340 7267 9020 8525 12149 8586 9316 13174 8660 11813 8462 11422 10298 2722 10236 9961 11067 10997 8393 11971 9277 11478 5897 11868 4520 9109 7754 16628 16491 11219 10017 710.5047 710.5056@4.823 5715 710.5056 710.5378@6.103 3202 5356 4567 710.5378 C23 H13 N5 O22 7006 7906 6974 6704 6853 6431 6818 6943 6699 6344 6397 6743 6297 6635 6698 6158 6195 8250 7082 6850 6694 6754 7069 7029 4373 7558 6821 7799 4396 4834 6801 7147 6906 5178 6319 5285 6701 6792 4192 5653 6187 5945 6040 7390 6938 7217 7383 5265 6532 4829 3926 6963 6978 6823 6208 6821 7479 6462 6352 6440 6861 6322 6960 6008 6389 5969 6938 7226 7029 7181 6549 7602 6736 6744 6996 11011 10615 4696 7084 7335 7494 7496 8387 7849 5251 6695 6203 6860 711.0065 712.2146@1.29575 64584 63334 130361 94955 712.2146 712.4108@1.1395 8566 9260 712.4108 712.5929@1.077 1995 712.5929 712.6024@1.074706 2862 2794 2567 2661 2129 2357 2764 2751 2698 2898 2978 2078 2579 2178 4926 5399 712.6024 713.3876@1.2279999 8538 10380 713.3876 713.4095@1.1294999 4152 3932 713.4095 C42 H83 N O5 S 10521 11376 12892 14497 6516 6610 18898 19361 6861 8046 9382 7947 7569 8038 8932 10114 8352 8280 15024 16562 5071 5294 5582 5315 6725 7388 6604 7223 6000 5226 7973 8090 12253 12850 11376 9402 9404 9546 13685 13595 7327 7557 11458 12166 8468 8700 14595 14097 9371 8636 17734 17422 7377 8120 12173 11641 6476 6492 15175 15086 17606 11652 13061 9937 10113 9404 10177 8769 9060 19205 19249 15536 14567 11910 11218 8604 3963 7496 10319 10556 16383 16241 16643 6276 6171 16200 13544 36288 36719 8895 9354 713.6007 714.1425@2.6894999 259878 286569 714.1425 714.5672@6.061931 3662 4792 5651 4558 12060 6424 4208 10644 10900 4929 4778 7359 7978 4213 5256 14783 4323 4027 7923 7043 8013 4448 4761 4436 12666 4904 5714 5650 31396 39388 714.5672 C46 H70 Cl N3 O 5184 5355 9404 9221 5733 5865 5989 5975 7162 6774 4730 4709 6435 6834 4974 4740 6083 11206 6812 7074 6779 6097 4353 4477 5977 6100 13182 13208 4080 9204 8649 6859 6912 5522 5602 10317 10664 4969 4207 5583 5972 8287 8458 5993 6506 5912 5709 7760 7737 10244 10309 5087 5598 4787 4315 5264 5335 3749 6386 6759 3086 8301 8163 9269 5218 5327 10162 9836 10575 9630 6617 6576 715.5219 715.5499@1.1714 7433 6310 6185 11277 11078 715.5499 715.5538@5.0887365 18404 17607 9527 12317 5717 4731 4859 6148 7489 3424 5813 4749 4917 5080 5047 4446 4704 16818 7792 715.5538 715.8744@5.461667 2000 2134 2050 2017 2139 1797 1858 1931 1852 2476 2210 2015 1923 2058 2262 715.8744 716.4584@0.99300003 10294 11069 716.4584 C40 H76 N8 O S 4027 5087 4423 4867 5537 6708 6876 5000 5037 5811 7313 7066 7489 6325 4402 4501 3530 7319 4445 4581 3918 6404 7080 7510 5107 5129 3883 6390 6051 5224 5010 10002 7270 9905 16765 4342 4602 3421 6042 6400 7472 7513 6548 6805 9337 7362 6947 4267 6573 6914 7294 6403 7933 7873 9510 5801 4167 4512 6012 5826 7899 7836 7699 5165 6866 7511 6813 7285 4977 5167 716.5888 717.5265@1.207 4832 717.5265 717.537@4.52 4142 717.537 717.5464@5.2 3333 717.5464 717.5647@5.1733427 6689 19389 15278 6186 23209 7681 5208 10528 10589 8189 11691 7622 8649 2822 14011 2257 2433 6485 20748 5300 6062 7622 3470 9027 14603 11455 14766 9484 9018 6500 21101 6338 7479 4965 2942 24354 26811 19646 717.5647 717.5686@5.160125 13957 5638 29985 4917 12820 19432 6286 14191 717.5686 C41 H81 Cl2 N3 O2 5817 11777 9066 4289 5358 5117 4309 2804 4992 7427 8364 6744 6694 5115 5135 6637 6878 12290 3937 3362 7879 6821 6048 15170 7435 5984 3815 10395 5019 13755 9940 9552 6298 2157 4276 5884 4819 3712 5665 6476 4513 4292 5639 6242 8190 3393 717.5714 717.5913@6.0568576 3485 3465 5247 4175 4169 3493 3286 717.5913 718.364@1.163 3629 4142 718.364 718.5464@0.95159996 1925 1914 2019 2414 1817 1363 1833 2065 1639 2289 1811 2015 1350 1859 1734 2491 2708 2585 2904 2671 718.5464 718.5497@0.99772733 2359 1590 1379 1523 2360 2323 1159 4224 4044 3218 8952 718.5497 718.5583@1.0770714 3121 3760 3718 4255 4853 3532 3599 4064 4048 3223 3132 4322 4383 4259 5015 3257 3751 4843 5062 4519 5104 4497 4585 7584 4167 4773 9026 718.5583 718.5667@5.169 4447 718.5667 719.2764@6.741 3054 719.2764 719.4867@1.2000833 13741 26088 3851 3780 3054 2754 4964 4049 3274 3237 9931 3850 719.4867 719.507@1.197 5073 719.507 719.5625@5.1994996 9929 9129 4320 7649 10140 8010 2782 7001 7257 13480 8393 3768 2309 3614 5561 5548 719.5625 719.5725@5.1882334 4858 13948 4320 9537 9503 6809 6332 6189 6464 6793 2071 6043 6334 3561 4728 5290 6885 2310 7934 7976 10393 6440 6104 5687 4828 5959 7110 8096 7328 7954 719.5725 719.58@5.1765003 10892 4661 719.58 720.4292@1.144 3258 720.4292 720.572@5.186 4582 720.572 721.3314@1.115 2571 721.3314 721.4449@1.0411428 12936 4324 4862 3997 5966 5605 3316 4681 5954 5309 5020 5157 7051 7080 721.4449 721.471@6.586333 3959 3910 3506 721.471 C26 H59 N17 O7 6787 42456 42047 15970 16773 9248 9036 4414 81317 79680 155541 155345 9870 9125 53375 53899 79370 81911 123496 121876 22392 21840 28897 28409 8272 8662 24047 25222 46334 47932 51572 54188 51523 52244 10404 10470 3342 115308 112101 11151 11331 68342 71021 8411 7787 4413 3809 10114 8990 10493 10228 29381 30464 3563 8640 8590 12115 10982 9121 10139 721.4793 721.4806@4.9557896 6789 4959 3668 3917 12843 6763 6748 9195 8233 3139 3614 5333 6107 7546 7302 4677 5263 7676 7557 721.4806 721.4908@1.9944999 4088 3085 721.4908 721.4967@2.1028335 2767 5211 2767 3342 16425 3143 721.4967 C38 H75 N O7 S2 11783 21316 13061 6977 16497 10713 7473 16728 12697 6616 9728 9190 14574 9116 83753 81777 16651 17971 18260 22120 9749 42552 15516 11216 18064 16670 4073 4573 8679 13328 8122 24624 22836 9292 5139 9762 15066 29452 29283 9007 6913 8541 6150 15112 8154 10223 8233 7481 32869 35132 8135 15987 14432 4359 9999 13808 9712 8743 10196 5670 7140 9738 9648 6107 4666 13406 5149 6187 4760 7143 3907 9458 10082 9411 721.4983 721.5@1.9235001 15814 7840 721.5 C47 H67 N3 O S 16449 14023 16458 19193 16740 27835 17264 10188 23451 23442 5237 9060 9030 11025 11286 16538 5837 17420 148585 137484 16788 22845 40171 39360 18911 19844 54819 36984 15705 10032 32264 31751 14682 8333 18508 27758 24691 18636 34087 30287 13075 3956 16407 22331 38533 41464 19302 19189 10834 8977 21388 16521 13604 17443 9580 10728 62102 58989 10631 14320 9269 26596 18793 15453 17550 24503 17919 11282 13527 13379 19054 20154 10783 8811 8652 4942 12396 16335 12306 5907 10015 11463 13961 11717 12188 6505 20092 11534 7481 721.5008 721.5022@1.322 13742 6875 4038 721.5022 C35 H71 N5 O8 S 130488 128515 113896 112862 171476 176183 103480 108312 162293 154464 58749 58215 89877 88976 61658 59854 112286 111046 949995 1002074 133040 135368 198996 218486 107587 115260 382670 363344 41357 42190 123557 115001 198950 191455 70784 68231 161870 169962 95997 113425 210203 223785 70002 78803 135795 143399 262835 257475 108266 109000 78576 67675 129807 123455 122882 118238 69063 71816 389507 403422 88124 88636 149636 131637 83615 87143 95560 89002 114259 110281 91082 92568 92426 102222 74881 83270 48807 20944 55547 124679 127410 53143 57394 56794 71108 73582 61118 70967 101583 102012 88164 89981 721.5027 721.5029@1.1965 5561 5193 6356 9244 9340 13303 17939 3212 2654 2975 6636 7325 3426 2420 3715 2651 4011 3844 5451 3388 721.5029 721.51@4.4142857 11147 10561 4812 4552 11914 12130 5336 5307 6557 6091 4400 4548 20252 30183 721.51 721.5194@2.106 6178 721.5194 721.8041@6.58675 3564 4068 2500 3108 721.8041 721.8175@1.4645 5963 4846 721.8175 721.9593@4.0919995 7275 7809 6981 7290 721.9593 721.9807@4.9389005 2655 4186 7263 2623 4083 5908 5287 3597 3161 2482 721.9807 C22 H10 N8 O19 S 3930 4453 27115 28255 10376 11336 6122 5556 54186 53744 101289 103144 5663 5452 32987 34023 49992 51939 80309 78298 14236 14286 18909 19290 5581 4699 14823 16127 29660 30262 35464 33623 33132 33651 6162 6251 71840 70841 3860 4424 6691 7374 44589 44888 4442 4831 3962 4482 5698 5939 6980 5943 19075 19581 5462 5208 6864 7260 5647 5740 721.9808 722.4597@4.0975003 4739 4238 4596 3889 722.4597 722.467@1.18384 3761 4528 52956 53477 2044 5999 5801 10514 10975 28335 28022 5476 5251 16375 16496 8042 8116 3693 8758 8602 2180 2715 22545 23290 3872 722.467 722.4842@1.1882 3120 4880 4057 2898 2359 722.4842 722.504@2.0870001 7553 5383 4180 3104 10396 15016 4463 11135 9480 6052 10538 722.504 722.5065@1.608 5985 722.5065 722.5407@6.089417 56021 114116 19371 46937 34090 25348 45979 92311 96705 16074 109271 247137 722.5407 722.6275@1.0642 2624 2623 4479 5301 4721 3354 5113 3018 5591 5607 722.6275 723.4507@1.1815 11179 12087 723.4507 723.5082@1.516 8333 723.5082 723.5092@1.5156666 2790 4512 2819 723.5092 723.5176@1.113 3023 723.5176 723.5189@4.424 5898 723.5189 C48 H70 Cl N3 12308 13159 9698 10042 13313 12675 19016 20924 11131 15269 13486 13465 13117 12782 9504 12141 10775 10909 18786 19988 15883 15877 13700 13615 32683 37615 17798 17803 17256 17674 25928 28413 16795 17587 14231 14303 10538 10654 17278 18629 17148 16422 16365 16879 31197 36077 21278 20878 19008 19840 12800 8874 21117 16463 13060 13909 29969 24030 10169 13994 16536 15668 12186 11859 92967 74630 17417 23962 19817 24408 25350 30655 15494 15173 10320 9762 18674 11926 24299 35823 38298 41902 17349 18524 39566 22067 13859 18998 18435 18511 723.5255 723.9617@5.0063334 5443 4517 5245 4955 5092 4833 723.9617 724.043@6.082 2216 1960 724.043 724.4238@0.72475004 8562 9179 2646 2569 6866 6994 2963 3173 2972 3192 3580 3729 4170 5497 5376 724.4238 724.4646@5.004333 3451 3349 2954 724.4646 724.5195@4.8566756 12846 5040 4434 4438 3164 3730 4580 5152 2181 4573 4026 4295 3729 4291 11953 6499 5740 3993 6461 4682 6145 4436 6310 3640 2334 4463 4496 5428 2216 3161 5594 7718 5610 4927 6571 13323 4846 724.5195 C35 H72 N4 O11 4047 13374 17041 16960 16537 11983 16236 17608 14759 17471 11540 15516 12416 16190 12143 15832 13479 11354 2508 19729 18277 13450 17942 16905 13344 18096 18257 12939 9076 16226 17651 17270 12289 16638 12192 15486 16288 12068 12382 12627 16050 15026 14897 3445 15338 17962 16842 11659 12299 12752 13762 8115 9792 13495 17734 18372 17416 12504 9530 12736 16000 16469 16312 13671 13689 11545 15009 15335 15883 11972 13795 18499 17094 3021 18225 15675 12926 5451 12699 26740 26703 18336 18486 14128 12443 16896 17009 18099 4528 18030 11894 17338 724.5206 724.5233@4.6292005 13501 13036 18191 8119 28134 724.5233 724.53@4.4195 7173 15529 724.53 724.555@6.092 39720 724.555 724.5978@1.021 8562 724.5978 725.0145@4.836934 3000 3210 3050 2625 3009 3086 4292 3438 3268 3288 2733 2870 3287 4765 6824 725.0145 C24 H15 N5 O22 9567 9514 7630 10065 9449 9773 11239 10996 10409 9921 5972 8851 10161 10224 10515 9363 9848 9461 12524 12251 7858 11492 11569 10583 10906 11388 11705 7751 10105 6070 11024 10492 6410 11099 7101 9768 8936 6749 7588 6745 9948 9015 10387 5967 10027 10941 11175 7649 11250 6869 10365 11121 10962 11176 11470 8978 11966 7894 11750 11378 9699 9782 9927 9730 8941 6551 9660 9892 9172 10763 11209 9504 10515 11478 11116 11223 10620 7426 8257 16747 17339 11840 11988 7262 12347 11899 12368 11993 11444 10795 3969 10085 725.0231 725.0513@6.0745 3434 3575 725.0513 C37 H80 Cl N5 O2 S2 7000 7431 8486 16603 17413 10041 9811 6298 12482 13798 12824 8317 8372 7963 7151 14775 9909 7993 5562 15948 17462 15344 15420 15949 16103 11770 11720 14502 12976 19290 16534 17594 17714 14606 12350 6561 6456 4114 8694 14056 7522 7824 8255 5252 36283 12776 13058 10569 13779 14055 7496 8842 14789 17337 22671 27128 6604 6704 23201 9980 10982 9891 725.5399 725.5592@6.0825 14679 12409 725.5592 726.3487@1.188 3153 3383 726.3487 726.4474@1.9635 3209 2361 726.4474 726.5383@4.442 3853 726.5383 C41 H82 N4 S3 11493 12009 6890 6057 11512 11675 10336 3881 13766 12496 28641 29308 9958 11036 8916 8030 14230 13974 24245 17019 13031 13901 9211 9142 11586 11288 12577 26650 18426 18478 16944 19077 8951 12548 19356 22603 15544 16308 12854 13043 14685 16861 11207 12306 17031 16051 24189 27787 18279 10510 12603 10997 11208 15005 25150 17627 21274 12823 15292 22114 22876 19472 22436 21523 35908 15312 13482 12621 16458 34553 33509 20471 20307 12084 13597 30033 28924 22943 30935 19054 18725 15157 13079 12571 27367 31683 350606 322069 10407 8403 726.5727 726.5742@6.0553336 3665 10520 3681 726.5742 726.6181@1.017 3246 726.6181 727.3674@1.202 21068 727.3674 727.5137@5.203 8734 727.5137 727.5146@5.1914997 4739 6388 727.5146 727.5491@4.439 9855 727.5491 727.5566@4.4404287 2880 6359 6473 3814 4333 6680 15836 5528 6097 6437 6889 10821 4119 4610 727.5566 727.5756@6.0255 6853 5125 727.5756 C40 H81 N5 O2 S2 3973 3563 3400 3589 4695 4826 4214 4237 3710 5035 5816 3830 3892 2845 3879 4058 4462 5146 4443 3640 3314 3564 3370 3709 3542 4016 3724 3967 4011 4066 3846 3959 3835 4036 4578 4693 5167 3595 4016 5661 5049 4096 4243 4085 4532 5134 3934 9363 9535 4321 4698 3956 4946 4467 4109 4144 727.5847 728.4046@1.1819999 5922 6155 728.4046 728.4878@4.9849544 2612 3054 5585 5673 13439 13728 3812 3582 6332 7286 10048 9399 2954 3441 4104 4162 4331 4727 8848 8265 5828 5633 728.4878 728.5625@4.441 4234 728.5625 728.5847@6.106 1569 728.5847 C44 H85 Cl O3 S 103883 103101 44672 61440 118768 109314 92603 93999 110292 79964 189023 209635 93303 95159 37071 48641 74645 52390 169212 164813 106519 71367 52373 40654 91194 88981 55818 61728 152332 141590 114023 120122 79343 76934 66028 65515 44523 52107 95083 86687 96668 59026 84191 105383 67741 68035 168487 159350 273468 182570 81422 88546 50560 49995 139627 121836 152736 167215 102850 72654 180988 186478 172426 174758 66775 55411 133234 120538 86039 55698 262857 292082 96386 122575 90274 97523 120753 120094 147505 114326 155518 146166 149126 104312 120563 141704 183820 46096 60711 728.5894 728.9037@6.03 2539 728.9037 728.9881@4.9844375 3215 3594 8609 8854 3788 4407 6809 6555 2220 2210 2563 2298 5701 5795 2959 3967 728.9881 729.3376@1.129 4153 729.3376 729.5371@5.169162 40780 47268 55008 55188 86933 73346 295410 298263 27064 27596 121515 125180 103523 126370 47163 47562 260102 257155 137665 135299 130441 32474 9643 9808 69047 69113 189344 185155 54123 51971 38386 37259 100644 98988 300952 299849 131491 126044 182622 42350 251079 271228 47882 46817 196679 219657 82344 82357 67949 66392 48823 49214 109064 103141 152486 156839 35791 41051 50887 50791 144711 148370 76660 75988 96983 94816 294056 300113 210479 192294 91294 96537 284811 281204 194954 204367 168925 175082 185023 77640 78343 74306 79190 77633 31636 30591 450828 448758 155413 158315 191392 157579 729.5371 729.5869@6.0354996 44538 45246 118501 265719 729.5869 730.3446@1.1110001 6947 7540 730.3446 730.4585@7.1494203 4935 4692 10352 10121 3004 3250 4781 4503 6227 5822 3381 3276 2770 4946 4905 5303 4794 5274 5149 730.4585 730.4822@0.98325 28408 27816 5632 5548 6045 6082 7915 6874 730.4822 730.6027@6.0304437 13904 21239 20722 20784 22231 31463 16569 22401 15598 15418 28470 25490 25690 90527 19927 19843 20228 32867 34256 27877 39746 44246 43892 34828 55515 148762 17325 730.6027 730.9593@7.1496663 3001 2681 6339 6158 1802 2713 3455 3216 2785 2988 2435 3130 730.9593 731.3072@1.1865001 2598 2423 731.3072 731.5087@1.201 5651 731.5087 731.5378@1.7395 5745 17681 12678 5163 731.5378 731.5438@1.201 2852 3507 731.5438 731.5439@1.8242 5656 20530 9985 9549 13835 731.5439 731.5524@5.218 4780 731.5524 C32 H70 Cl N15 O2 91765 87320 92543 90942 219919 219359 85594 85768 452573 461359 150925 253383 78819 79281 400418 628613 73064 39379 40799 283633 459718 180836 107255 127435 112332 212627 206295 171792 141451 94599 207905 210596 203899 304945 178263 174711 146784 147546 94889 92704 182653 184985 225151 186824 207042 254695 181398 184463 210962 215149 206115 179878 160774 216940 162090 67106 66452 412876 405300 731.5533 731.6082@6.03255 9731 10269 6844 11027 10499 17504 15501 4776 11279 11597 6530 6429 8886 8707 14004 10012 12742 24084 13309 10370 731.6082 731.8637@5.166 2931 731.8637 732.3234@1.202 7419 732.3234 732.4294@1.15 5727 5897 732.4294 732.4426@0.749 3858 732.4426 732.4638@1.0 12110 11488 732.4638 732.5175@4.82 3249 732.5175 C26 H56 N26 6938 6970 8032 4295 7425 8096 7608 7917 6864 5722 6337 6914 7219 7114 6825 6915 6353 8236 8402 5040 7508 5773 6008 5412 5168 5917 7906 6960 7724 8334 7768 7521 7637 7203 7175 7541 6118 7744 5598 6636 4884 6345 6077 6912 7803 7440 5910 7334 6977 7025 5492 5755 5443 7393 7326 7325 6755 7949 8017 3951 7345 5703 7480 7072 6666 6764 6209 6871 6838 7242 7514 7745 7241 7574 6276 6084 7273 5763 11737 11713 5743 6454 8153 8210 7548 6337 5419 7310 6980 7107 6200 732.5181 732.5506@5.224 5590 732.5506 732.5562@5.1659746 73305 72519 75600 76788 136641 136643 290816 290646 123027 63855 63389 251745 177738 88287 129607 128972 95573 91695 135652 135708 140356 120361 118733 101668 103395 70093 71145 140761 141765 160070 162234 99681 103161 159406 162744 134728 116842 119345 285411 287659 732.5562 732.7917@5.17 2543 732.7917 C32 H15 N O20 5101 4086 4652 4191 4322 3908 4364 4278 3558 4335 4352 3109 3743 3417 4823 3992 4356 3616 4264 3954 3751 4017 4245 4073 4573 3449 4334 3334 3303 4514 1496 4773 4252 4224 4350 4395 3081 4575 7053 4284 6343 7299 4605 4476 4401 4824 4067 4734 733.0202 733.5669@5.1721873 33273 32208 63298 9009 34950 17872 18512 48711 39630 38656 74819 75008 72275 66304 30686 32133 733.5669 734.5703@5.171667 25208 13747 18038 7524 16930 11201 16245 26496 12457 734.5703 735.4858@4.9715004 4851 4866 735.4858 735.4862@1.2 15263 15678 735.4862 735.5159@2.082 13990 14590 735.5159 735.5173@1.4375517 5477 8705 9005 6864 7432 57923 61169 12177 13737 6976 7150 23188 21064 9831 9913 6832 7197 11479 12618 7696 8085 17376 17901 6974 6059 25813 25155 4760 6930 735.5173 C36 H Cl N2 O9 S3 2422 2093 2658 2787 2600 2644 2794 2613 2484 2668 2545 2480 2520 2641 2623 2373 2524 2453 2598 2946 2678 2719 2372 2569 2540 2966 3146 2528 2656 2479 2822 2560 2886 2836 2660 2347 2528 2109 2450 2754 2452 2506 2896 2732 2661 2605 2413 2496 2578 2575 2552 2609 2821 2699 2666 3031 3192 2345 2660 2556 2586 2555 2936 2712 2717 2470 2425 2375 2933 2695 2553 2815 2954 2611 2550 2912 2745 2898 2439 2619 735.8547 736.1243@2.673 5370 736.1243 736.1289@2.729 7135 736.1289 736.4586@1.176 12001 8578 736.4586 736.4843@6.673 2406 736.4843 736.4889@5.144 3982 736.4889 737.5017@4.473 10325 737.5017 737.5403@4.3985 7471 7864 737.5403 738.4508@1.116 3600 738.4508 738.5428@6.072 8826 738.5428 C33 H65 N13 S3 9519 8668 7327 7247 12098 10659 4883 5105 9683 8972 9086 8511 3818 3957 8156 7883 20278 3940 44862 44805 8064 8325 15311 14400 12751 12993 20263 17478 4843 5241 9420 8783 22502 23295 9786 9675 14706 14756 12024 13149 14740 15366 5996 8217 12398 14846 23611 23238 9596 10401 8659 7423 11321 10691 9682 8049 10555 10770 21643 20972 7766 8656 12171 11414 6468 7186 12287 8218 7689 8124 6573 6566 9170 8489 9209 8356 6967 6534 7011 13853 13550 9314 8639 8869 7479 8856 8765 12919 14009 6866 8258 739.4634 739.4637@5.267917 5116 19392 9816 9098 5464 5201 4283 5900 6496 5949 4910 9315 739.4637 C38 H65 N11 O4 10098 7783 10203 10161 6491 8491 15154 14721 11559 11530 11576 12555 15266 8986 7742 8216 5247 5454 20431 16166 19218 9009 16259 10768 11627 10583 5500 5887 10316 9863 7805 7377 9032 9290 13106 14311 9277 9138 8955 11533 13088 6117 8145 10404 20224 20530 20358 7706 7683 5260 5533 10732 10188 16588 17600 10610 10378 11436 11465 13022 18595 28526 17911 10610 15008 5970 8822 10420 10386 5288 5524 5371 7773 11143 7994 10906 7570 7111 14053 15241 13894 13626 7867 14025 13277 20601 19523 12612 11834 739.5215 739.5539@5.070833 5446 5682 4808 5189 4249 3915 3954 4092 3784 5968 6259 4827 4991 3904 5463 5330 7038 7810 739.5539 739.6206@1.206 1687 2166 2000 2144 2846 2465 1556 2096 2182 2026 2232 739.6206 740.3447@1.131 5009 4415 4097 740.3447 740.4208@3.7065 6274 4854 740.4208 740.4209@3.698 3873 10979 6500 3294 740.4209 740.5221@6.078 3123 4232 740.5221 740.5248@4.4750004 10916 3989 740.5248 740.6228@1.0645001 3726 3599 740.6228 740.6328@1.0651668 2485 2660 2534 2520 1915 2361 2526 1310 2244 2909 2638 2201 2169 3084 3700 1791 3180 2184 4034 3131 3030 5893 5815 740.6328 741.4864@0.992 9699 741.4864 741.4961@5.178 4094 741.4961 GPEtn(18:0/18:3(9Z,12Z,15Z))[U] 9538 12110 9770 30283 31123 15774 15410 14369 11565 17772 11676 11027 11208 12963 10491 19232 22560 8510 7611 16389 15456 8386 7953 16748 14674 31522 30695 13993 23809 24786 4954 4616 5969 12308 28135 21174 13226 12802 10420 10525 16802 16409 21252 16360 12229 11769 11134 18144 26518 11892 8810 11796 12264 15923 15851 8557 17989 10189 18978 7107 19189 20155 7524 5647 13906 29859 22191 21603 7985 19600 LMGP02010045 741.5379 741.5529@5.172 1853 741.5529 741.5719@5.12547 34530 2613 3755 3859 29606 27889 4502 78956 31801 3561 3688 4409 4107 3210 4041 6318 11977 741.5719 741.5728@5.1 2588 7741 741.5728 GlcAbeta-Cer(d18:1/18:0) 60756 63154 63174 62432 93534 86568 112263 113094 64690 70914 113870 216197 99460 107306 42847 43153 55680 53042 173268 158703 56898 58942 68410 67402 107584 111987 50506 52966 148867 152778 132882 151549 127531 127861 111242 115460 123543 117142 87143 91353 144403 145081 38443 35441 130299 118772 117497 130274 110318 106922 84842 97371 64002 60582 50879 48043 78103 72870 73073 87772 99877 99417 97469 104005 176804 187483 104596 103599 138557 130040 110891 119887 112682 111346 123420 124463 120045 116231 123731 164166 160302 142967 142424 139571 65906 62818 250336 247423 146556 172869 84929 85891 741.5744 C38 H75 N15 8067 7368 10680 10855 6761 7161 14228 14966 5523 5213 11171 6105 5721 9312 9266 8283 8147 17910 17659 3414 3213 4817 4769 7776 6887 4759 4386 4839 5085 5501 6092 10832 9918 10084 10168 7120 7390 16560 16786 5687 5662 13081 12319 8616 10575 13768 13655 7560 7537 16845 17445 7360 7665 9422 9115 6662 7432 15816 16135 20997 20367 11295 10692 11883 12249 11747 11330 10207 10054 16076 16230 12340 11899 7903 8595 8759 5588 9328 12168 12169 19181 18965 18829 6289 7269 16926 17512 38397 38617 9941 9474 741.6351 742.5023@0.988 6799 742.5023 742.5666@5.116 2415 3494 742.5666 742.5956@6.0056667 4363 9961 8386 5615 17720 14015 742.5956 742.606@6.005 11817 742.606 743.4969@5.0198 3799 3585 4965 5233 2636 4503 4628 3718 3390 19696 743.4969 743.5075@5.1047144 30161 42926 25481 80811 72458 72961 109277 743.5075 743.5194@5.111 46212 45019 36407 25756 743.5194 743.5263@5.1495 17163 25380 743.5263 743.5521@4.497808 5861 4175 4541 11132 7360 7401 16619 16230 11389 13662 4401 9102 5571 9802 5217 7831 11543 16209 7176 5084 5195 12074 11089 6441 17479 11676 743.5521 743.5532@5.144099 100068 29611 49726 107269 167453 11714 1365 105912 102933 23652 43412 123739 148905 33926 17466 21748 108949 106997 107312 92663 743.5532 743.5628@5.1402225 44350 144024 25706 27131 55828 37611 97609 116699 87102 743.5628 C40 H79 Cl2 N7 O 24450 96248 114768 70456 100726 34172 97104 229349 66365 95052 267153 89195 79388 28252 54588 16820 29602 223770 82719 186817 212183 62272 34031 127860 72400 16163 45668 95763 19915 60282 22673 180959 226886 150010 36164 203687 162922 38256 87966 76610 124686 32459 63144 84291 57199 108376 120903 192678 65737 43280 100455 171071 295076 183728 114778 53437 67980 743.5703 743.5741@5.1215 162634 75133 105741 83882 743.5741 743.5768@5.1225 81023 92034 223664 172153 153281 93820 70444 165009 125925 205682 130807 165207 215753 162591 74028 251361 212174 248682 252072 104588 80658 161808 201606 146266 94211 86764 98825 32116 159149 158551 115509 52269 126595 213272 124603 155359 743.5768 743.9725@4.2173996 7791 8076 6997 6419 3956 743.9725 743.9896@5.0354 3136 97707 2948 2771 3119 743.9896 C26 H16 O26 4271 4588 26152 28003 10527 12222 6268 7468 49173 47862 4373 98136 5988 5991 32585 32825 57260 57498 82450 78547 14829 14376 15657 15968 6178 5914 11040 13513 32695 31301 37353 36533 32708 33146 7155 7131 77911 79891 4987 6193 8137 7473 45878 46350 5760 5693 5465 6048 6028 6265 7384 8217 20300 21468 7379 6735 6767 9100 6647 8474 743.9941 744.1475@0.83650005 31054 36944 744.1475 744.2078@1.2206668 103155 3196 2805 744.2078 744.4262@5.18625 4557 5850 3348 2980 744.4262 744.4737@4.2155004 5059 4774 3922 3868 744.4737 744.5364@5.128 21661 744.5364 744.5466@5.156 5251 744.5466 744.5539@5.14 9909 15232 744.5539 744.554@4.493 6241 4578 4163 744.554 744.576@5.1394 2912 13723 15329 16003 24548 14332 31180 14511 22530 10301 744.576 744.5913@5.0570006 5349 5793 6986 4946 8182 4628 10418 4661 4836 3935 10442 7370 6821 2926 8712 4616 2627 5515 6676 5678 7615 9189 12193 7430 13926 744.5913 744.6182@6.0028 2577 5812 4085 3823 3604 744.6182 745.5092@4.3900003 27440 16147 24113 2960 9901 13590 745.5092 C37 H79 N9 O2 S2 11492 100964 31341 21456 16426 20233 18022 81603 20878 7029 51935 48441 21521 11258 20959 20217 87234 55450 31350 66529 66561 14993 7991 32712 22071 15448 22235 74246 25615 11091 53140 20994 16342 22419 78578 745.5804 745.5814@5.154 2377 26488 745.5814 C42 H83 N O7 S 52924 1292 21400 5921 32923 28676 82883 32980 22252 47629 33122 29251 46971 51487 31089 48344 21438 69108 17353 13962 12354 65313 28627 36939 12453 98538 88877 77876 1880 66769 66445 12267 55733 745.5925 745.9585@5.1219997 3482 4450 745.9585 745.9712@5.113625 4094 11910 5901 5715 8911 8361 5808 5702 745.9712 746.534@4.9223332 7093 3068 3819 3078 3112 2999 3691 3993 2537 2477 4023 9068 746.534 C27 H58 N26 11497 11012 10765 3679 11203 11201 11871 9840 7912 10896 7282 7172 11811 10114 10881 7819 10241 10017 12712 13429 10324 11332 11961 12600 11628 11761 12035 8277 8524 11939 10921 5198 11544 9766 10195 10580 7858 4963 10510 9972 10000 9811 10278 7489 11058 12521 8801 11244 9100 7823 10674 10954 7732 12155 10850 7739 12037 9147 12649 11199 8397 9058 7864 8578 11028 6821 9912 7830 10037 10854 11422 10928 12153 7249 9196 11577 11795 8693 12083 19167 19017 12439 12264 11315 11663 10664 13142 11805 11929 11285 11902 11589 746.5344 746.5811@1.06795 4730 3559 3981 4397 2894 3425 4228 4116 4547 4843 3171 12324 4094 4273 4532 3930 4125 8508 8176 746.5811 746.5848@5.1586666 2964 3466 5626 5034 6020 4977 6172 10838 9007 746.5848 746.5961@5.1233335 23747 29965 5997 746.5961 747.0221@5.121 2928 747.0221 C26 H17 N7 O18 S 7139 4543 6272 6614 6648 6988 6949 7256 6450 6056 6118 6237 7118 6541 5048 6750 6086 6255 7859 8665 6983 6891 7453 7317 7538 7319 7420 5394 6952 4886 6485 7328 6869 5377 6529 6404 6620 7155 4929 6891 6251 4206 5884 4346 7098 7320 6986 7553 7494 5180 7015 7827 4766 7511 7568 6985 6810 7104 7285 7497 6255 6150 6714 6382 6084 6759 6200 6316 6255 6669 7556 2840 7243 7355 7767 7816 7293 8732 7091 12407 13140 7314 7999 8197 7122 5213 8865 8996 5093 6344 7198 6873 747.0357 747.0366@4.837 5342 4896 747.0366 747.0482@5.139 3934 747.0482 747.4832@1.03 16475 16375 4467 4770 747.4832 747.4963@1.203 7502 747.4963 1-O-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine 11691 48922 31551 31008 8142 27487 11116 10533 24312 37796 49316 49152 23168 40482 19404 29072 23966 34115 11681 11333 40630 7699 5471 5139 36511 55573 12613 55912 8998 20937 61688 12845 24913 33514 37722 6984 19548 46418 10471 39848 42926 9025 100935 71792 17375 46135 46712 16406 53176 53326 46299 41069 37534 67384 67364 41398 41778 49672 55725 38315 55438 28516 190472 10198 27942 25307 24196 15081 89351 28033 50654 35322 23799 12164 7657 42933 87699 61719 17841 19043 18395 12244 17794 53629 31226 29956 34263 747.5263 747.5907@5.1405716 7392 14486 7936 6173 3609 12652 20885 747.5907 748.4218@1.158 2771 748.4218 748.5298@4.3846 10869 6559 10588 3649 5619 748.5298 748.5485@6.0162 3189 3590 4631 4526 4309 5261 5222 4879 10620 9723 748.5485 749.4986@1.201 3916 749.4986 749.5412@4.381 72862 749.5412 749.5419@4.380975 45644 20305 56505 75011 29735 57138 23039 15922 16336 95738 91586 55425 57652 96922 46884 29846 19306 31349 28881 39834 9354 65269 24444 3758 96618 49150 71781 74383 73779 58652 34554 100614 46653 92426 48379 23986 76982 81820 4885 4453 749.5419 750.5019@5.084177 4241 9655 12602 2978 5355 5184 10701 11879 3170 3729 3188 3935 3506 9166 8991 8215 6215 750.5019 750.5464@4.3832498 5805 8001 8255 7596 750.5464 750.5644@6.0249095 10191 7084 11240 23333 19314 18848 17544 16174 80884 92348 14016 750.5644 750.9953@5.083 8528 750.9953 750.9989@5.0843 3132 8430 3905 5239 5966 6656 5372 6157 3619 3325 750.9989 751.4128@1.149 3078 2732 751.4128 751.4699@1.1725 4308 3652 751.4699 751.5186@5.1276665 3454 4426 4552 15364 7451 7300 751.5186 751.5202@5.1370006 2269 20788 4932 5959 15680 20672 60512 9435 4667 3504 3778 2295 6860 7386 7274 5222 7070 7767 4286 3170 2565 20539 2868 6246 8757 6209 3479 12635 3979 10267 12505 11186 8641 9058 6370 4938 3503 11155 11851 4323 42487 14354 6258 5439 31332 2004 751.5202 751.5233@5.1289997 4626 5105 751.5233 751.5451@4.432 2416 751.5451 751.5559@5.021 5197 5143 751.5559 751.556@4.383885 24748 21551 18891 17022 12819 14826 30961 20021 15923 14651 38791 28415 21117 19728 16243 23183 22752 30667 18909 3787 19014 3712 16428 110337 27229 22324 11507 2721 27180 37753 48888 24083 21743 21857 23786 751.556 751.573@6.026 5945 751.573 752.0268@5.124 11125 752.0268 752.1549@1.2953749 7859 8388 12549 12449 22959 22506 18634 18269 752.1549 752.4734@7.2514167 3639 3906 8010 8157 3477 3017 4609 4242 3092 3837 3878 3591 752.4734 752.5242@5.146 6328 752.5242 752.5599@4.3806663 9791 4411 4229 12263 7439 11047 10104 6084 4777 5753 7361 10650 12535 7961 7831 9158 7146 11724 10345 6996 7418 6624 6060 8883 7771 18418 14088 5863 6341 7053 45221 7736 6925 6798 17433 11116 752.5599 752.5847@6.0186152 3213 10698 11250 5948 5925 8477 11140 9735 17863 12747 12226 5341 10086 752.5847 752.6644@0.833 3621 4035 752.6644 752.9741@7.254667 4440 4774 2432 752.9741 GPEtnNMe(18:2(9Z,12Z)/18:2(9Z,12Z))[U] 19291 18718 19331 29306 31196 14212 22102 16949 8458 4960 6529 5029 26188 23849 21174 20839 25021 25286 40782 13013 183112 282447 20466 22145 36512 7668 16705 13462 41559 389264 26559 28708 14005 19639 26096 25719 20400 17861 21283 22332 25778 12580 8348 38848 17145 LMGP02010332 753.5355 1-heptadecanoyl, 2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine 24087 23512 23756 22156 39176 39860 30543 29266 17112 17034 30444 29601 25444 27367 47126 47884 36703 22362 46212 44288 29863 34067 6790 4513 20823 19813 20740 22801 28490 28252 19198 18371 32895 33843 34889 35052 27270 25742 17649 213514 18991 18616 30277 30269 20997 19498 47461 47535 36327 35578 13685 4349 14669 8521 19915 21544 22704 25876 15621 15431 59735 59986 31611 31196 46700 46563 29702 29675 13226 21482 47259 45987 22636 23034 21685 23844 18028 16575 14308 39014 37278 30013 29572 29812 19598 11606 45418 45886 47134 16708 19031 753.5386 753.5627@4.4001994 4881 5960 4719 7019 6285 753.5627 753.5821@6.022 7771 753.5821 754.2072@5.124 3634 754.2072 754.368@1.2045 35277 43248 754.368 754.5396@5.1092 6265 20009 7343 14922 5703 4546 9314 15716 11110 15800 754.5396 754.596@5.9975 4968 6516 754.596 754.6043@5.9952116 5237 5021 4204 11351 11466 6133 5910 6128 4835 4269 5108 7409 8740 11611 5607 7176 8062 4542 10138 10340 5602 5974 5009 6758 5389 5838 12908 12737 11186 10664 7286 7088 5799 5074 9668 8917 24760 17473 754.6043 755.5519@5.1775 1794 3151 313881 15409 755.5519 755.5537@5.1222005 4181701 4929628 3696302 4107326 5133676 5127141 6248693 347526 4170672 207237 6812099 6772019 360904 7448890 3118013 3074633 5194065 5080874 7854576 604822 3909418 3833727 92671 92873 270313 5763462 276429 3710347 5432855 5400615 4805801 4616142 6646174 6604988 6487164 6468169 6392420 7228187 5664266 95960 4075084 4105158 5661828 5732348 6238496 6285661 5714434 6405821 4089126 4093350 3516991 3486017 4368045 286375 3796462 3778917 259409 5434660 6618418 7465843 7855296 6495148 5744405 6275816 6315086 6267232 6102636 6529494 7474139 7040259 7003729 4982400 5068468 5747428 5570782 5759631 129975 7718949 6112400 6178394 6125717 4441149 4418032 9189870 1.00E+07 1.04E+07 1.01E+07 4130996 241444 755.5537 755.5722@5.033 1787 755.5722 755.5873@5.0452504 3170 3583 6682 1800 755.5873 755.8663@5.123 2457 2047 5930 755.8663 755.8883@5.1201763 5672 2830 6315 5335 5016 3271 5203 1744 2415 2412 1118 4514 2810 3641 5138 10140 10010 755.8883 755.8891@5.11925 4799 3204 5345 2212 755.8891 755.9145@5.136 1660 1539 755.9145 755.9413@5.107 2406 755.9413 755.9656@5.120167 2392 2326 2077 2216 2554 1315 755.9656 755.9838@5.141 1851 755.9838 755.9913@5.122333 3644 2472 2882 755.9913 756.0007@5.116 2177 756.0007 756.0189@5.1202497 1460 3153 10935 9634 756.0189 756.0301@5.132 8650 9396 756.0301 756.0499@5.142 2087 756.0499 756.068@5.1186666 4684 3339 3185 756.068 756.0853@5.121 2718 756.0853 756.1332@5.1227503 2695 3026 1983 3359 756.1332 756.1516@5.1192503 2550 1758 1881 6618 756.1516 756.1694@5.114 1826 756.1694 756.194@5.129 3367 756.194 756.2289@5.118 2029 756.2289 756.2755@5.127 1317 756.2755 756.288@5.126 3424 756.288 756.304@5.1184998 2807 1861 2331 1616 756.304 756.3288@5.108 2715 756.3288 756.3454@1.056 3313 756.3454 756.3477@1.0184728 59904 61042 58167 60234 67200 69430 84280 84981 80354 80937 33603 33728 32954 32460 25116 26341 17456 17347 24922 23857 29953 29972 32124 32665 17314 18278 22969 22951 16021 15199 60039 62471 69593 68386 70559 70650 67810 67611 84639 83228 50777 50925 25087 24823 29226 26283 28284 27404 31648 32327 34772 34370 34061 33959 30867 31776 21767 21559 45896 46190 78622 78422 66163 64558 57400 58558 35201 35478 61031 60887 52276 51695 36311 37261 32374 32091 34559 22463 34197 25241 24514 21477 32695 30909 58260 58863 48142 47701 116008 117192 62612 63584 756.3477 756.5558@5.1245003 79594 114963 113661 148661 756.5558 756.6137@6.017 3547 756.6137 756.6207@5.987229 47446 48321 42387 42423 62860 55596 33553 56352 53724 52758 37615 46742 53874 47353 29123 42227 41399 62608 52534 60016 72677 91689 21440 21645 48394 53831 55540 47616 119334 108737 52642 53995 31549 31211 63109 69481 41087 28911 38782 63935 52079 49134 65613 67197 25674 45062 95778 96134 123307 79068 49279 57121 41074 40753 89388 87623 112049 104061 44692 49166 57394 78094 70641 72991 49966 44044 24665 37352 54013 59676 108646 111101 56079 80794 58403 50512 76863 101880 67705 63314 67584 59804 67934 43451 65322 80501 71516 170739 156672 39325 45437 756.6207 756.787@5.12525 1298 2154 1178 2012 756.787 756.8699@5.1210003 3836 2062 1802 3747 756.8699 756.8973@5.13 3360 756.8973 756.9392@5.1155005 3467 2516 756.9392 756.9616@5.112 2110 756.9616 756.9913@5.1253333 2163 2373 1411 756.9913 757.0199@5.134 2060 757.0199 757.0326@5.118 2676 757.0326 757.0625@5.132 6836 5832 757.0625 757.0848@5.135 1990 757.0848 757.1112@5.109 1170 757.1112 757.2211@0.9826994 46828 40809 43520 43773 47850 38549 31423 31022 25175 27142 48912 42996 32384 32564 38986 39344 50218 38268 74859 74995 36641 35390 37397 34921 36981 37126 25537 24023 73061 78552 19151 19918 24495 22707 19829 19898 14942 14667 21109 22245 13338 12966 15677 16171 20343 16720 18133 18366 38243 38720 16695 17603 20415 18411 76946 76843 17244 16726 11956 12625 28189 28828 26116 23387 21627 25513 5532 13021 10640 9642 30298 30807 35044 34323 33224 32440 13166 10709 13211 14828 14756 33729 32309 32120 29764 29902 28713 29383 16997 15782 27133 27189 757.2211 757.4125@1.3080001 6273 6127 757.4125 757.436@1.1615 4209 4366 757.436 757.5624@5.2556667 19801 27150 28573 757.5624 757.5649@5.17575 2254127 123763 80000 1956 23152 129633 63579 160862 757.5649 757.5737@5.0548882 1512 1554 1516 1660 1881 1343 1579 1981 1206 757.5737 757.5764@5.0976653 1559 1880 1361 1.17E+07 9645947 3856 8344242 1781 1.22E+07 1498 4932776 4935826 1.38E+07 2298 9013390 1369 1682 281706 2019 2540 1.07E+07 1.23E+07 1.39E+07 1753 2609 1592 2265 2926 9145419 11460 1392 1.28E+07 1.38E+07 2487 1947 1173 2451 1378 1283 2059 1527 1.69E+07 1534 1430 1941 1223 1735 9079501 757.5764 757.6237@5.989 27966 27539 20159 757.6237 757.8987@5.1805 1322 1374 757.8987 757.9163@5.175 1062 757.9163 757.9782@5.18 1045 757.9782 758.003@5.172 1041 758.003 758.0138@5.175 1475 1617 1604 758.0138 758.0283@5.1639996 2439 1436 1518 758.0283 758.0563@5.167384 1422 1081 3588 1403 3749 1030 1424 1260 1676 1997 2923 2708 2909 758.0563 758.0612@5.1633334 2683 3453 1195 758.0612 758.0826@5.167 1228 758.0826 758.1127@5.171 1280 758.1127 758.1284@5.183 1206 1181 758.1284 758.1389@5.141667 154324 3949 2923 19316 26100 2612 1535 25877 48637 758.1389 758.1471@5.111 74791 758.1471 758.166@5.171 1506 758.166 758.1801@5.161 2586 758.1801 758.1987@5.172 1973 758.1987 758.2198@5.1592226 2868 4252 5167 1263 2811 20960 4230 1347 9597 758.2198 758.2219@0.985 9770 758.2219 758.2254@5.171 1139 758.2254 758.2308@5.1577144 1188 3893 4407 3730 6475 2817 3797 758.2308 758.2586@5.1643333 2206 4359 3116 758.2586 758.2742@5.1568003 3840 5120 7616 7993 1946 3053 3002 9596 10577 4657 758.2742 758.2835@5.1322856 7785 24430 13951 11073 16555 25471 3812 758.2835 758.3105@5.1347504 2289 2549 8688 16624 758.3105 758.3235@5.1605 4990 4260 758.3235 758.3278@5.142 5022 2038 14459 9101 758.3278 758.3477@5.153 6267 4861 16852 758.3477 758.3529@1.052 1230 758.3529 758.3734@5.1525 5961 2961 758.3734 758.3894@5.1228 32983 28422 53345 26696 35175 758.3894 758.516@0.991 9121 758.516 758.5751@5.119908 1964510 4918248 1902258 1899488 2411210 2409191 6743935 1961581 3191087 3199316 8492926 8480450 3077632 3059756 5310812 5255926 3723733 4043560 4035387 2788406 4027894 2616022 2608678 2339479 5462546 6835867 7056919 6631508 6579542 6166247 6499523 2692690 1888854 1901254 6087433 6151383 2978481 2995393 2683857 3010145 1843266 1853400 3462448 3503101 4325378 1719477 1713379 2604202 7145342 7598064 3695089 6162429 5714011 6423815 6456400 6628156 6440859 3062712 3496113 6988251 6902236 5071334 5028827 6207030 5972033 6185842 8414898 2963318 5384445 2998859 4666951 4668951 8336204 9058637 1.19E+07 1.19E+07 4156984 758.5751 758.6338@5.9861665 14264 13122 13435 9625 32057 21993 58012 20188 15296 11454 14937 17901 758.6338 758.8095@5.182 1112 758.8095 758.8862@5.1715 1133 3612 758.8862 758.8886@5.171875 1920 2604 1375 1551 2722 2778 1203 1487 758.8886 758.9093@5.169333 4059 1073 4674 758.9093 758.9201@5.16725 3310 1522 3620 1671 758.9201 758.9467@5.177 3467 1400 1613 1643 758.9467 758.9665@5.161 1866 1664 758.9665 758.9801@5.1705 2212 3099 758.9801 758.9904@5.17 1192 758.9904 759.0003@5.1815 3255 1551 1466 2102 1025 2171 759.0003 759.0122@5.16125 2597 4471 2193 2834 759.0122 759.0314@5.168 1147 759.0314 759.04@5.1646 1816 4232 3805 1734 4074 759.04 759.0562@5.160167 5994 3604 1194 2579 5699 3869 759.0562 759.0626@5.163 1382 8682 1310 1845 2529 2969 3118 4232 2705 3578 759.0626 759.0807@5.158 4409 759.0807 759.1194@5.175 1221 1876 759.1194 759.1427@5.1433997 1788 83435 11969 1413 6279 759.1427 759.1473@5.1354694 38287 2268 2159 3720 43610 97123 40439 22498 3212 2541 21484 5082 41322 71514 107994 2312 2247 34860 4648 57951 4521 40940 85742 94239 65181 71947 85470 90667 71699 3106 22910 1906 759.1473 759.1564@5.172 1198 2352 759.1564 759.1768@5.173 1188 759.1768 759.1966@5.162 2328 1149 2163 759.1966 759.2016@5.163 2209 3046 759.2016 759.225@5.143556 15495 5206 3727 2848 4841 2195 7733 4531 5071 759.225 759.2287@5.152 9253 759.2287 759.239@5.1453333 2627 7438 9407 759.239 759.2646@5.1563334 3990 1910 3745 759.2646 759.2864@5.140667 22406 2656 27862 11765 3473 3870 759.2864 759.3034@5.1545 5008 5190 759.3034 759.3137@5.1455 10309 1644 759.3137 759.3273@5.1511426 2936 3555 1718 5000 7842 2204 18874 759.3273 759.3463@5.1650004 1639 1387 1358 759.3463 759.3949@5.1213336 20891 23644 27233 759.3949 759.5202@0.991 139868 139876 759.5202 759.5746@5.3 3071 759.5746 759.577@1.201 4745 4619 759.577 759.5804@5.2426662 5652 9737 5027 9282 373936 4579 10354 10941 81816 759.5804 759.5851@5.153 211516 759.5851 759.5857@5.1362505 2550363 3820 2654868 2637091 3936877 3932347 2822659 5719868 5737318 19872 5692771 5712450 5724696 4034256 3823703 3187933 7322 281640 4018502 3501387 3525745 4769597 4810002 3428278 3765359 2784583 3012713 12961 3031076 3005997 192770 4237744 4555524 4366982 4419224 7385 10233 4205257 2493710 4265845 759.5857 759.5867@1.202 6127 6336 759.5867 759.6308@5.983285 5836 9421 5483 7579 6485 6447 7368 5147 6007 4511 7272 6102 9295 13559 759.6308 759.8049@5.175 1195 759.8049 759.891@5.172 1429 759.891 759.9043@5.161 3301 759.9043 759.9233@5.162857 1778 2795 1387 2454 21618 1232 1235 1999 2497 2953 1707 2733 1231 7082 759.9233 759.9259@5.1556 27078 4226 1140 3696 1378 759.9259 759.9385@5.167 2551 1238 759.9385 759.9675@5.1555004 1657 1664 759.9675 759.9835@5.168 1334 759.9835 760.0012@5.1584997 1359 2647 760.0012 760.0256@5.1650996 4036 1268 1161 2001 4302 1598 2866 1148 1747 5169 760.0256 760.0477@5.164 3499 1311 1743 2830 1613 760.0477 760.0573@5.155 4486 760.0573 760.0777@5.159445 1832 1384 1384 2965 3897 3658 1707 1118 5275 760.0777 760.0906@5.1584997 2576 1219 760.0906 760.1037@5.1575 2640 2256 1446 1317 760.1037 760.1277@5.164 1464 4046 760.1277 760.1396@5.157571 3575 2731 2800 12769 2850 4447 2644 760.1396 760.155@5.1152 16420 25433 28406 21531 122555 760.155 760.1667@5.130818 58175 4119 14887 31000 1426 71909 4194 17156 36379 1154 69207 760.1667 760.1956@5.1605 1536 1528 760.1956 760.2007@1.2005 2132 2801 760.2007 760.2091@5.15175 1234 3098 6208 9308 760.2091 760.2104@0.98333335 6515 6252 5669 760.2104 760.2194@0.98356956 9797 8794 8940 8915 10652 8382 6367 6292 5307 5460 10813 9104 6714 6477 8324 8341 10793 8929 15874 15391 7302 7485 7255 7085 7984 7331 4528 4977 15476 16095 3576 3739 5226 4814 3726 3761 3921 4211 3433 3322 3627 7383 7539 5912 4933 16292 15601 3552 6027 6187 4777 4068 6236 6417 6996 6939 7005 6582 6662 6381 6240 6323 5420 5585 760.2194 760.2313@5.1549997 4191 8542 2036 1242 760.2313 760.2474@5.1444 3354 33468 3727 1872 4469 760.2474 760.289@5.1285715 12385 4974 15093 12578 24337 23362 1761 760.289 760.2944@5.14 29644 1396 760.2944 760.3049@5.157 1704 1743 26526 1309 760.3049 760.3185@5.142 4804 7547 760.3185 760.3394@5.140714 4885 4022 3867 5458 12771 15505 1456 760.3394 760.3499@5.135 7924 7342 760.3499 760.3644@5.1595 6109 1188 760.3644 760.3856@5.133 11879 13730 1571 760.3856 760.3999@5.1311426 20211 45716 4481 13807 2229 23164 6482 760.3999 760.4137@5.1355 3206 34117 12646 1080 760.4137 760.458@0.947 2782 760.458 760.4697@0.953 1903 760.4697 760.5852@5.195167 3764 1367567 3442 1543523 4117 10902 760.5852 760.802@5.166 1733 760.802 760.9115@5.142083 23544 14489 1113 1691 1910 1643 23715 1342 27721 4053 2141 22683 760.9115 760.9217@5.116 57822 760.9217 760.9275@5.1185455 12326 73951 24945 9053 12856 17823 34685 29196 47971 33670 28066 29083 10231 18152 1379 14439 26613 50975 39517 2447 46304 121164 760.9275 760.9415@5.1306667 73751 27667 1563 1609 36167 35142 28262 1413 31026 760.9415 760.956@0.953 2153 2810 760.956 760.9711@5.152 1134 760.9711 760.9984@5.154 1946 760.9984 761.0105@5.1515718 6198 2657 1941 1892 1965 4795 3135 761.0105 761.0283@5.145 4033 1700 2296 761.0283 761.0361@5.1445556 2209 6362 4626 1677 1746 3336 2296 7793 3059 761.0361 761.066@5.1408 3231 7029 2928 15816 3249 9783 3334 15394 1275 3247 761.066 761.0704@5.1365 16196 6882 761.0704 761.0713@5.14575 1796 1966 4893 11867 761.0713 761.0858@5.129 2169 13748 2272 1153 761.0858 761.0945@5.142 17801 2752 4415 761.0945 761.1059@5.138 1966 6075 761.1059 761.132@5.154 2987 761.132 761.1435@5.1223335 10157 11394 11837 761.1435 761.1614@5.1293335 11226 10730 16473 13845 3398 2544 761.1614 761.1672@5.1297145 11639 14691 1517 14356 19384 7419 33582 761.1672 761.191@5.1383333 10579 1383 3123 761.191 761.2049@5.151 6162 761.2049 761.2161@5.1193333 4262 4461 4048 761.2161 761.2285@5.1355 6213 1903 9084 3249 761.2285 761.249@5.1377773 4161 1272 2129 5618 3382 11867 14398 6092 9595 761.249 761.2647@5.122667 7075 19498 10063 761.2647 761.2736@5.13175 1997 12762 4694 12487 761.2736 761.2965@5.1204286 7654 7648 7544 4147 4353 2449 12059 761.2965 761.3137@5.1316667 12328 17794 1427 18521 5702 6214 761.3137 761.3422@5.1321435 13359 2234 4267 1076 9866 8934 10238 761.3422 761.3471@5.128 6892 5037 10375 2122 14022 761.3471 761.3644@5.133333 1145 2885 5215 1133 8004 9080 7420 3037 3812 761.3644 761.3761@5.113 3842 14491 761.3761 761.3905@1.041 6663 5436 761.3905 761.4002@5.13725 9193 13299 13398 1150 761.4002 761.4067@5.1215 11524 7694 8507 9293 761.4067 761.4179@5.134 4823 761.4179 761.4427@5.15 1748 761.4427 761.677@0.837 7258 7200 761.677 761.8103@5.1386666 5705 5225 3568 761.8103 761.821@5.143556 1943 2409 2934 1930 2555 5329 1544 1513 2566 761.821 761.8406@5.158 1372 761.8406 761.8961@5.1175 4493 7029 761.8961 761.9127@5.121875 6160 12150 15988 15467 10913 1395 14236 10043 761.9127 761.9294@5.1258183 8757 11226 3908 2784 11318 1060 2066 17226 13291 3579 14225 761.9294 761.9504@5.1186 5672 12064 13746 7265 10580 761.9504 761.9625@5.126 9293 761.9625 761.9747@5.1268005 5149 1094 6207 8228 10980 761.9747 761.999@5.117875 11154 5863 6815 7186 13440 12050 10245 1580 761.999 762.0163@5.1284995 12743 2771 14203 11885 1343 5971 5082 5377 762.0163 762.0317@5.1312 7304 1466 7262 6328 4144 762.0317 762.0499@5.1254997 7942 7952 2557 9368 10630 1634 9821 8025 6275 3190 762.0499 762.0597@5.136 7036 13644 1442 762.0597 762.0663@5.1186924 7584 9815 20223 20192 6470 6776 10058 4960 15586 11026 6450 7641 4821 762.0663 762.0821@5.11925 7180 7016 13335 3748 7411 5449 9283 7094 762.0821 762.092@5.1299996 3580 7036 13024 762.092 762.1191@5.119222 1521 9718 3777 7449 4180 3886 10343 4147 4742 762.1191 762.1237@5.113 5731 762.1237 762.1363@5.1262503 2386 1795 7777 6226 762.1363 762.1485@5.126333 6670 7713 6049 762.1485 762.1679@5.127 1934 12961 7179 6194 14296 762.1679 762.1806@5.1183333 7144 3190 9716 12517 10534 8232 8418 6204 15424 762.1806 762.1825@5.154 1241 762.1825 762.2013@5.1181664 6103 4582 6871 5142 10119 14787 762.2013 762.2039@5.116 8917 762.2039 762.2143@5.1208334 8473 9845 9486 4723 2638 6525 762.2143 762.2185@5.119111 8292 10930 4696 9296 9621 10084 10291 9089 7584 762.2185 762.2435@5.123667 8342 11597 11538 762.2435 762.2465@1.164 2507 762.2465 762.2628@5.1281667 3735 1116 6469 11389 10253 6715 762.2628 762.2772@5.124833 1955 6565 1935 5365 4356 16419 762.2772 762.2823@5.123667 2982 10344 8081 762.2823 762.2901@5.1261253 6107 6484 1792 9757 2223 1666 3787 5939 762.2901 762.3105@5.1158566 14247 14044 4854 10781 8495 2965 12348 762.3105 762.3283@5.1215715 9970 4423 3752 3708 12935 6086 8546 762.3283 762.3425@5.1198573 6902 7570 2320 4265 13631 12817 16671 762.3425 762.3558@5.12 3844 762.3558 762.3603@5.1175 4540 3198 4411 5295 2268 6569 10622 3380 762.3603 762.3749@5.1248746 3362 1322 4599 6043 6892 6655 8036 3999 762.3749 762.3903@1.158 3112 762.3903 762.3931@5.126667 7534 6283 4304 8485 4288 1867 762.3931 762.3974@5.113 8525 762.3974 762.4045@5.123571 10903 2446 2447 8667 16735 8001 2193 762.4045 762.4197@5.119 7756 3678 762.4197 762.4229@5.126 4199 10820 3860 2971 6190 1165 762.4229 762.4393@5.125 3571 6412 3655 762.4393 762.4546@5.15 1041 762.4546 762.5846@5.107 17059 762.5846 762.7829@5.12775 2583 3920 2194 7502 762.7829 762.7897@5.118 5118 762.7897 762.8129@5.1248746 4676 2329 3049 3869 2517 2143 7585 2593 762.8129 762.8189@5.1179996 1775 7712 6303 8308 2127 5535 4212 4619 2427 762.8189 762.837@5.1184287 2612 3398 3650 5507 2659 4089 4817 762.837 762.8411@5.1186 2403 2687 21324 3539 6434 3465 3208 15640 8886 15105 762.8411 762.8598@5.118 5096 762.8598 762.8846@5.1195 2369 3776 762.8846 762.9061@5.1202855 2133 2845 4778 6823 2284 4123 6758 762.9061 762.9201@5.1233335 3542 2185 2246 762.9201 762.9319@5.1218753 7900 4369 4020 4491 1483 4857 3144 2040 762.9319 762.9468@5.1155 4842 1640 6161 3882 762.9468 762.9573@5.120889 3304 5192 4366 2522 3746 6942 1985 9060 2742 762.9573 762.9766@5.1223335 4209 2666 5328 762.9766 762.9886@5.1222 2820 8315 10735 4377 5845 762.9886 763.0008@5.120125 6129 5229 6631 1168 5049 4703 6000 11120 763.0008 763.012@5.108 2316 763.012 763.026@5.1225996 5881 8253 3869 107985 17686 763.026 763.0392@5.116572 8684 4934 6357 5587 6658 10208 7105 763.0392 763.0586@5.126 9037 2111 3114 3238 763.0586 763.0608@5.1141667 3726 4291 2279 2567 2934 1578 763.0608 763.077@5.1224284 5168 1587 7262 5121 5363 3262 4553 763.077 763.0981@5.1150002 9337 2360 2547 4519 1937 763.0981 763.1058@5.1210003 5408 3573 763.1058 763.1223@5.1182 4452 4307 1511 2806 6755 763.1223 763.1415@5.125 1482 2711 6893 6267 2692 2784 4319 3113 763.1415 763.1485@5.1193333 3119 1762 4208 763.1485 763.1665@5.1145 3686 3570 5489 3608 763.1665 763.1787@5.1162004 9454 5488 6050 3434 13684 763.1787 763.1977@5.1248336 5210 3334 1841 6737 3629 4566 763.1977 763.2031@5.109 2582 4301 763.2031 763.2135@5.1187143 3954 6411 5017 4727 3433 6038 8618 763.2135 763.2281@5.1200004 9692 4709 3578 763.2281 763.2522@5.123 1002 8176 1267 4716 2230 5341 2678 763.2522 763.2601@5.114 4550 2911 763.2601 763.274@5.1185 3244 6559 8934 4376 5470 4420 6324 6469 763.274 763.2901@5.119143 4777 3487 4373 7262 4715 4942 9540 763.2901 763.3139@5.115333 7024 5155 4194 4885 4312 4105 1733 3626 1819 763.3139 763.3354@5.1235 11611 4841 763.3354 763.3467@5.115166 6105 4470 1063 5877 4821 4448 763.3467 763.3595@5.1192 1068 4515 1888 5521 1740 763.3595 763.3741@5.113 1481 763.3741 763.3849@5.1125 2637 2600 763.3849 763.3957@5.131 2348 763.3957 763.4071@5.117 3692 763.4071 763.4159@5.118 1083 3723 763.4159 763.4268@5.115333 1761 1980 1397 763.4268 763.4419@5.13 1193 3569 763.4419 763.5133@1.2022858 6703 20085 20839 4402 9673 4815 5261 5389 4420 4784 6711 7139 8152 8275 763.5133 GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 24749 25493 31172 31209 13060 12865 12346 31416 10494 27607 30163 26032 12924 23592 17785 23806 14343 13139 37765 20923 17181 17418 58355 56818 31975 31718 12585 12482 26794 31569 18551 18754 7623 7543 28987 22891 41756 44155 20397 20599 30346 30627 29432 29466 29864 30357 50503 48650 52862 23679 17412 14574 34392 32445 51908 24335 44299 41350 36984 33422 34085 38996 51309 55346 22378 18496 18525 17788 26887 14814 12590 12362 14061 14302 55104 15343 53515 17274 17170 38654 26923 37069 29645 28504 38485 38490 37170 51881 27738 10256 LMGP02010095 763.5218 763.556@5.0390005 288584 57972 54738 14341 3866 763.556 763.558@5.0032873 9462 8934 5005 7113 4437 4461 5440 4788 10538 11023 5738 5062 5087 5199 3112 3543 35012 37051 5484 6134 6765 8376 37417 23867 7207 7435 2894 3079 4639 4651 17687 17040 3163 4881 5519 28859 24894 14699 9233 6376 5887 28111 28129 2639 2657 5490 6464 8030 8493 8611 9299 16713 14798 21913 21668 4720 4970 22989 21559 7603 8126 4757 4273 3348 3339 4631 4154 4151 12339 11653 8208 8520 8689 3855 3782 6448 7857 6803 6910 3684 763.558 763.5822@5.115333 3969 4047 16184 763.5822 763.7214@5.137 1093 763.7214 763.7368@5.1169996 3382 3907 763.7368 763.7484@5.1219997 3676 3269 763.7484 763.7619@5.1186247 1742 1838 3738 1765 3566 3613 1797 3537 763.7619 763.7712@5.113 4044 2272 763.7712 763.7862@5.115111 2933 3766 1418 6167 1936 2441 2721 4618 2870 763.7862 763.803@5.1143336 5407 4774 1901 763.803 763.8194@5.1195 4665 5173 1628 9057 763.8194 763.8362@5.1196003 4777 1752 5137 5295 4284 763.8362 763.8515@5.1126666 2376 3752 7307 763.8515 763.866@5.1215 5446 3242 763.866 763.8841@5.1181664 1808 5066 1965 3407 2872 3485 763.8841 763.9005@5.1184287 6027 4882 4290 4379 2386 2133 10622 763.9005 763.911@5.118 2357 763.911 763.9227@5.1233335 3243 3579 2199 5143 3109 5390 763.9227 763.943@5.122166 1331 3248 2873 3036 3309 7123 763.943 763.9486@5.120333 1217 3754 2109 763.9486 763.9591@5.118 1661 1064 3721 763.9591 763.9718@6.524 1835 1702 1702 1355 1895 1930 3330 3079 763.9718 763.9773@5.119 1499 763.9773 763.9972@5.1219997 2363 2747 763.9972 763.9989@5.1210003 3050 3079 763.9989 764.0071@5.1136003 4254 2133 7090 2921 3295 764.0071 764.0251@5.1215 3840 5587 1549 7119 5167 6064 764.0251 764.0495@5.11625 2383 5405 2451 2969 764.0495 764.0664@5.1225 3491 2123 1783 2056 764.0664 764.0861@5.1132 3213 1198 2667 2476 5299 764.0861 764.1064@5.1225834 3109 3721 3915 2687 3629 1191 4162 1275 3537 2351 4033 2522 764.1064 764.1302@5.12 2038 764.1302 764.1561@5.116667 1735 1479 3287 3027 2213 7832 764.1561 764.1687@5.113 4256 764.1687 764.1822@5.1115 3708 1383 764.1822 764.2132@5.12225 4913 2628 2567 4688 764.2132 764.225@5.1235 3480 3936 764.225 764.2489@5.12 3448 3869 764.2489 764.2631@5.117 4338 1634 2747 764.2631 764.2819@5.101 1820 764.2819 764.2933@5.121 2966 764.2933 764.3098@5.125 2194 2005 764.3098 764.3408@5.12175 2127 3187 4499 5410 764.3408 764.3552@5.11 1683 764.3552 764.3703@5.117 1787 2046 1753 5946 764.3703 764.4075@5.126 2224 764.4075 764.4214@5.11425 2068 1853 2059 2280 764.4214 764.4563@0.7245 3571 4029 764.4563 764.4734@0.991 7264 7622 764.4734 764.4747@6.521 1355 1305 1209 1561 1646 2544 2258 764.4747 764.5641@5.100333 3194 4947 4810 764.5641 Loroxanthin ester/ Loroxanthin dodecenoate 3234 3714 4685 4627 5250 3416 5981 3759 6737 6750 6076 3765 4113 4594 3488 5122 4827 4459 4249 4205 4698 3220 4433 3894 5123 4735 5479 5622 3840 4498 4701 4736 4723 5066 4798 4439 4275 4099 5576 5482 5020 6027 8009 LMPR01070157 764.5743 764.5819@5.120222 2363 5184 3271 6529 3973 5426 5511 4504 4399 3256 3998 3877 3201 2570 4904 4681 4205 8599 764.5819 764.689@5.113 1539 764.689 764.7248@5.124 2154 764.7248 764.7377@5.123 3671 764.7377 764.7528@5.122667 1511 1873 5000 764.7528 764.77@5.118 3363 764.77 764.7842@5.122 4417 764.7842 764.7897@5.1195 3123 2263 764.7897 764.8119@5.1165 4676 3376 764.8119 764.8442@5.1190004 2604 5007 764.8442 764.8739@5.131 1748 764.8739 764.8972@5.122 2278 764.8972 764.9377@5.123 1622 3237 764.9377 764.9659@5.117 2362 764.9659 764.9886@6.507054 12043 12328 12141 12719 15222 15383 11148 11465 14209 14164 17888 17858 19066 18966 10442 9884 13938 13348 24946 24102 8009 8112 3290 3041 20454 20620 10916 11073 12823 13273 12066 11851 14925 14213 15232 15668 9336 8829 25514 24321 12648 13388 21912 21646 15379 15441 15557 16444 15613 14474 12054 12432 11668 11501 6840 7419 11153 11926 19809 19439 22916 22406 17971 17626 12897 13094 19139 20356 22315 22702 16408 17042 8181 8688 12497 11947 13559 12798 23159 22241 15124 14979 13542 14137 13037 19701 19034 24446 24419 7819 7725 764.9886 765.0209@5.1155 1974 18743 765.0209 765.0366@5.1295 7162 3099 765.0366 765.0564@5.122 6023 765.0564 765.1005@5.118 1891 765.1005 765.1462@5.116 2813 765.1462 765.161@5.112 3680 765.161 765.2045@5.112 1832 765.2045 765.2486@5.1166663 1934 2387 2287 765.2486 765.2657@5.113 1592 765.2657 765.2898@5.112 3721 765.2898 765.3096@5.118 3471 765.3096 765.3218@5.113 7894 765.3218 765.4903@6.5068903 8710 8489 9105 8792 9976 10066 7988 7365 9886 9899 12357 12309 12581 13187 6973 6871 9224 9940 16797 16125 5652 5566 2110 1916 13602 13537 8009 7440 9145 9072 7632 7878 10014 9722 11378 10730 5947 5832 16340 16416 8936 8901 14190 14624 10564 11077 10960 11183 10219 10795 8623 8135 7758 7933 4894 5034 7766 7732 13542 13445 15018 15050 11643 12133 8866 8839 13371 13726 15478 15210 11355 11778 6222 5897 8154 8799 9179 9333 14988 15444 10306 10246 10012 8998 8484 13388 13367 16352 16348 5433 5765 765.4903 765.5065@5.211259 7838 8004 3766 47217 46353 18598 17461 11297 11086 5547 4978 93598 88371 198307 204256 10136 10411 49353 49188 119705 120285 138879 140737 23875 23909 30462 31408 11489 11921 21970 24497 57262 57705 69137 69452 62511 66174 12823 13038 144150 142593 7818 9579 14897 14282 82521 83227 9614 9010 8549 10115 11222 9312 12387 11956 36844 36757 4696 5044 4509 10232 9964 15292 16228 10344 9809 765.5065 765.5072@5.275 2663 765.5072 765.5129@1.9925001 1902 2873 765.5129 765.5175@5.2105 4509 5081 765.5175 765.5252@2.302 3112 5503 41239 18645 3264 6246 3840 5189 765.5252 765.5252@2.994 3269 765.5252 765.5266@1.731 22930 2906 765.5266 765.528@1.5056666 2680 15323 16069 9924 9062 7358 765.528 765.5285@1.2004 4334 7993 3987 2957 4076 4283 5966 3552 3470 5771 765.5285 765.5285@1.8165 25613 14296 27034 1610 11928 49880 4446 7291 12778 16822 3407 6214 21333 34436 5430 19562 14140 5272 6478 9667 26343 25454 15059 9225 12296 11102 10432 7910 13104 19086 765.5285 765.5288@2.965 5873 765.5288 GPEtn(18:1(11Z)/18:1(9Z))[U] 40017 65272 56463 58646 44813 95158 15123 42187 89868 55085 30195 10846 8121 53885 16685 10574 63624 21841 500041 495655 68794 47924 110526 112637 71275 65851 212088 191027 16986 10336 16612 74618 114846 99141 4145 26647 87530 104497 43219 38339 70021 115191 36690 8600 41762 89419 141104 130546 37304 65640 41999 5072 16468 47671 74197 5231 38853 189203 197966 13018 38627 67147 98779 36590 33276 61266 50371 25390 24621 56831 58946 16610 57755 28139 52786 12101 28626 15262 79802 14616 11278 22784 36195 33980 32663 34003 36598 13622 18711 45913 LMGP02010034 765.5292 765.5296@2.324 2554 765.5296 GPEtn(18:1(11Z)/18:1(9Z))[U] + 2.416716 15686 13178 11888 7958 20296 19862 12012 10896 24222 12636 13099 13885 10394 13170 9547 96564 110608 18844 22588 26561 30317 15114 8825 39703 47812 16658 14879 24224 26925 24572 22206 7635 10778 29782 27257 5115 19621 19564 36275 32868 14355 15556 8535 8973 16542 13862 7963 7079 46221 49750 9428 19333 24506 7945 8015 9261 8428 10650 14671 6031 6867 12256 10944 10803 12680 18258 4837 7978 7504 13818 12275 9793 8360 LMGP02010034 765.5298 765.5359@4.4373336 18285 41726 4246 2994 43190 4757 10898 11459 3711 33371 10721 73162 2665 15423 24402 7468 9348 17129 765.5359 765.5366@4.43 2902 765.5366 765.5411@5.1423335 19683 16857 10250 15378 15082 7940 9777 3268 2815 3595 12447 7284 765.5411 765.5501@1.684 3626 765.5501 765.5584@5.1301794 24317 33983 29743 10899 7556 17567 2735 9134 9020 36912 15900 4467 27760 42457 30589 14197 18908 31934 2877 12116 32996 34070 18041 22042 14449 27410 20976 13233 21420 28490 6447 17275 14054 5384 28998 7909 19434 7614 4464 765.5584 765.5662@5.097 2881 765.5662 765.5666@5.059238 18195 9995 4787 12535 32596 4520 22300 17600 4869 48092 24698 58724 23932 13548 37995 38532 35146 9438 14007 30298 38784 765.5666 765.5741@4.996196 118506 145275 148770 115732 182907 183202 184299 160509 111099 112071 323071 328848 132202 121313 74209 86312 114123 113032 580376 275869 142098 148701 101303 90043 245350 263843 193472 169713 224865 220028 283843 326236 211931 187701 159805 167643 108862 119067 168282 165174 125200 136278 127970 129665 161889 165367 238205 243031 446030 160378 120641 120739 126290 125947 217042 104099 222587 148500 224697 194871 180930 205196 187759 177695 474814 521529 214441 189263 284034 286663 356351 345453 392384 169253 124936 115979 198659 192721 428078 370995 335989 235493 246655 240654 122854 123307 279536 240677 357557 339677 198867 180208 765.5741 765.7115@5.119 3051 765.7115 765.8659@5.119 2856 765.8659 765.8806@5.121 2890 765.8806 765.9146@4.9940004 1832 1854 765.9146 765.9853@4.3255997 6569 7311 5718 5814 3438 765.9853 765.988@5.124 3002 765.988 766.0075@5.2081785 4035 4449 31749 32678 12409 12321 7833 7006 62226 61752 142038 6743 6931 6644 33144 33466 80360 85958 99508 99200 16021 16253 20655 20879 7665 7019 15604 15658 42124 42033 47438 45946 44792 45653 8082 8208 4653 97705 4782 4305 9975 9396 62371 61408 6294 6373 6051 6108 3003 6116 7463 8785 7562 26302 25075 2758 7780 6335 13951 9828 6841 6538 766.0075 766.0085@5.1333337 3198 6091 140871 4765 5013 4781 3607 99757 4661 3355 3404 3119 766.0085 766.0319@5.153 2378 766.0319 766.0719@5.106 4753 766.0719 766.1288@0.844 5424 766.1288 766.2474@5.111 2392 6449 766.2474 766.273@5.113 2092 766.273 766.2881@5.121 2919 766.2881 766.3145@5.117 3737 766.3145 766.4797@1.1145 3456 3245 766.4797 766.4888@4.3245 4865 5073 4100 3302 766.4888 766.4927@1.1962631 48246 46891 2402 2451 6195 6281 26615 26696 2815 14006 13580 9358 8705 8302 8263 3030 2775 20858 21387 766.4927 766.5065@1.199 3473 3378 3965 4895 5530 3434 3731 2262 2403 766.5065 766.5326@2.434 4716 766.5326 766.5327@1.8673571 6063 9688 10167 2347 14872 11353 10173 10054 8821 12689 7750 19679 13476 9233 766.5327 766.5329@1.783059 33942 9328 13317 5491 12776 2781 25063 9537 16690 12225 14027 21790 9338 12260 5305 10082 4195 766.5329 766.5391@4.441667 4669 3600 6165 6013 5126 4191 5189 3410 3224 3135 4931 7889 766.5391 766.5493@5.1456466 11907 10278 13352 11602 1718 6269 5576 9620 7332 5155 5274 8511 7401 19194 12708 12137 7709 766.5493 766.5506@1.2014999 9796 10013 3234 3449 4709 4462 766.5506 766.5739@5.0482 7639 15488 3652 6517 5758 766.5739 766.5756@1.2035 3077 3109 766.5756 766.8584@5.117 2481 766.8584 766.9369@5.003 1925 766.9369 767.0337@5.159 4790 767.0337 767.0409@5.1447296 6289 6805 12693 9380 6626 9835 9831 10665 7549 7190 6221 6493 6470 4500 7165 4928 2355 2413 3826 8276 8924 8738 6253 5126 7302 6103 6202 3461 5619 5857 7863 3242 3343 7622 2353 11236 10084 767.0409 767.1886@5.116 2649 767.1886 767.2302@5.117 2838 767.2302 767.4465@1.123 3931 3749 767.4465 767.4808@1.198 7182 7131 767.4808 767.5344@1.877 7316 767.5344 767.5349@1.8078574 8351 4743 6672 10596 11512 4228 7380 767.5349 767.5359@2.404 13465 767.5359 767.5471@5.1635 12768 7667 767.5471 GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] 18309 18484 19207 19376 13606 12669 31872 32157 25303 20116 19992 18956 19313 21893 22295 15559 17202 26426 19045 19218 5560 4794 25724 28648 29751 28912 13892 14642 25466 26445 15949 15901 15362 15100 18375 22361 28259 29089 18378 16821 30185 30326 13676 13930 21474 21470 39753 38673 15254 15625 31759 29383 43147 21979 21962 22812 23811 22608 26974 41363 41610 21639 22675 13614 11793 29222 17738 12912 12627 11611 11589 14569 14687 32769 33114 32183 26374 25633 27628 28081 47918 46080 32918 37868 LMGP02010027 767.5523 767.5608@5.150222 4270 10574 6364 4277 9489 5328 8631 8221 3809 767.5608 767.5624@5.1466 6578 13969 5481 4681 10492 767.5624 767.5795@5.102773 16229 32880 5960 11671 15110 12784 23937 13959 36010 10535 4743 12896 15616 18444 10417 13677 18372 31856 300914 10374 8100 11266 767.5795 767.5887@5.043034 252758 216617 327380 192819 323035 246898 424275 321380 246246 199525 369855 350283 200542 198531 154621 166941 145200 126667 378382 230256 245976 119045 127606 307627 276742 189482 212021 241696 266260 345623 370907 332456 330578 308389 340310 187737 179189 250648 323191 274921 266015 220655 241794 300535 21823 296395 356818 321206 234269 202001 209422 213571 98904 193462 217697 30078 519819 284450 381548 222727 224077 583930 600476 284786 297876 460678 481673 382726 475393 230834 229637 182901 246101 212125 264813 571596 440794 391900 341533 214353 173809 551050 543720 352115 329921 239712 222229 767.5887 767.5893@5.0445 106734 546530 767.5893 767.7928@5.124 2434 767.7928 767.9221@5.031 2869 767.9221 767.9827@5.116 1571 767.9827 767.9866@5.2103157 5656 5967 13617 13449 3551 7805 7893 9870 9835 4269 4800 4869 4620 4109 4317 9466 9984 6245 5825 767.9866 768.0168@5.048 4574 768.0168 768.0291@5.046 1259 3202 768.0291 768.0492@5.0985003 2445 14432 768.0492 768.0646@5.044 1763 768.0646 768.1388@5.042 3303 768.1388 768.1995@5.036 3252 768.1995 768.2001@3.481 5270 4788 768.2001 768.2385@5.035 1792 768.2385 768.3173@5.037 5955 768.3173 768.4881@5.211077 3648 3406 9140 9347 4324 7123 6312 5896 2462 8740 6176 2997 3821 768.4881 768.5489@4.9628787 2124 2876 3500 3381 4207 3014 3190 3999 1770 3077 4310 1925 2900 3012 1579 4049 3606 3067 2688 2971 3209 3804 4614 1950 1876 2070 3673 1690 2358 2212 5857 3787 4531 768.5489 768.5538@4.944 4808 768.5538 768.5547@4.4228 7178 11580 9700 6356 9276 768.5547 768.5664@5.0794163 5963 5834 3901 5398 3996 10011 4372 4969 5734 3509 6876 3122 768.5664 768.5922@5.054 224481 768.5922 768.8838@5.079 1512 768.8838 769.0239@5.0375 4969 2948 769.0239 769.0365@5.006 4465 3567 769.0365 769.0431@5.019 5113 1868 4475 3293 5183 4582 6130 3461 4598 3333 769.0431 769.0471@4.9951663 2712 2876 2875 4686 2773 3150 2760 2823 2993 3179 2859 2510 3335 3081 3211 2868 3572 3436 2918 2832 7312 2922 3231 2902 3184 3597 3164 7759 2946 5012 7095 3428 5848 7686 9885 2897 769.0471 769.0607@5.1169996 6999 6978 769.0607 769.2791@5.082 3544 2234 769.2791 769.4996@1.1055 6885 7370 769.4996 769.5483@5.1654997 1441 4090 769.5483 769.5656@5.152 1463 5110 8135 6577 769.5656 769.5797@5.1083384 22284 88593 26219 21570 23219 46370 42192 16570 24615 68045 21356 19997 3632 13566 27838 27357 10722 15327 210571 114384 28296 22731 28387 20880 33795 36546 40291 34368 17630 20655 14515 25502 20959 25164 144488 7871 16108 32796 19504 34009 21476 36795 33255 32902 36044 11393 21871 12828 10455 36981 24543 15318 26755 26137 11439 53376 128779 36512 8196 769.5797 769.5897@5.062 94282 769.5897 769.5912@5.047031 18890 73433 10925 30956 15208 14821 20589 37078 23938 36104 35534 23510 27354 25658 44155 17365 13842 21105 32695 23663 64661 22631 38583 29438 40312 19154 50200 23477 63515 88924 114201 769.5912 769.5974@5.076392 82897 85170 84739 58283 294808 89606 184055 106613 257010 92437 70695 24130 255577 327174 40457 60342 262777 258274 67321 40565 57063 155306 94286 92171 148747 194198 257843 408635 83196 68443 188264 407386 150430 73480 70458 60632 33869 34268 96545 79209 87223 91016 87716 120834 115756 59978 225992 124322 92430 263007 122349 769.5974 769.67@1.0506667 1916 5001 5337 769.67 769.8474@5.463783 12291 12346 12510 13803 14243 13650 14451 14988 13626 14069 13021 12957 13744 13307 13665 14210 13028 13178 13930 13602 13126 12647 14036 14282 15307 14256 14244 14224 14822 15007 12401 12012 13138 13012 14853 15299 14927 14753 14901 14891 12917 13376 12277 12321 13543 13574 13938 13009 14403 14631 14657 14535 13396 13339 14390 14045 13928 14199 14438 14255 15418 14593 13776 13399 17091 16266 13391 13913 12477 13132 14030 13494 14380 14824 13506 13941 13585 14141 14858 13137 12856 15058 14457 14731 14307 14015 14890 14978 15067 15238 12530 12341 769.8474 770.0625@5.121 7082 770.0625 770.1646@5.09 26637 770.1646 770.2283@5.068 9531 770.2283 770.2669@5.12 1634 770.2669 770.4632@5.2105 3157 2848 770.4632 770.4742@1.962 2920 770.4742 770.5806@5.1138334 15426 17778 3258 6439 4249 15751 770.5806 770.5931@5.0845003 21934 32554 770.5931 770.6031@5.063394 24235 28709 43977 30130 9390 16356 10718 14326 14425 10205 7891 27290 5693 11731 21440 17471 15210 14521 4779 32284 35950 21716 43173 21373 24995 18924 25063 4451 6093 44316 39582 59999 41524 770.6031 770.6082@5.023 5236 770.6082 770.6353@5.9645824 8582 7680 10474 10153 11235 9462 4485 13089 8488 7451 6298 7483 12724 7402 12738 12280 3615 7655 9529 9853 13099 10640 18191 17013 770.6353 770.6376@5.963667 12946 9540 9262 770.6376 770.8066@5.114 2434 770.8066 770.8924@5.111 4290 770.8924 770.956@5.1435003 12734 3035 770.956 771.0252@5.047 1634 771.0252 771.1658@5.103 5438 771.1658 771.2708@0.96643406 20466 20809 25289 24376 21969 21368 15639 15706 16698 16258 19267 19942 17755 15860 16623 16409 17047 17196 20058 19460 14856 14437 15363 15429 16365 15566 9735 9086 11167 4639 12459 14159 20960 20086 15160 15470 12760 12883 11297 10517 9842 9595 14677 15165 16087 16704 6655 16941 17269 17853 9923 9773 12940 13289 19602 17011 14628 14334 11176 11485 17555 17758 10458 11058 12232 12321 5513 9060 9556 16961 7300 14966 15144 16075 15780 12330 11503 12591 14676 14950 18401 18508 18899 14712 14442 4998 11636 17051 16033 13542 12817 771.2708 771.5047@1.1164999 6626 6386 4810 5147 10378 10709 5849 6333 771.5047 771.5266@4.3619995 11726 18787 12077 46488 20658 27046 19156 26325 22142 12316 771.5266 771.5505@5.287667 8227 8351 6173 771.5505 771.5769@5.1643333 6100 3759 4694 771.5769 771.5894@5.1027536 143250 155873 200088 193665 206964 46830 222602 203696 149139 187340 176025 233035 270012 156106 71794 36738 107757 93889 182246 175472 107606 106888 148590 102014 103879 100916 143627 253159 225727 182901 185062 48961 37936 82502 246886 259942 211550 163841 214868 213607 143932 90565 202546 199063 103386 137842 131767 126806 62447 109374 198104 293947 281375 176925 136509 104756 152890 214994 60703 129508 79927 151999 64836 84181 297577 136624 228741 177542 195677 101129 106561 172055 168825 237551 188056 42188 221126 134349 220948 347447 140124 236228 191089 54577 199853 771.5894 771.5909@5.0832 40977 41056 53861 56127 26771 11573 7562 22804 47364 53424 47853 52138 40080 32685 38097 50550 90152 179157 79021 66691 87238 50412 48446 61169 99394 771.5909 771.6017@5.0625 19016 11895 10300 10640 771.6017 771.6116@1.33 7863 7305 7343 771.6116 771.9047@5.106 4559 5824 771.9047 771.9253@5.076 7540 771.9253 772.0448@5.113 4014 772.0448 772.0613@5.111 3928 772.0613 772.0784@5.111 4329 772.0784 772.1129@5.077 7442 772.1129 772.272@0.96260005 8229 11947 3747 12554 8343 772.272 772.3355@5.084 12832 772.3355 772.5153@5.183 9547 10477 10574 772.5153 772.521@5.1819234 5310 5269 14183 13655 9656 9045 10262 3974 5140 3251 3010 5378 5104 772.521 772.5661@5.162 3546 772.5661 772.5829@5.1468 3596 2813 2299 5745 100249 772.5829 772.5885@5.1046834 105791 161675 165322 2639 50413 26506 51826 60747 69501 72562 61601 118628 91566 86101 135123 144988 142639 124477 81937 82379 82850 84581 27504 96764 76015 15493 104225 35502 99281 87254 8783 35878 92878 11087 4365 88340 20937 62086 187962 74024 85844 772.5885 772.5894@5.09225 9870 85697 81146 108046 772.5894 772.6083@5.0726666 12836 6507 9998 772.6083 772.622@5.028 2139 772.622 772.6519@5.962667 4799 4726 3761 4166 4601 7353 6503 3978 5517 4981 7409 5286 772.6519 772.8123@5.0965 2950 1999 772.8123 773.0191@5.1810713 3524 3102 9692 10429 5775 5893 6842 7372 2711 2908 8273 7219 4363 3531 773.0191 773.0472@5.1250668 7246 7560 4370 8377 6561 7630 6309 6798 6918 8332 7278 7251 5188 6442 9159 773.0472 773.3305@5.083 1975 773.3305 1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine 12402 14883 9370 9987 9907 14408 19400 17281 9389 19851 19580 6620 12655 11128 11240 15044 17243 5796 10270 8894 56385 50224 18584 15579 6732 19217 13065 12880 15715 18046 12887 10241 11725 12538 12300 15716 15918 3673 8660 32799 32903 13518 21576 15198 12124 9250 12470 10326 11861 5668 19316 19592 22870 13881 17312 16968 14327 45285 11328 14278 19517 42389 20795 14664 14137 8831 10124 6913 28430 23418 19412 14925 15072 11248 22639 23190 18623 10794 773.542 773.5628@5.39397 7357 9590 9453 11648 5639 8688 5100 8655 6016 6550 15031 7440 8079 8061 6545 14170 6378 6193 11211 4917 12282 6318 7637 13661 5177 7723 12767 10359 9549 5340 8830 5366 5150 4509 5169 14064 7523 10440 10906 9929 11585 8652 5283 15388 18217 7295 8949 6305 6441 10888 6194 6949 8270 10155 6797 14684 4889 4357 11776 5121 15796 15852 22716 21987 773.5628 773.5636@5.2931433 12014 10453 30084 31768 8291 8312 8491 773.5636 773.5857@5.1573334 2870 3425 1885 773.5857 773.5949@5.098 100141 17066 2329 56727 15835 11696 62228 62123 63288 60044 773.5949 774.0577@5.122 5553 774.0577 774.0823@5.043 3089 774.0823 774.2625@0.966 3521 774.2625 774.27@0.9684444 4525 4075 5471 4815 5334 4328 3670 4543 4118 2962 2151 2304 3863 4054 4129 4454 3650 3638 774.27 774.4854@7.3515 5012 5472 774.4854 774.5917@5.13 10478 21398 774.5917 774.6031@5.0946317 9428 8564 18623 22058 17268 22025 22822 14291 16751 17806 8289 28332 13339 13497 2359 4269 10293 22592 20102 774.6031 774.9866@7.353 2995 3098 774.9866 775.5397@5.0730004 1526 1555 1293 3078 12731 9799 3585 3434 2849 2297 1375 20659 9325 46921 7778 1445 1819 775.5397 775.5534@5.076 5657 775.5534 775.5558@4.362571 8537 7365 8521 18129 17311 16681 15920 4740 14967 13961 10107 21661 8567 17762 775.5558 775.5576@5.0926 3602 3922 8379 2117 6023 775.5576 775.5643@2.725 10410 775.5643 775.5646@2.2003334 15381 5721 11688 775.5646 775.5656@2.2593334 6253 11787 10134 775.5656 775.5773@5.1012497 6040 6272 4944 6636 775.5773 775.5783@5.265023 3164 6131 5548 5759 8428 8906 7821 2542 6784 7289 3484 3442 8233 7159 5159 5965 3500 5700 6384 5407 4103 2657 5162 4648 6111 6006 5660 5241 4744 3755 7471 5718 7159 7459 6922 3553 5554 1481 6708 4802 5113 5891 5185 775.5783 775.5919@5.0988336 3880 5223 7711 5514 4673 8788 775.5919 776.1766@0.8585 3381 3925 776.1766 776.546@5.0938616 2751 3183 4872 5926 6205 4503 6036 5938 5236 3599 4192 5807 5285 55590 5164 4608 4187 5810 57775 5147 53681 2430 4374 2793 4159 61093 6720 5823 2756 776.546 776.5552@5.107 5581 4826 5895 3541 4494 776.5552 776.5603@4.3640003 2668 3324 3058 7815 16991 7292 12293 9246 8663 776.5603 776.9874@6.498494 15143 15781 15865 16045 13202 13538 17444 17924 18604 18294 20682 20964 19835 19408 9585 9359 17082 17078 19186 19447 16037 15820 6934 7372 15477 15821 14344 13228 19979 19733 16184 16042 16104 16521 21226 20833 11638 11074 20581 20232 20990 20707 14644 14573 14822 14643 20182 19670 17423 17915 16708 16158 14317 14497 9870 9829 14355 14928 16823 16723 18348 19033 19220 20703 16876 17867 19693 18137 20825 20310 19658 19244 11036 11312 18246 18209 20553 19972 23002 21411 16426 17437 16981 14504 13744 20839 20389 21072 21149 14224 12819 776.9874 777.0438@5.118882 6450 26407 7109 5998 7718 7047 9800 6631 24817 5496 7361 8856 7516 5434 8324 6901 8083 777.0438 777.0513@5.118 7053 7222 8206 8336 8417 8354 9668 777.0513 777.059@5.12 4525 777.059 777.4906@6.498297 10546 9963 10769 10827 9315 9328 12134 12461 12529 12616 13672 13145 12969 13211 5988 6136 11386 11609 12844 12742 10802 10707 5031 4884 10733 10204 8822 9405 13334 13766 10544 10856 11386 10015 13686 14019 8104 7893 13705 13449 13937 13738 9525 9821 9561 10025 13999 14004 11845 11629 10987 11276 9627 10170 7218 6467 9927 9699 10782 11051 11963 12491 12564 13763 11135 11320 12494 13211 14190 13141 14006 13411 7972 8141 12181 12848 13200 13476 14630 14834 11387 11677 11355 9688 10002 14391 14010 14861 14923 9171 9004 777.4906 777.5219@1.2084999 9239 8252 777.5219 777.536@5.1169395 41343 51661 40731 47939 39690 63573 64128 5655 35142 43707 6871 47363 45223 23113 50487 35524 40738 3238 60118 53661 43318 45788 62342 51510 5586 5775 4539 50795 49085 39717 57209 66719 68134 777.536 777.5401@5.0703406 10495 14438 204982 13477 10221 218521 8210 13542 34946 16743 16953 17200 8097 46683 7490 121666 287685 20126 35809 4521 27487 25420 4057 7420 41859 11560 14426 11978 13821 329511 4227 5753 70850 24949 37800 51713 4744 13387 8043 19771 20340 428316 8230 378436 20146 22587 23227 4485 33845 47057 5590 9008 11384 38116 34053 26539 32558 12634 19073 7738 6873 331481 339395 306855 11519 3862 49628 43010 45202 58052 4390 53363 275647 290133 283507 15759 9349 7402 34774 19506 219762 19986 19782 4600 3170 777.5401 777.5434@5.047 7054 777.5434 777.5687@5.003 4269 3603 777.5687 777.5702@4.3745003 4952 5329 12222 6834 777.5702 777.8729@5.057 3522 777.8729 778.2217@5.067 4657 778.2217 778.5447@5.0544004 2987 1983 3294 2305 3195 778.5447 778.5974@5.9805 11071 24130 778.5974 779.0436@5.1307282 3262 3312 3622 3371 3597 3762 4256 5142 4274 5017 3215 3453 5800 3542 3702 3688 3887 4504 3283 3155 4830 4523 4128 3871 4910 4777 3404 3587 3989 5273 4200 3934 3263 5844 5679 4905 5180 3821 4294 5356 5821 5204 5482 4803 4793 5137 5737 4254 3328 6032 6206 6480 6653 3741 3413 779.0436 779.5429@1.6724999 35667 40607 11131 12499 779.5429 779.5437@5.414 3997 779.5437 779.544@5.172714 51626 2939 42680 203795 233315 56197 41924 779.544 779.5465@0.9875 5699 5501 779.5465 779.5532@5.1223497 991165 1382202 880912 1044019 1497232 1181880 898814 9618 1084947 1069731 1274842 686101 673820 1019859 1024812 4275 4615 1145313 856372 1317802 1159126 1224352 1053354 1049205 1609210 1377383 1511937 1248502 1158677 1166788 1193123 1114020 1151631 1640297 105071 826976 828231 1578779 1761378 1096504 1109953 1445336 1359523 1214543 778581 1087746 912033 1013274 1011292 1042383 1182112 5788936 1457365 1419063 1480758 1187807 1850528 1209998 1177331 1202204 7573395 1225896 1232332 1756537 1086020 1556652 1119488 1104283 1276649 1140580 1135968 1523504 1379759 900882 1172841 60526 1634313 1856801 1279747 191883 779.5532 779.5552@5.0538483 606791 635344 289826 325884 294627 288708 251939 251684 385411 407718 364505 2591964 228337 3246995 3822742 1188549 437961 675769 4066997 77434 62887 1277826 1234895 307714 267363 344989 345574 521618 515933 558179 220592 201189 320698 3117054 1190618 1149861 2501500 505152 4204364 1058065 1048533 5789480 495649 5097568 1087609 184478 141523 221765 178796 3688223 274458 261203 277044 683013 586494 589521 263304 2682392 127192 125449 2339857 164732 250162 200521 240279 459481 381535 2533580 201552 341920 515365 524246 162025 779.5552 779.5896@4.984613 5238 7497 9387 9575 11875 13247 13500 13725 4685 4082 28080 19858 9012 13454 4184 4775 6309 10550 9519 7747 7769 6041 6331 17358 14743 8334 8818 11643 11423 24419 24440 10365 9277 9630 12506 5105 6263 8685 8602 7021 7337 5292 7518 10434 10615 16321 13875 14257 12993 9326 9042 9096 6537 5362 5356 16557 14641 16012 11722 9269 10325 7762 8094 38437 40042 10103 11045 29029 21849 19420 20028 9429 11004 7052 5454 9581 11122 10028 17587 21196 16658 16386 15074 8562 7886 10876 11987 16990 22040 10896 13701 779.5896 779.6062@5.984 5484 779.6062 779.8746@5.1219473 11350 9260 14187 6218 11017 12756 8430 11373 9711 9749 13061 8858 14188 14345 9731 5947 12683 7668 1936 10457 13938 17411 15923 10562 8749 9589 20739 8781 13574 12489 9273 9126 10669 19267 4321 2039 4245 12988 779.8746 779.8887@5.082686 17407 19760 2083 10376 3761 6468 2215 2393 4287 4575 4080 13949 2780 11054 3761 6750 1621 3270 12473 9441 9079 7639 12945 8094 8849 5329 2953 2228 2321 5421 11274 3319 3633 5365 4027 779.8887 779.8996@5.0702004 8631 2631 11719 1641 7604 779.8996 779.9411@5.0593333 2085 2407 2221 779.9411 779.9643@5.0535 2955 2082 779.9643 779.99@5.061 4283 779.99 780.0089@5.056 2185 780.0089 780.0248@5.05 8264 780.0248 780.0476@5.0676665 3138 1787 3071 2688 86953 3475 780.0476 780.0527@5.125384 76004 77974 72573 72255 86947 84988 92179 91338 78253 75027 92752 92102 84289 83992 54509 55491 84030 83585 103471 82502 72278 72460 40963 41803 80250 101912 75438 76412 94739 94195 82698 82911 97779 97329 91239 92518 88306 86507 93257 43388 79631 88472 79719 79999 100123 101465 96441 100772 90007 92987 83771 78976 65331 66495 75426 76489 80269 76275 97422 99921 96441 97067 98308 98343 85189 88260 97305 95979 97787 95358 100048 99416 55435 89622 90387 93148 93082 91887 53028 108202 97307 100664 98326 81098 78761 2129 100256 83612 50651 73798 76498 780.0527 780.0703@5.048333 5126 1835 3236 780.0703 780.0796@5.0555 2410 3057 780.0796 780.0975@5.052 1438 780.0975 780.1166@5.0559998 2716 1434 780.1166 780.1304@5.0545 2674 3595 780.1304 780.15@5.054333 2931 1836 4065 3620 2426 1960 780.15 780.1597@5.052 3854 780.1597 780.1929@5.075 2527 3875 780.1929 780.2328@5.053 1339 1706 780.2328 780.2561@5.157 1070 780.2561 780.273@5.0955 2400 6251 7428 8296 780.273 780.2813@5.1110587 4945 2929 6579 1478 3823 6840 3950 3350 2107 14505 1642 1742 3426 10137 5138 2845 3090 780.2813 780.2942@5.1164 2039 2777 2032 3507 9125 9735 4936 2813 3876 4392 780.2942 780.3218@5.097 1577 780.3218 780.3697@5.119 2897 780.3697 780.3873@5.065 1820 780.3873 780.4634@1.029 4567 4552 780.4634 780.5072@1.1256001 7585 7321 8715 7626 8506 780.5072 780.5487@1.2035 6519 5689 780.5487 780.558@5.0634003 89300 95599 52708 125403 145281 186260 146455 2465 147525 151572 136913 122523 127140 126239 95319 780.558 780.6184@5.9772635 6781 8852 5601 5880 6343 13172 8089 6905 16596 17330 6876 7209 12927 6980 9878 33985 23470 20351 6096 780.6184 780.8675@5.136 5446 780.8675 780.8773@5.1035714 3209 2337 4619 4044 7464 9326 3653 780.8773 780.8892@5.099632 3269 2219 4884 8666 2984 1684 3309 6361 6468 4371 1180 6638 12178 7050 5093 3093 3479 2901 1334 780.8892 780.8973@5.0542 4931 3758 4487 5076 3904 780.8973 780.9246@5.063 2415 3926 1922 780.9246 780.9424@5.0556664 2109 1791 2504 780.9424 780.9642@5.053 3025 780.9642 780.9902@5.0515 2953 1405 780.9902 781.0036@5.0559998 3106 3167 781.0036 781.0535@5.12 53376 60351 781.0535 781.0598@5.0632725 5024 4420 5125 5969 59583 9680 2589 48730 5688 1626 5872 781.0598 781.065@5.061 4789 781.065 781.0792@5.057 1625 781.0792 781.1001@5.056 1224 781.1001 781.124@5.0567503 1659 2546 2488 1967 781.124 781.1348@5.052 2127 781.1348 781.1415@5.0545 1607 2363 781.1415 781.1722@5.057 3671 781.1722 781.183@5.069 1747 781.183 781.1989@5.089 1431 781.1989 781.2636@5.139 1549 781.2636 781.284@5.1272497 3443 4558 5498 4030 781.284 781.2895@5.1318336 2267 2927 4385 2151 4820 1407 781.2895 781.3112@5.127833 5414 2923 5460 4931 2398 2898 781.3112 781.3241@5.1403337 2830 1521 1375 781.3241 781.3448@5.124 2297 781.3448 781.3582@5.109 1810 781.3582 781.3772@5.135 1914 781.3772 781.5692@5.098572 750724 1675625 641435 807749 722799 918329 822537 781.5692 781.5718@5.047628 5131046 667944 7594119 3821739 6535284 7515963 6030515 6128922 5484429 5462444 5146917 5914140 4823821 2577592 3817321 1.03E+07 1.14E+07 8832217 4769344 2033303 2029194 6476038 6680027 1726238 4198625 6483657 6496604 4684604 4250776 5552560 1091497 2459181 5022005 4168782 7736751 7719110 2552594 6259988 2972006 5179690 9696240 3586162 6092026 3641464 4001347 3179988 4257609 4157963 4911513 3518119 1065929 6803930 7455057 7486976 6838578 6119849 5269587 6054968 1.11E+07 1.15E+07 1504289 4419845 4751058 4708602 6213841 6105833 1.13E+07 1795712 1.26E+07 5726511 6055566 5504771 6779604 6165334 1.10E+07 1.08E+07 3863728 3838638 781.5718 781.5723@5.045417 4509571 2550370 817998 1.11E+07 2764490 1751779 2357900 2099 3036416 1548976 1145993 8018488 781.5723 781.5819@4.999 2594 781.5819 781.6215@5.9778 2065 4525 2077 2416 3213 781.6215 781.8088@5.154 1000 781.8088 781.8965@5.1194706 111165 13717 5130 3375 9293 3944 1507 3157 7815 6531 4563 4939 4625 5051 2735 2566 5933 781.8965 781.9105@5.043 50005 781.9105 781.9118@5.0966005 105498 2501 60329 2917 2876 781.9118 781.9252@5.124 4548 781.9252 782.0468@5.105143 13950 21615 17976 21886 12757 32529 11640 782.0468 782.149@5.0423636 35160 14265 49315 55005 34840 80526 29274 35803 37645 47410 33660 782.149 782.2114@5.0915003 1155 12636 782.2114 782.2314@5.0836663 9076 4534 7352 782.2314 782.2598@5.0976667 3060 6353 6055 2405 15750 1211 9045 6130 6258 782.2598 782.2736@5.1309996 2810 1373 1194 3589 5295 1403 2152 1393 3502 782.2736 782.2815@5.0931997 11509 6246 3045 4005 6998 782.2815 782.2891@5.1210003 3395 1393 3398 782.2891 782.3118@5.0908003 2850 8660 7823 6350 12167 782.3118 782.3141@5.1005 4806 9229 782.3141 782.3281@5.094625 5674 4188 1554 9524 1179 5356 5216 8330 782.3281 782.3471@5.070714 16117 8403 21783 5799 21534 3250 10070 782.3471 782.3588@5.113 2892 782.3588 782.3785@5.118 1796 3570 3420 782.3785 782.3895@1.1645 8636 7819 782.3895 782.4863@1.0165 8962 13284 19423 22118 782.4863 782.4962@0.99031246 10445 10900 6292 5211 4636 6257 6199 5946 5782 5693 5700 12516 13123 9761 10295 10959 10939 11645 12315 15308 14864 4033 6319 10571 11545 9285 8789 14784 14899 7848 7443 782.4962 782.5003@0.99 7162 6844 782.5003 782.5741@5.0660505 74774 3272321 1788407 4156253 628274 352710 1324635 1333792 4815907 6198066 4069191 251604 2547614 2022395 8053748 1365917 201447 268520 1818017 199444 782.5741 782.6359@5.9626236 9377 9806 6607 6377 16054 14133 11138 10804 9774 9327 23530 23686 9447 10064 10638 11388 8397 9125 16433 15383 7901 7236 6915 14021 20398 12301 11620 14763 12578 12713 9827 10771 10333 10531 12149 11942 6373 14215 14834 11775 14376 15803 15853 19474 11675 8134 7967 18258 17107 13772 18008 13297 12744 21180 25727 15657 26744 13257 14274 12265 9976 30684 30884 15682 12739 8704 8735 21042 16921 17529 17430 13463 16872 16482 12130 10646 8515 23744 50779 42619 8514 8638 782.6359 782.8886@1.1645 6048 5627 782.8886 782.9029@5.111111 4139 5902 4056 7706 3793 4834 6986 10414 3707 3612 6984 2394 3123 7713 5185 2549 3655 9337 782.9029 782.9135@5.1137137 4275 1462 3806 4334 3177 5127 1857 782.9135 782.924@5.1194 2680 2621 6154 3745 2172 782.924 782.9377@5.125 2886 3493 3197 4419 782.9377 782.9479@5.12 3393 782.9479 782.9611@5.136 1223 782.9611 782.9879@5.1066666 3651 3929 1810 782.9879 783.0176@5.099 5542 783.0176 783.0284@5.1025 4692 6914 6728 6059 783.0284 783.0465@5.1043334 3552 6804 7502 783.0465 783.0601@5.1008434 7062 6083 5923 6538 5957 7298 5757 8485 16845 8193 7420 5610 10048 6474 11647 7374 8964 12213 5579 3421 6456 7785 5980 8643 9406 6977 6809 5390 7701 7825 3020 10722 783.0601 783.0695@5.092375 7400 8159 9502 5026 8720 8911 3984 7222 8614 3993 4376 8819 11380 7156 8512 9426 783.0695 783.0702@5.118 3378 783.0702 783.0884@5.1064997 3580 9773 2445 6655 783.0884 783.1347@5.051 8454 783.1347 783.1504@5.067 5341 26021 783.1504 783.169@5.0892 46019 1638 7368 2065 34007 783.169 783.1793@5.09875 3076 2777 3505 8958 783.1793 783.2104@5.1234994 2843 2142 2016 1058 1361 2683 783.2104 783.2253@5.1117496 2822 1700 2332 5012 783.2253 783.2416@5.0966 1508 2770 4031 1307 2033 9573 2736 2814 18740 3105 783.2416 783.247@5.084 9876 2456 783.247 783.2682@5.0843334 3589 24932 10191 2701 2533 3676 783.2682 783.2743@5.081 6105 783.2743 783.285@5.0965 3249 2266 8672 3296 783.285 783.2965@5.09125 7777 2238 17185 2449 783.2965 783.3113@5.118 1576 1954 3080 783.3113 783.3213@5.051 8237 783.3213 783.3573@5.0895 1356 22252 783.3573 783.3838@5.128 1849 783.3838 GPSer(16:0/18:1(11Z)) 5392 8154 7180 6263 6022 6048 4753 14808 14572 32972 10981 9670 8559 7797 14303 13340 5858 5764 12905 12259 5586 5447 8691 9159 7966 7942 10191 9653 9018 9850 17098 6025 5489 4790 7877 8240 6539 5867 5555 13801 14029 4804 4724 7376 7207 7791 8578 5116 4394 8843 3985 7180 4277 LMGP03010007 783.4941 783.5764@5.278 4942 783.5764 783.587@5.079999 4971461 5051792 5403760 7393343 9549376 9684442 6230086 6219985 1.01E+07 1.02E+07 1.01E+07 1.01E+07 4369169 7180868 1.06E+07 5816357 2488851 2394339 7372326 7351428 5813063 5699642 7696094 7851159 7001478 6972078 8648913 1.02E+07 1.04E+07 1.05E+07 9521244 9182569 9175806 8668327 3927498 5941038 6845862 6899589 8693769 8599297 5668595 5014733 5006602 5404536 5270106 5949217 6846163 6881692 8136514 8233059 8947571 9051672 9043601 8931436 8388975 8463229 7843318 9340899 9224949 5922308 5880592 8422685 8027891 8409401 9036237 8909641 7028682 6998982 1.30E+07 5585539 1.28E+07 1.25E+07 6335593 6227515 783.587 783.6391@1.2054285 2151 1955 2198 1536 2539 2471 1537 783.6391 783.6399@5.9628 4277 2946 6551 4286 3138 783.6399 783.8115@5.152 1604 783.8115 783.9249@5.0889997 1780 1895 45160 44148 62163 91607 9016 2103 12075 1812 783.9249 783.926@5.108143 1677 2945 3371 1954 5296 53218 1410 783.926 783.9722@5.1193333 2069 1551 2792 783.9722 783.9923@5.131 1156 1632 2029 783.9923 784.0189@5.117 2552 784.0189 784.0335@5.1166 9789 9104 1361 2742 3004 784.0335 784.0555@5.095571 5252 2701 2582 2560 7463 10036 8423 784.0555 784.0613@5.12 2561 784.0613 784.0759@5.1168 1966 4348 2141 3337 5193 784.0759 784.0848@5.114263 2018 1970 1638 1207 1714 1884 7576 5875 1626 13396 1242 2806 4944 4365 2980 9458 5708 2075 2533 784.0848 784.0993@5.1176667 1920 3506 1154 2234 1243 1611 784.0993 784.1209@5.123 1294 784.1209 784.1415@5.123667 1514 1882 1620 784.1415 784.1461@1.169 7348 8568 4692 5595 784.1461 784.1533@5.0620003 3597 3246 784.1533 784.1602@5.0831437 13168 26684 5153 2461 3568 79797 23316 3031 18911 11426 3319 35090 21629 54209 784.1602 784.1673@5.094 80751 784.1673 784.1753@5.092833 1582 8622 2951 3363 79633 29186 784.1753 784.2135@5.048 7063 784.2135 784.2234@5.104 3578 784.2234 784.2344@5.1117144 3253 1206 2034 5109 8361 3228 3822 784.2344 784.251@5.115 2373 3464 784.251 784.2687@5.101091 2598 1730 9691 2697 1659 16880 8910 3760 10764 4730 3359 784.2687 784.2853@5.093857 2915 4480 1634 1608 21534 3985 2150 784.2853 784.2914@5.071 28925 784.2914 784.2968@5.0875 2527 5264 2469 7683 34988 14214 784.2968 784.3132@5.0732503 5566 29194 4846 6008 784.3132 784.3284@5.091333 2515 36452 3913 784.3284 784.3463@5.051 16970 7000 5986 3268 784.3463 784.3568@5.09225 4481 1776 10298 13192 3647 12207 4280 6126 784.3568 784.3727@5.085 1269 10377 6733 784.3727 784.3866@5.0855 12613 2984 784.3866 784.4018@5.044 6179 784.4018 784.4146@5.05 10706 784.4146 784.4489@3.94475 7222 5336 5354 5573 784.4489 784.5858@5.077857 986974 1394524 1107691 685978 1212211 1159678 1161863 784.5858 784.5912@1.2029722 17170 15143 5857 6480 21884 26792 2617 4806 3560 3186 129098 125743 30572 45959 24237 25988 11156 10715 2503 12538 12292 41258 42331 15718 15464 3234 8715 8666 42117 40730 5215 5181 42854 40367 11088 12260 784.5912 784.6023@1.2023333 2170 2283 2370 2399 2718 2487 784.6023 784.6527@5.946575 48226 51499 52777 52278 65120 64590 70497 71381 57944 57815 65548 48498 68881 68890 44557 51617 75573 80558 79171 86873 86192 85671 28838 29859 52606 29274 66036 62893 118843 118962 64966 65283 54583 54284 85769 86274 51609 43065 89854 80293 57392 57856 53185 48588 50694 76381 94388 52793 100690 100930 64141 65711 55544 48930 79460 78259 101691 104361 60225 59480 85846 87321 69423 39731 62801 35336 46109 49235 64215 65344 106193 125659 92417 94116 69897 69840 100566 98777 99198 80350 81421 75023 79377 81290 69696 75723 107768 127927 155973 154269 52711 28163 784.6527 784.6527@5.9890003 13126 2085 7153 3060 1779 8776 784.6527 784.8238@5.0855 1100 7102 784.8238 784.904@5.1210003 1859 2221 784.904 784.9187@5.114 2350 1419 1531 784.9187 784.9224@5.1026363 2175 10581 2111 1250 3136 2629 2590 1707 11282 17891 4046 784.9224 784.9406@5.079 1527 3008 784.9406 784.9547@5.1035 7124 1031 2663 1703 784.9547 784.9665@5.1159997 1423 1187 1622 784.9665 784.9888@5.0899997 1903 2999 1140 784.9888 785.0092@5.0957146 2588 1091 1760 3890 5085 10239 2603 785.0092 785.0371@5.064 4226 6623 10758 9212 785.0371 785.0537@5.0852 12889 4142 3750 4465 3334 7741 7375 3289 6861 10113 7669 3207 2091 8972 6879 785.0537 785.0586@5.1032 7098 1073 1810 3211 3556 785.0586 785.07@5.093188 15424 4874 1820 2214 3179 7998 10592 1032 8171 8087 11911 3097 9121 5069 3141 2354 785.07 785.0806@5.0759997 7584 8701 2768 6750 785.0806 785.0951@5.0964284 6585 2334 1793 2202 1721 5184 2022 785.0951 785.1268@5.043 7343 785.1268 785.1463@5.0817504 3850 1992 6280 3495 785.1463 785.169@5.0825 2433 3203 3998 7944 4414 14205 11002 2271 10509 6451 11985 8705 9225 12621 3505 3404 785.169 785.181@5.0874996 4912 2975 785.181 785.2119@5.0646667 3315 2711 3803 785.2119 785.215@5.0696664 7056 5870 7550 785.215 785.2413@5.085 10755 8591 3867 4272 8900 1800 785.2413 785.2535@5.0802 9840 1216 9520 15721 13524 785.2535 785.2696@5.0838 1432 7139 8960 9521 9651 785.2696 785.2831@5.0694284 5172 14361 3545 14861 12556 7284 4546 785.2831 785.2966@5.079 2208 16872 3389 8390 785.2966 785.3181@5.0651813 9101 3536 19063 2588 18660 1997 5358 11510 4993 9230 4721 785.3181 785.328@5.077 14191 785.328 785.3393@5.0855 2322 1365 785.3393 785.3652@5.0455 14510 3592 785.3652 785.3802@5.047 6152 5901 785.3802 785.3877@5.04375 7073 3174 7450 3844 785.3877 785.4067@5.047 2727 785.4067 785.5419@5.003 2856 785.5419 785.5871@5.021 1642 785.5871 785.6023@5.079734 4202082 2580571 5942599 3355259 4885463 3047856 5296462 5124697 3348246 3514840 4726625 4797647 4848988 4891596 7255527 785.6023 785.6541@5.946857 28128 23444 35201 43150 32221 29687 23756 785.6541 785.8238@5.041 3898 785.8238 785.8396@5.048 3891 785.8396 785.922@5.125 1881 785.922 785.9326@5.12525 2855 2173 2668 1498 785.9326 785.9514@5.117 2061 1727 60755 785.9514 785.9733@5.128 1310 785.9733 785.9873@5.13 1220 785.9873 785.9979@5.044 2245 785.9979 786.0099@5.12 1623 786.0099 786.0381@5.0968466 2134 2585 9936 3341 5922 3430 6182 2541 5791 3323 1925 3122 2748 786.0381 786.0535@5.11575 3692 3435 3198 1550 1319 2768 11226 1209 2465 2588 2342 1348 786.0535 786.0677@5.1192727 2829 6963 3402 1378 10312 1721 4041 2418 1231 2044 1980 786.0677 786.0841@5.0895 5501 1212 1519 2308 786.0841 786.0943@5.051 1394 4759 786.0943 786.1158@5.0733333 6211 2855 1051 786.1158 786.1238@5.055 2683 786.1238 786.1408@5.0474997 1374 1712 786.1408 786.1736@5.1068 31266 1913 2252 1137 1287 786.1736 786.1776@5.095143 19833 51056 1198 2241 5876 1650 25880 786.1776 786.1822@5.0870442 18625 4730 23963 8257 31834 2283 36038 46001 11263 6415 14765 1301 38766 57570 2367 1931 30511 55420 1381 50966 82641 35182 20881 786.1822 786.1873@5.083 26037 786.1873 786.2003@5.112 2160 1757 20715 2459 786.2003 786.2155@5.136 1164 786.2155 786.2286@5.1146665 1389 2026 1604 786.2286 786.2406@5.036 2662 786.2406 786.254@5.0951996 2019 5141 2301 8310 2107 786.254 786.2699@5.0861998 1316 6279 4620 8294 6901 786.2699 786.28@5.0786667 2018 7344 9269 786.28 786.2968@5.07625 4299 5534 5917 1628 4174 7479 4882 1723 786.2968 786.3031@5.103 8062 786.3031 786.3087@5.0935826 2558 31586 23073 29606 7912 2954 5215 19293 10730 9347 4428 2827 786.3087 786.3222@5.0806 3731 32076 17623 7410 5965 786.3222 786.3329@5.0874996 6373 9011 2643 1336 2486 8491 4280 2919 786.3329 786.3556@5.091 18701 4270 786.3556 786.3717@5.077643 10190 13110 6213 3470 3081 18631 4240 21019 2359 5308 2428 22972 18263 3091 786.3717 786.3759@5.082 26432 786.3759 786.3779@5.1055 1426 14653 15800 1349 786.3779 786.4134@5.0653334 4258 10717 3868 2534 9117 7291 786.4134 786.4229@5.0575 2945 2588 786.4229 786.6064@5.082 1111358 1688310 1842326 1844404 2109789 786.6064 786.8246@5.042 3339 786.8246 786.8456@5.126 1334 786.8456 786.9243@5.113 1602 2972 786.9243 786.9388@5.076 5893 786.9388 786.9485@5.08425 44508 55833 15292 41281 786.9485 786.9579@5.0793753 41333 1372 57114 25323 23134 30375 47052 1297 786.9579 787.0043@5.053 1038 1262 787.0043 787.0048@5.055 1798 787.0048 787.023@5.05375 4220 57384 33405 18878 787.023 787.0415@5.0925994 8623 5375 9498 2732 7770 52223 4283 2886 5339 17187 56701 59511 9433 3283 9958 787.0415 787.0524@5.107022 10073 7496 4824 3789 3513 11405 6067 2268 4703 6803 5121 7125 12114 11754 7145 1776 3343 11225 4231 9058 13897 4082 11186 11027 4596 5235 7549 11922 8277 11398 4429 7824 5238 10757 6560 7193 6234 7898 7202 3707 2332 3917 4002 4565 787.0524 787.0548@5.0583334 5331 2201 3374 787.0548 787.0712@5.099399 5180 6224 10400 14752 3125 11343 11440 3911 8468 18180 13297 5464 11303 12288 8691 787.0712 787.0745@5.1011667 3888 2782 4630 8784 11845 4981 787.0745 787.1011@5.0542 1611 1520 6642 6490 5471 787.1011 787.1031@5.051 1264 787.1031 787.1057@5.058 18991 5163 5848 4027 1516 787.1057 787.1264@5.044 1733 787.1264 787.1376@5.0666 1557 2153 4558 2387 1691 787.1376 787.1831@5.0801 3815 10349 29588 3880 3159 20544 2319 16181 1157 9252 787.1831 787.186@5.114 1292 787.186 787.1919@5.086154 14970 3208 5265 15273 1226 6616 22482 2928 20144 15000 2640 3543 21779 787.1919 787.2284@5.0882006 2351 3966 1819 1504 2274 787.2284 787.2428@5.0728335 2386 3724 9966 1312 2030 1670 787.2428 787.2577@5.0944 3310 15648 1228 2007 20111 8048 2723 1893 3070 1171 787.2577 787.273@5.0778337 3171 4602 19095 2755 7558 6562 787.273 787.2883@5.0855713 5506 8700 2752 2094 24181 4496 9919 787.2883 787.3059@5.071714 18287 3455 11267 13028 1981 3686 15556 787.3059 787.3215@5.0930004 1183 1315 787.3215 787.3295@5.079 1379 4214 11745 19200 2698 15780 3145 787.3295 787.3436@5.095 13643 3297 7437 787.3436 787.3601@5.0855 10575 3385 5442 10811 12282 12158 8612 7474 787.3601 787.3716@5.7180004 1443 1720 787.3716 787.3839@5.099 17559 8080 2846 15826 2575 5448 1034 787.3839 787.3846@5.086 17226 787.3846 787.3881@5.089375 1679 3363 13316 1047 4849 17008 18115 17415 787.3881 787.4186@5.0764 4714 5093 2089 4918 3945 787.4186 787.4345@5.062 5732 787.4345 787.5171@4.4275 8773 16702 6730 18345 787.5171 GPEtn(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[U] 5693 5200 41569 41773 14821 14785 9258 9214 4207 80913 78995 177829 179067 7998 8409 41839 41511 105534 105341 122033 119716 20693 20067 26769 25550 9006 9392 18609 20499 54051 53833 58521 60081 55010 55171 9822 10413 128891 126327 6354 5947 12543 12326 73826 76215 7096 7160 7856 8392 4014 3961 7341 7516 10057 9854 32496 31177 2580 3911 8235 7579 12644 12456 8541 7913 LMGP02010040 787.5204 787.5313@5.2120004 3087 7055 6433 4409 4604 4786 787.5313 787.5553@5.0043335 18188 18567 22280 32409 11453 116461 33581 37884 72255 19538 47088 32802 41916 44649 97655 36772 25835 36890 787.5553 787.6109@5.1685 5548 10601 27428 4760 5235 10300 787.6109 787.6675@5.9446664 4924 3665 2914 787.6675 787.8317@5.09625 1345 1461 4454 1509 787.8317 787.8423@5.117 3507 787.8423 787.8581@5.043 3924 787.8581 787.9052@5.054 1445 787.9052 787.9259@5.1105 4533 1187 1456 1779 787.9259 787.944@5.0852003 10582 2967 8407 1992 10433 11980 1912 1349 1855 24913 787.944 787.9539@5.0726247 6137 23597 1494 1344 13206 18277 19345 9941 787.9539 787.9769@5.0779996 10968 24914 11830 14216 15445 9641 5355 20816 11898 16924 16419 2016 787.9769 787.9873@5.088 15093 787.9873 787.9981@5.054 2546 787.9981 787.9992@4.41875 5267 5452 5024 4968 787.9992 788.0141@5.1647778 2699 3588 1936 5097 6448 2374 8645 1093 9009 788.0141 788.0213@5.305887 3363 3621 27015 27591 9661 10068 6113 6196 54371 55098 121658 124186 5708 5257 27531 27359 71515 74432 84272 81038 13611 13630 16876 17563 6648 6291 13452 13597 36819 37209 40270 40705 40678 37141 7134 6760 88390 87636 4391 3890 9184 8325 51369 50219 5247 4978 5159 4869 2953 2731 4962 5187 7139 6914 21091 21120 2232 5240 5121 2801 9461 5615 4977 788.0213 788.0486@5.09445 11346 5547 4203 6377 8822 12214 2367 3374 3335 9961 3609 2868 5573 4391 2976 3163 5838 11735 2698 3874 788.0486 788.0582@5.0967503 6819 10043 4445 5047 788.0582 788.0624@5.078158 1801 4975 3065 15685 4862 1525 18023 8261 5283 4366 3461 1715 13535 7213 12539 4844 5833 9546 18801 788.0624 788.0799@5.0822496 10644 1183 3629 3553 788.0799 788.0907@5.0774283 9084 3897 8356 8450 2592 13106 10910 788.0907 788.1135@5.066 3426 9826 788.1135 788.1324@5.0718 2066 1135 2343 8619 7892 788.1324 788.1597@5.067333 3139 1187 3970 788.1597 788.167@5.079 2924 1521 1302 1325 3516 4800 788.167 788.1874@5.0802 4272 2489 1259 3855 7385 788.1874 788.1947@5.0905 4883 7416 1064 6032 3388 3281 2860 3256 5858 5477 788.1947 788.2245@5.083286 4144 1681 6094 7609 1462 15738 2457 788.2245 788.2426@5.098167 7220 4237 10069 1650 1618 2570 788.2426 788.2463@5.085 3816 1382 3533 788.2463 788.2569@5.08425 1965 2248 12535 8438 3634 1171 1975 3557 788.2569 788.2592@5.079182 2755 7234 6880 6146 4011 4788 2975 3112 1254 12049 5704 788.2592 788.2784@5.097 2730 788.2784 788.2943@5.089667 6706 13411 12915 9384 1047 2628 788.2943 788.315@5.0865836 1912 8124 5172 1055 7567 11662 12431 1549 13343 6773 4330 7429 788.315 788.3228@5.08 7061 12510 7822 6995 788.3228 788.3339@5.0782003 3175 8681 1763 8644 8335 788.3339 788.3444@5.072 7340 788.3444 788.347@5.0798573 13211 1519 2371 9677 13895 15905 17244 788.347 788.3661@5.081625 2545 3885 12668 1467 3981 12032 6723 4140 788.3661 788.3881@5.0861664 2525 4887 12796 2642 2968 12704 788.3881 788.3989@5.08 8699 788.3989 788.4094@5.0874996 1922 4844 9458 4705 788.4094 788.4243@5.09 4545 4502 1156 1962 788.4243 788.4346@5.073 4902 788.4346 788.4489@5.2615004 2985 3532 788.4489 788.4561@5.074 5641 788.4561 788.4824@5.377 2107 788.4824 788.5045@4.42025 3888 3790 3462 3290 788.5045 788.8194@5.049667 2150 1167 1706 788.8194 788.8485@5.089462 1660 5650 1212 4194 2071 6590 1466 1444 2930 1435 2378 9879 1858 788.8485 788.8595@5.0675 7417 1610 1447 2056 2107 1458 788.8595 788.8881@5.0933337 1615 1512 1504 788.8881 788.927@5.0889997 1691 5035 788.927 788.9384@5.112 1451 788.9384 788.9476@5.077909 3126 3306 5044 5641 3143 8720 7757 6950 15470 9836 9904 788.9476 788.9604@5.0699997 7290 12454 6327 6979 1585 788.9604 788.9709@5.0785 3200 7874 3189 7677 788.9709 788.988@6.487033 9612 9595 10119 10125 5917 5826 15202 14895 11737 11774 13455 11322 11489 11953 3365 3799 11935 10915 8735 9271 16123 16564 7104 7058 6234 6445 8233 8142 16778 9107 10460 10393 8548 9200 14779 13735 6562 6538 10274 10051 16580 17900 4799 4999 7357 7102 12936 13714 10894 10440 11608 10901 8746 8824 6560 6122 9408 9232 8091 8125 7593 9013 11905 11952 11069 11575 10467 9822 11483 10496 13674 13416 7102 7504 13666 13842 16893 17283 13160 15156 9961 10570 10210 8104 8322 13483 12600 6310 13858 11048 11192 788.988 788.9981@5.076667 5964 6582 1042 5159 6396 4587 788.9981 789.0069@5.0778 2985 7074 4782 6510 15209 789.0069 789.0218@5.0836 9252 5534 6190 4731 3331 5028 5090 5026 9388 2682 789.0218 789.0363@5.0808887 10930 4312 3609 15899 6716 1560 2690 26148 27295 789.0363 789.0597@5.0825715 4032 1864 5396 2684 2112 14979 12880 789.0597 789.0776@5.081555 15194 2468 12224 1677 2027 7571 2758 11834 14577 6349 6590 3934 1478 9931 1796 1664 2903 10208 789.0776 789.0872@5.094 2494 7779 789.0872 789.1037@5.079 1488 5783 3747 1879 7685 1126 7450 5802 9323 4053 789.1037 789.1139@5.074333 2146 8501 2946 8033 5312 2068 789.1139 789.1262@5.0805 1886 9494 4131 10154 789.1262 789.1439@5.0807147 2134 5187 3741 1554 4958 3452 5150 789.1439 789.1537@5.076 5596 789.1537 789.17@5.0806003 1910 1843 2081 3663 6918 2958 2843 1860 6351 4300 789.17 789.1855@5.077588 3584 11110 11961 1364 7951 9565 1774 5225 2799 4255 4552 6276 3586 8869 8502 1748 9397 789.1855 789.2194@5.0740004 3851 8268 3102 8436 789.2194 789.2243@5.0791426 10294 2177 2567 6967 8450 5318 5293 7996 6567 2584 8107 5390 3839 9501 789.2243 789.2408@5.078 10705 7587 789.2408 789.2656@5.0780835 10244 10091 8994 4990 1041 6059 7254 3431 5338 1371 8036 2938 789.2656 789.2748@5.0852857 5431 6564 6737 9189 1442 9545 1870 789.2748 789.2921@5.074 7398 4110 2835 8633 4892 1890 4598 7429 789.2921 789.3138@5.0839996 2836 6651 3442 4034 7685 4862 789.3138 789.3423@5.0823994 1786 2101 5439 5899 3009 2737 2066 5606 6491 4847 789.3423 789.3518@5.0796666 5195 4509 4969 3535 2353 2127 789.3518 789.3594@5.0845714 10836 6802 9243 3368 4978 7085 1452 789.3594 789.3888@5.0893335 5188 8165 4940 789.3888 789.394@5.0825 7545 7602 789.394 789.3981@5.0870004 2102 3327 1153 3451 7823 3813 1688 789.3981 Erythromycin 6238 6844 7517 7030 4555 4218 10453 10992 8597 8086 9523 9500 7479 8356 2576 2504 7268 7837 5330 6364 11175 10484 4934 5300 3794 4236 5657 5283 10379 11386 7010 6666 6997 5678 9960 10301 4365 4692 6870 6906 11926 11888 3297 3501 5149 4558 8901 9795 7527 6513 7665 7514 5904 5935 4862 4297 6875 6543 5135 5063 5737 6177 7455 8499 7400 8150 6547 7061 7241 7533 9322 8910 4870 4373 9792 9887 11088 11622 9735 6193 7179 7264 6668 5450 5641 9252 8878 5910 5665 7434 6737 C08031 LMPK01000019 789.4898 789.537@4.4200974 10224 10539 8016 9561 9197 10348 9874 11277 11400 6024 14497 28085 28837 16007 15118 15067 4822 23223 15945 14011 14712 4011 13051 21639 20650 6019 18268 15485 14820 5630 5533 16361 16488 18356 23976 7097 8959 13456 13929 13445 12623 7169 15746 16602 15913 4671 15061 9352 13291 21498 21784 789.537 789.5735@4.9778953 15024 16140 14371 14882 18370 17270 15970 15356 6333 8810 35786 34004 18519 17684 7066 6712 11193 11555 28675 13272 8323 8696 65316 108324 22044 18961 19449 44988 43977 22601 20250 12877 12212 8426 9534 28941 27166 13779 13956 12393 15752 41816 38750 37476 34792 23399 21593 35741 37226 14255 13894 12520 12670 20654 39633 36800 30009 28524 25620 26915 51621 50148 17072 18560 57444 56360 29391 29230 15300 15841 12334 14036 22989 22604 23144 40533 42539 26314 30265 28630 17463 17816 30147 31626 14834 789.5735 789.5759@5.14 3873 789.5759 789.5779@5.042122 288279 117993 68053 119041 75120 58714 45199 43349 18742 19988 13245 44769 461026 48555 112589 20663 45181 2238 77726 48531 54433 5581 32957 16450 6810 75946 10166 51630 101704 34571 51312 22641 40013 21846 64246 20807 14553 32295 58959 43470 99861 789.5779 789.5839@1.201 2530 2364 789.5839 789.589@5.0502005 57487 38938 20073 57243 36801 789.589 789.5991@5.1423335 4008 4620 1847 789.5991 789.6915@0.966 7398 789.6915 789.7763@5.11 1125 789.7763 789.8152@5.07475 1382 2816 1417 3270 789.8152 789.8345@5.0827503 1365 1692 1386 2523 789.8345 789.8406@5.07975 6917 3411 2231 4570 4071 3936 2883 2285 789.8406 789.8549@5.08275 6684 3666 1840 2772 789.8549 789.866@5.076 4610 789.866 789.8843@5.0803337 3069 1863 1269 1027 5604 2619 789.8843 789.8901@5.0725 5327 2289 789.8901 789.9106@5.079167 3302 5602 3586 3878 5552 3379 789.9106 789.9301@5.0815 1352 2838 789.9301 789.9417@5.0815 4248 2355 2176 2567 4884 2447 1968 4688 4462 2867 789.9417 789.9602@5.086 3265 3524 3293 789.9602 789.9792@5.0827503 3885 2567 3242 2390 789.9792 789.9884@5.084 3286 2286 1703 4635 789.9884 789.9925@6.4709997 7562 7126 789.9925 790.0@5.264304 2437 6066 5923 13363 13508 2985 7800 7537 8683 9007 3696 3861 4423 4515 4051 9076 10218 5500 5543 5912 3466 3229 4507 790 790.0174@5.0742497 1457 2261 4907 2051 4487 2704 3781 9148 790.0174 790.024@5.072 1983 1652 3426 790.024 790.0349@5.0824 7131 6500 1567 2320 13160 790.0349 790.0462@5.080125 35434 7431 9109 43630 7919 6309 14732 39957 790.0462 790.0607@5.0794544 7741 18203 17270 5570 8925 10264 1707 8068 12843 8595 19556 790.0607 790.0713@5.0816 18344 1821 3030 10515 5258 790.0713 790.092@5.079 1864 2383 790.092 790.1071@5.0794997 1246 2971 1916 1121 2633 2882 790.1071 790.1243@5.0865 3724 1638 790.1243 790.1346@5.080667 4502 2849 2131 790.1346 790.1404@5.086333 2025 1888 1306 790.1404 790.1628@5.074 3762 2765 790.1628 790.1752@5.0885 4014 3926 790.1752 790.1777@5.0818334 3303 3620 4812 2854 3635 1910 790.1777 790.196@5.0769997 1309 5459 4028 790.196 790.2213@5.080667 2412 3214 2795 790.2213 790.2364@5.0775557 2404 4071 5098 2721 6979 3209 2796 2864 8541 790.2364 790.2717@5.0745 1151 2219 1102 5507 790.2717 790.2959@5.08475 6166 2464 1761 2158 790.2959 790.3051@5.0795 4305 3946 790.3051 790.3169@5.080666 4492 1571 1057 790.3169 790.3372@5.0913334 2843 4577 1397 790.3372 790.3518@5.085 3443 1313 2513 2733 1521 5652 2267 790.3518 790.3665@5.061667 2983 3333 2363 790.3665 790.3743@5.086 2450 1530 790.3743 790.3951@5.085 3449 790.3951 790.4166@5.073 1688 790.4166 790.4902@6.4686666 2879 4538 3900 790.4902 790.4986@5.3170004 3830 3985 9344 8770 4806 7088 6371 6245 2509 6132 6669 3257 3286 790.4986 790.538@4.417 2858 790.538 790.5707@5.060285 2542 2293 9610 5902 4693 11651 5171 790.5707 790.5867@5.060047 19625 2200 1702 7286 8426 3241 7711 11209 12247 22077 10774 11634 11274 6183 28263 9710 18976 8974 19728 16538 24632 790.5867 790.782@5.0806665 2647 1468 2982 790.782 790.798@5.087333 1459 3007 3785 790.798 790.8128@5.089 2071 790.8128 790.823@5.0783334 5067 3139 3428 790.823 790.8359@5.08125 3439 2929 1864 3301 790.8359 790.8543@5.071 2889 790.8543 790.8649@5.077 1515 3554 790.8649 790.8754@5.0745 1576 2510 790.8754 790.8878@5.0808 4209 1924 3447 3366 3472 790.8878 790.9088@5.0756664 4208 1963 1484 790.9088 790.9467@5.092 1498 790.9467 791.051@5.079 19538 791.051 791.0568@5.079265 5432 5256 6506 4240 3907 2694 6426 4707 4642 5333 5635 5454 5125 6135 5809 5519 6132 6594 2877 5701 28032 4822 4759 6672 4753 6133 6033 24963 4718 4878 5964 5989 5588 6325 6852 6566 5754 5908 5966 5361 5965 8516 8256 6333 5808 5281 2476 5202 5001 791.0568 791.0624@5.07025 4934 3796 4709 2405 4877 5772 5274 5124 791.0624 791.0725@5.071 1661 791.0725 791.1674@5.078 1161 791.1674 791.2128@5.078 2609 791.2128 791.2235@5.0805 3960 2164 791.2235 791.2645@5.081 3086 791.2645 791.2911@5.08 5289 2383 3137 791.2911 791.3204@5.0805 1216 2175 791.3204 791.3569@5.067 1703 791.3569 791.5179@1.204 7873 791.5179 791.5524@4.4174666 6311 4450 5186 8768 7474 5718 5542 5402 9918 12829 8626 8309 13536 5403 10980 791.5524 791.5602@5.115933 4581 3946 4010 4444 6960 2732 4095 2281 4683 7350 8300 61698 4870 7549 8037 791.5602 791.5691@5.0933323 9581 10751 7951 5699 13318 7658 8460 7613 5996 8846 9527 12675 10035 12943 11093 13371 11039 7280 11362 11124 8367 6698 9846 26016 8204 8843 9305 15720 22209 10977 791.5691 791.5816@5.0336895 26721 32786 70775 23284 27572 18031 59256 25281 11227 44157 64133 24277 25953 20124 15180 20499 21979 38163 38285 33912 22904 72014 90252 38779 42861 102465 99449 44459 59940 791.5816 791.5883@4.996666 66122 64923 32300 30912 321350 35414 36978 21369 67031 34906 57855 98499 27262 27952 20155 13719 53201 58465 37727 28935 60399 55097 617626 435322 46629 43971 43760 53288 54727 109239 102498 104849 33768 63100 25557 57458 145504 108767 61235 27856 52779 176655 712533 703997 82725 83240 251054 80738 474381 478256 24221 26727 40955 32048 86227 79385 159916 154647 101317 112690 112401 65491 119439 118843 37540 71493 130148 136737 147100 141627 36113 33126 52827 42963 52521 269526 107991 132294 136031 85418 51531 45378 25757 24453 71795 69908 165537 172047 31937 36448 791.5883 791.5897@4.9739437 39961 34510 21958 73479 103256 15692 52913 36416 33398 44716 39424 49057 56423 19916 30798 36171 25417 27813 19395 46423 53953 48824 39167 91900 96909 46488 64027 56709 65245 19973 30926 75209 44733 60964 64478 39603 791.5897 791.7049@0.966 9369 791.7049 791.8027@5.077 2481 791.8027 791.9013@5.088 1043 791.9013 791.9182@5.014 5512 3405 13573 791.9182 791.9439@5.014 8086 791.9439 792.0518@5.0990124 5446 6290 5239 5038 5118 5606 6959 6768 5825 4837 5780 5529 6686 4760 4080 5042 5491 6175 6089 6170 6302 6171 5872 5374 5911 5958 5090 5000 7611 8605 7266 7742 7346 6919 7506 7457 4842 4603 5699 5799 6272 6824 5676 6041 5692 5147 4906 4469 5589 5003 4352 4550 4611 4604 7500 6646 6671 7774 7395 7130 6496 7041 8188 7292 6325 6826 5607 6222 5878 7700 5932 7325 8414 4705 5332 5411 5826 5346 8388 7432 6486 5409 5332 792.0518 792.0772@5.038 11726 792.0772 792.1999@5.0579996 4116 3878 792.1999 792.315@5.023 5453 792.315 792.4754@5.3163333 5382 4307 2107 792.4754 792.5553@4.418667 6452 3600 4125 5764 6023 8095 792.5553 792.5591@5.106619 5942 11859 12869 9075 8952 14939 14803 15603 15240 14908 8379 9830 7055 16492 15503 2006 10415 13800 13250 13404 12346 792.5591 792.5645@5.097807 11633 12838 13108 14048 14808 5564 15838 13472 13043 16372 13971 14491 10700 10659 12377 18019 10619 6469 7835 13260 11811 4542 12823 5254 14647 14239 14208 16569 14022 14384 15913 4808 12288 15359 15831 14361 13910 14214 14203 12919 12639 12946 12281 13343 11804 12785 12520 12672 16611 16437 14921 17021 15120 16357 13225 16261 15683 18304 13365 13006 13574 14896 16139 18129 16269 14651 15171 14751 14588 13762 13387 5960 792.5645 792.5849@5.028 7167 792.5849 792.5925@5.000428 16445 6334 5774 13787 5716 10091 19086 18310 30223 14854 16599 19744 40557 15263 792.5925 793.011@6.4093337 2095 2064 2673 793.011 793.0487@5.0439997 11403 3774 4636 3600 793.0487 793.0614@5.100435 8321 7951 8498 9422 9385 9525 9871 10353 8752 8599 10651 10845 9826 9799 6879 7399 9338 10138 9341 9233 9010 9214 4761 4145 7648 7726 8931 8143 9651 10266 8787 9121 10258 10787 11374 10926 12065 11881 9794 9664 9974 11167 9027 9213 9708 9762 9400 9641 10486 10473 8891 7975 9490 8480 8508 8578 8373 9015 7613 8201 9775 10474 10282 10129 10495 10513 10485 11006 9458 10123 9903 11127 10138 10425 9340 9937 11937 13364 12050 10246 9793 9680 10172 10203 11030 10205 10070 11151 8303 8866 9278 9531 793.0614 793.5123@6.4034996 1193 1759 793.5123 793.527@1.204 6567 793.527 793.5629@5.119 38447 793.5629 793.5684@5.10164 55850 55184 1179 53277 41630 43818 42449 40145 46837 47201 46914 47780 44568 44380 43030 45282 44179 45536 49736 46392 51321 53129 48781 41331 46868 793.5684 793.6039@5.016 287247 793.6039 793.6051@5.0113263 248248 356557 554020 526300 475943 846897 311013 581080 615994 842909 288928 239842 267274 312371 420171 435786 812637 441672 266699 438604 329385 316053 317522 397164 604901 388165 704649 416908 593265 725143 710930 404781 334674 621644 587738 605095 551741 484059 484453 786548 384004 431977 308568 328202 31944 534180 454530 602566 610743 345673 537510 506976 649948 777135 784358 746530 738044 790984 499482 926120 941762 557972 326593 375387 395404 388801 657386 835382 841819 487600 446219 544137 186301 233411 868580 528820 947576 741610 599155 584234 793.6051 793.8282@5.084 2465 793.8282 793.9322@5.024 31690 793.9322 793.9361@5.0116363 2094 25196 2393 3445 1835 1586 24887 5430 7106 1387 3619 793.9361 793.9549@5.011 2880 793.9549 793.9906@5.015 8745 793.9906 794.0174@5.026 6968 794.0174 794.0446@5.018 1789 794.0446 794.0687@5.0986667 17483 17751 18478 17792 21314 12488 23819 22185 20024 20471 23818 24170 23645 15432 15451 20767 21300 23754 21868 19320 20384 8797 9311 23906 22974 20439 20982 23177 23483 22929 19242 20054 19384 22729 24645 19508 20416 22122 24119 21110 20517 19643 20506 20208 23322 23736 23909 23787 22552 21010 18995 17229 17052 17480 20823 20717 23621 22482 23224 21295 22567 22230 24350 25011 19503 20830 21452 22022 18419 21633 20960 22429 18702 21011 19253 23855 13859 18477 21055 20706 23876 23425 22330 21397 20127 18843 19797 17805 20601 20210 794.0687 794.1056@5.002 4414 794.1056 794.1213@5.0144997 3904 2308 794.1213 794.178@5.028 13641 794.178 794.2879@5.0150003 2141 23514 794.2879 794.3372@5.008 3124 794.3372 794.3602@5.016 5648 794.3602 794.5272@5.284589 5623 5670 14619 14981 8897 7945 9662 9949 4318 4709 5310 6238 4868 9717 9165 11524 10050 794.5272 794.5761@5.09 19486 9059 17012 794.5761 794.6096@4.9995713 81597 123597 136487 67208 5012 85935 97606 794.6096 794.8183@5.093 3382 794.8183 794.9344@5.025 16380 794.9344 794.984@5.003 2280 794.984 795.0025@5.01 3245 795.0025 795.0284@5.2841115 9513 9685 4801 4957 5971 5925 2618 6200 5545 795.0284 795.0664@5.014 1369 795.0664 795.0766@5.0716662 14314 9589 11823 795.0766 795.112@5.006 2995 795.112 795.1507@5.01 1223 795.1507 795.1681@5.021 3307 795.1681 795.2038@5.02 4863 795.2038 795.2288@5.008 1544 1308 795.2288 795.2784@5.02 5910 795.2784 795.5183@1.201 3359 795.5183 795.5248@5.137 32107 30119 795.5248 795.5339@5.1286855 25347 20527 39555 23603 32966 17661 32124 26843 33650 39242 18036 44342 39597 32306 32693 31084 33295 31023 30226 30804 30751 27538 31204 26836 22015 34849 20455 51592 53161 29243 35950 31087 31304 31336 32021 39348 39796 26666 32486 29155 29239 43811 37214 35089 30128 23873 21745 26489 27046 33972 34079 31516 25227 27449 795.5339 795.5438@5.2100224 23337 27759 20105 23355 36038 37576 22980 39694 21674 27894 25717 16400 3924 3839 29996 30062 26892 27178 33985 29962 29450 42947 35192 30282 28651 27082 24289 30755 30687 7214 7235 33277 30888 2759 2544 32716 3023 33623 3904 3406 7028 6597 9436 5494 795.5438 795.5804@5.088 9075 795.5804 795.6087@5.0195403 200095 205407 178339 172813 210107 272643 259419 89465 131108 210299 1256 246897 202749 2199 196894 226177 182963 207418 334929 195759 152366 246111 249279 172687 235726 244409 341262 140587 101114 339974 242194 185339 281493 302241 270649 2119 163268 149121 149327 190285 190363 356363 339920 228267 235717 230939 154011 222363 248936 1945 795.6087 795.6159@5.001 59275 163687 1358 8586 400532 421813 795.6159 795.8321@5.076 2478 795.8321 795.9217@5.045 5774 795.9217 795.9527@5.0186 1789 2971 3929 4674 3457 795.9527 795.997@5.023 2395 795.997 796.0423@5.035 1867 2419 3742 796.0423 796.0541@5.037 2373 796.0541 796.0635@5.0401664 3036 6289 9190 11266 2478 3146 796.0635 796.0731@5.0639997 2146 2984 4333 796.0731 796.0885@5.028 10431 796.0885 796.1621@5.0115004 2551 5887 796.1621 796.1759@5.0355 6097 2940 796.1759 796.1997@5.011 4207 796.1997 796.2534@5.026 5362 2532 796.2534 796.2894@5.017 5103 796.2894 796.3507@5.022 10412 3301 796.3507 796.3744@5.013 6139 796.3744 796.4887@1.05275 2971 3425 13538 12606 8129 8007 9510 9914 15013 14386 8170 7866 796.4887 796.4997@7.454 4262 4037 796.4997 796.5405@5.1286664 5595 13485 7920 796.5405 796.6119@5.0285997 60083 105795 71654 69261 37781 796.6119 796.6153@5.021 49375 796.6153 796.6442@5.939619 4960 5840 5428 4219 4546 6990 7150 4574 4678 6017 6655 3435 8267 8430 4146 4551 4855 7194 6465 12229 12352 796.6442 796.8503@5.0355 4381 2905 796.8503 796.9161@5.0255003 4653 2801 796.9161 796.9314@5.031 3139 796.9314 797.0038@5.012 1983 797.0038 797.0573@5.048182 7447 5734 1979 5176 7838 8136 10470 7139 3407 10969 5875 797.0573 797.064@5.052022 5571 6083 7209 3301 7973 8263 5164 6648 5505 4409 8075 6502 4892 5509 6506 6906 10304 7046 9830 2602 7419 7099 9745 6296 9549 8831 7836 9163 6330 4612 5150 6699 8097 4080 7965 7253 3863 9927 8753 11370 6118 7206 9019 8708 5352 797.064 797.1499@5.028 3982 797.1499 797.5531@5.406 3121 797.5531 797.5565@5.2075996 10682 16448 16695 10681 12883 5203 8700 10139 9636 9483 8723 8641 7037 4290 9526 15214 15255 3347 7532 2864 797.5565 797.6043@5.0562873 48353 71143 84924 68390 69856 84035 58535 44597 44176 46969 48310 69374 75078 47609 20111 60595 56485 64784 60215 82642 37858 65737 47749 50221 42256 52316 54416 55463 64674 13613 36058 60723 45758 59964 83537 83738 93644 49631 44091 23260 10773 44104 33127 44946 34364 50262 79311 54539 47618 53263 77783 60623 75361 68849 64240 59181 35153 50579 52594 41739 29575 54240 51859 55864 72481 44872 60189 59119 99094 97206 102129 59023 47860 797.6043 797.6145@5.046 36312 45485 797.6145 798.009@5.033 4599 798.009 798.0686@5.067 8589 798.0686 798.5376@1.002 14414 798.5376 798.5494@5.1295004 5668 4113 5585 2871 798.5494 798.5561@5.131214 4214 4330 2785 7062 2517 4594 4590 3860 5846 5601 3686 3292 3905 4098 4765 3559 3139 5153 3899 4654 2863 4100 4487 4777 6211 6434 4946 3989 798.5561 798.5695@1.2076668 19387 18707 8153 798.5695 798.5712@1.702 3194 798.5712 798.5717@1.6405 35579 32859 12450 11976 798.5717 798.6042@5.053 10612 798.6042 798.6064@5.0645003 11066 10931 19307 6654 20918 13642 14211 8863 5962 4642 10236 9747 12153 15866 31370 21510 17511 10319 39473 15943 9389 6047 11498 15145 12092 31076 30970 47449 15437 12479 798.6064 798.6164@5.044 9491 5295 16774 10021 14120 798.6164 798.6592@5.9453993 2520 5567 6058 2641 11302 798.6592 798.6679@5.9273577 12450 13707 11397 11290 10523 18407 18475 19269 15429 16007 10544 10787 15765 15327 15902 16708 21518 20459 20598 20245 18144 15994 7470 7651 14107 15751 18859 18253 27905 26882 22684 20591 13179 12797 16272 16090 6872 10956 14297 14604 15087 15537 15342 15231 19499 18033 25331 27378 33833 33146 19544 19650 15465 16424 26555 3742 27582 4383 17897 10101 24704 25501 20770 21023 18344 4642 8086 12890 16640 16193 33210 20855 23743 26440 18041 17933 22982 26523 27477 21266 13512 22382 19776 21856 23204 22201 32934 32385 42696 28425 3421 14524 798.6679 798.6702@5.9205 22203 26510 798.6702 799.0758@5.0813336 7125 6389 6350 799.0758 799.5763@5.168 14101 799.5763 799.5774@5.205 17371 26582 799.5774 799.5921@5.0961666 3764 10293 10564 6307 6278 4174 799.5921 799.6099@5.069967 12246 12651 20851 8329 26679 17257 15369 27307 27702 3324 7670 15050 14980 10968 18831 19253 12922 23996 4571 11718 16661 20016 20534 20573 23474 20433 18336 3183 16741 19509 16802 799.6099 799.6156@5.0645 10927 7553 21525 17246 799.6156 799.6706@5.9287996 6723 6453 6461 4151 7959 7682 5887 13531 9060 18760 799.6706 800.079@5.083 4169 800.079 800.5412@0.99 4997 4459 800.5412 800.5514@0.992654 8034 4866 4643 4466 4824 4490 4146 4017 6798 6866 5075 4962 8515 8768 11914 6851 5877 12513 7509 10185 7533 7470 5235 5398 8605 8358 6082 6494 4518 4703 4951 5097 5298 5584 4944 4804 4690 4422 6706 6505 5103 5564 7338 9886 8312 7531 9976 10174 6129 6217 6698 6683 6913 6933 9569 9887 4375 8403 9678 4391 10965 6117 8748 8231 6735 10591 7070 6856 6391 6366 8014 10815 9749 11519 11662 23907 23250 8835 8860 12855 800.5514 800.6007@5.092 2367 800.6007 800.6161@5.06825 5538 2726 6773 6638 2107 3604 4033 5391 7430 5432 6040 4022 6466 8146 4401 6851 7172 5699 7205 6950 5171 6014 5815 5757 6601 4714 4072 7535 6465 7871 7499 2635 7599 6929 6210 3487 5803 7094 7403 5723 5096 10078 10093 7407 800.6161 800.9897@6.478566 3594 4137 1870 3017 7017 7253 5349 5664 2089 1950 1743 2057 2039 3927 8944 8566 4137 4081 2567 2489 4038 10228 3682 4482 3224 3251 7974 2358 1576 3942 8981 11072 7511 2588 4554 4424 2445 4517 3498 2303 2936 1642 4097 5187 4842 5413 1459 3671 1760 4091 7492 2579 2208 6948 7170 4213 4344 2015 2249 4748 4106 4219 3083 2315 1949 2072 1896 5155 4973 800.9897 801.4678@1.189 4002 3732 801.4678 801.4783@6.475 3925 801.4783 801.4894@6.476946 2468 2961 4976 5348 2057 4505 3681 1936 3796 3238 2920 6978 7046 2822 2791 6251 7889 2720 2651 2555 2792 6273 4355 6573 5215 5284 3208 3128 3785 3149 2243 2746 3223 3747 2976 3163 3255 2963 2806 3364 3264 5131 3751 2903 5200 7038 7303 5280 4996 2514 3174 2887 4714 3262 5610 5823 3783 801.4894 801.5379@5.050667 558102 558995 413828 408768 41661 504162 500473 162230 382829 41599 212648 440650 477011 476832 509561 26397 60558 517916 55735 31320 31775 32336 540183 476796 62044 462248 583284 26170 26813 35970 35145 31007 45113 43327 48298 47946 32611 406354 33253 801.5379 801.5445@5.097 3111 3277 4033 4285 4725 3001 5263 4381 801.5445 801.5704@4.9884005 3718 4014 5437 4107 3398 801.5704 801.5804@4.991 8425 14583 801.5804 801.593@5.222 14814 801.593 801.8815@5.044 6614 801.8815 801.8972@5.049 4015 801.8972 801.9935@6.4714613 2592 2692 2382 5443 5205 3056 1217 3954 1950 8782 2737 4983 3013 1862 2690 2141 2998 2763 4696 4430 4687 4169 3996 3623 2641 2639 801.9935 802.0275@5.061 2726 802.0275 802.036@5.0516667 1657 2049 2959 802.036 802.0491@5.0565004 9077 9437 802.0491 802.4967@6.4675 3316 3852 5600 6217 802.4967 802.5426@1.0188 9331 9267 4130 4951 3376 3775 4206 5104 4461 2708 3157 6230 2654 4770 2741 8061 5188 4237 5285 3670 802.5426 802.5965@5.964 9864 802.5965 802.9999@6.4587502 4109 3747 2995 2804 802.9999 803.0018@6.4387994 1588 1618 2180 2347 1647 5426 2825 8362 6634 1731 1659 1793 2089 2668 2574 803.0018 803.0362@5.048 3283 803.0362 803.0444@5.0520296 6260 5700 3194 3286 3203 3135 2281 2678 3306 3259 2865 3057 2697 2513 3954 3452 3202 2414 6636 6080 3543 3008 3454 3725 4511 3942 4133 1915 2566 2154 5334 6025 4167 4111 5909 6748 4517 4223 3594 4376 6205 2531 2512 2252 5089 5106 4858 6976 6700 4060 4283 3114 3940 3751 3604 3290 2522 2702 2966 2784 3575 3108 4054 2318 2112 2721 3060 3116 2634 1869 803.0444 803.498@6.408 1994 2415 803.498 803.5057@6.443333 2426 2774 1691 803.5057 803.5413@1.0126667 5950 2794 3147 803.5413 803.5528@5.041125 512387 507044 424532 694997 578827 3280229 3069798 640447 567334 633306 446486 851348 3911157 558608 702212 573633 803.5528 803.6102@1.2025 5623 6030 803.6102 803.8395@5.4669 2172 2135 2046 2277 2267 2253 2359 2308 1959 2407 2458 2149 2084 2383 2523 1958 2352 2172 2326 2366 803.8395 803.8774@5.0453568 7217 4816 4435 5041 7965 7270 9192 6598 1368 6750 4916 5578 9793 5668 803.8774 803.8797@5.046025 7766 2610 3897 6385 7947 6985 1512 5860 3187 10348 6179 5368 7712 4226 4702 3662 3973 3963 4588 6077 4507 8239 7582 4858 10941 3308 8407 7470 8458 6336 4325 10542 14989 4713 4766 1592 3382 7450 6192 3140 2187 803.8797 803.899@5.045 5900 803.899 804.0036@6.4375 2834 10095 804.0036 804.0121@6.446696 5210 2009 8291 8651 8172 3675 3252 3205 3038 3161 2930 5169 1752 4154 2197 2920 3475 12069 9905 7448 7479 2741 10016 804.0121 804.0526@5.052365 37130 22032 46836 15938 32500 52808 29511 16531 37587 36757 17221 30314 12322 13688 44205 45877 43696 44145 54044 34737 36380 57033 14776 9118 27157 14733 19273 32184 35062 35638 17637 18798 54556 15323 30399 10519 41060 33511 33099 41722 10529 21201 52316 50373 45633 54773 52746 49318 32976 12603 24427 15123 27636 11249 11997 36801 13557 20656 22513 36176 17735 17575 33003 33021 18818 53836 16067 51012 58469 58032 13282 24614 48641 46608 17918 49094 49772 52242 16617 44569 42037 33671 18341 26866 14274 804.0526 804.2034@5.03 1224 804.2034 804.2268@5.046 3633 1424 804.2268 804.2433@5.05 2307 804.2433 804.2512@5.041 1589 4182 2164 2143 1334 1679 1643 1925 2566 804.2512 804.2859@5.044857 1325 2851 1538 1369 10217 8747 3093 804.2859 804.302@5.0485454 3281 1574 3633 1748 2090 1886 4948 1652 4307 1753 4418 804.302 804.3123@5.0435 2937 2359 804.3123 804.3311@5.049 3164 804.3311 804.3481@5.031 1116 804.3481 804.3621@5.041 1709 804.3621 804.5125@6.4448137 6059 6137 4111 5074 5003 2437 4749 2645 3354 3945 7357 7061 4794 5269 6689 6790 804.5125 804.556@5.0469995 221564 225116 175749 174628 226541 223092 173288 172951 210680 214361 96128 191649 200780 197670 217306 220507 220299 149399 225666 214277 193502 262253 179204 804.556 804.5676@1.199 9882 3195 3375 804.5676 804.6182@5.9557266 4057 4305 5170 5026 4318 3324 3979 4457 3719 6324 11977 804.6182 804.7962@5.0230002 1377 1408 1232 804.7962 804.8917@5.0471005 2193 1925 2874 1749 1950 4561 1407 3327 2989 3766 804.8917 804.8999@5.0346665 2770 1881 2420 804.8999 804.9169@5.045 2530 2139 804.9169 804.936@5.031 1906 804.936 805.0185@6.440166 4816 1823 4386 3572 1949 5224 4101 3434 3413 3251 2879 5581 3681 2683 4330 1535 2717 7213 805.0185 805.0601@5.061355 15321 13213 14443 13217 12038 12003 5757 11581 14330 13295 16099 14660 11354 11757 14921 12438 11947 9758 9155 9972 14795 15186 14385 13330 11043 13519 14716 12524 14615 14070 11652 805.0601 805.203@5.039 2007 805.203 805.2268@5.0526667 1719 2387 2861 805.2268 805.2508@5.0365 1015 2889 805.2508 805.2733@5.0482 2453 2920 2176 1851 2484 805.2733 805.2884@5.067 1313 805.2884 805.3085@5.067 2256 805.3085 805.3174@5.058 1558 2411 1395 805.3174 805.5207@6.44375 4866 2202 2299 3206 805.5207 805.5684@5.059889 622475 2241100 1655156 329655 471050 5599135 13986 90599 4161320 805.5684 805.571@5.023035 3840879 4893551 4064046 3872336 1330741 6392134 2071876 5959575 3454402 5541280 6313463 1266547 2946203 2478131 4475790 2475297 5668762 4998134 8640223 1520321 3208124 5412738 1737823 1973301 5547596 6333052 3331826 6016509 3369252 7041267 7392342 6361120 5961931 586582 3822256 746750 9777728 9865237 3246816 2998642 3801972 6131233 4811605 5198287 7964076 6636942 8106501 4639998 5247912 6340972 4313235 4293728 1357959 4874636 1966696 6000893 5909921 274143 8002587 5290582 6170062 8492954 1942241 1588000 6626226 6498292 6029855 6053939 9943136 9277782 3846903 4835052 4898301 6696841 6721696 6374156 8081890 8122446 6216790 6010125 4247535 4223904 4204544 1322 4507309 2678109 1.04E+07 2681398 1193918 805.571 805.5826@4.9760003 1176 1451 1281 805.5826 805.8893@5.0842 2020 2799 1905 2014 4179 805.8893 805.9021@5.0608234 29103 15081 9863 1666 4949 6690 27338 5089 4683 2678 29130 1344 14010 3843 1927 4185 1477 805.9021 805.9155@5.0318747 12093 15164 45287 18106 13946 30484 4132 3966 805.9155 806.0142@6.4213333 4369 4702 4850 806.0142 806.0255@6.432125 3355 5007 4510 4843 4899 5468 4118 3849 806.0255 806.054@5.012 10056 806.054 806.0677@5.072128 17757 44345 16764 15200 19589 18885 18310 17671 17803 17429 19882 17466 17887 8761 7733 14557 28822 17650 17048 16544 18823 18403 18614 18549 20775 20692 20196 48662 20219 50383 18498 16628 16798 17104 9250 13921 14944 14590 15686 55574 17565 18798 18247 61303 55835 18664 20007 20919 20516 17340 17102 16000 42534 17937 15906 806.0677 806.0679@5.0505 4950 12722 806.0679 806.1417@5.0295 10106 9324 806.1417 806.1595@5.0239997 3242 2566 10575 10949 25537 7878 13627 21514 806.1595 806.2154@5.0225 5004 4030 806.2154 806.2413@5.028 13997 12345 6084 806.2413 806.2607@5.0195 7417 16878 806.2607 806.2794@5.075 1659 806.2794 806.2862@5.049667 4055 20834 3808 1835 1564 5777 806.2862 806.2901@5.0456 9605 6062 27353 7550 2649 6981 5088 17162 1370 1994 806.2901 806.3143@5.0379996 7038 8953 3917 806.3143 806.3202@5.0456 10752 6307 25701 1433 5805 806.3202 806.3421@5.0424 3745 8342 5101 23582 1353 806.3421 806.3568@5.0615 1640 3198 806.3568 806.3758@5.078 5053 806.3758 806.528@6.438 2918 2966 806.528 806.5559@1.202 1791 806.5559 806.5693@5.0795383 864447 58774 94978 89627 1088872 12971 86731 156772 30159 167903 27361 38183 4760 806.5693 806.5707@5.10675 6556 15568 40237 57315 806.5707 806.5726@1.207 6542 806.5726 806.6345@5.9562955 7104 5295 5893 8509 8517 7280 7436 8161 8109 5004 4259 7996 7605 6972 11522 12086 8811 14330 14246 8979 11454 15035 18672 18970 8691 8885 12094 13669 6830 6618 9235 9106 9692 9298 9133 10242 17209 16965 18736 18601 9181 9055 7542 8126 13175 13075 17551 23916 9973 8781 13836 12501 9396 10996 11655 4882 7664 9576 9462 18546 4322 14571 15013 11376 11064 15999 14995 12706 20102 10696 9826 12043 11356 14928 16149 6920 91355 5545 806.6345 806.6357@5.948667 47550 20730 5287 806.6357 806.911@5.052579 9723 1070 3269 7298 1497 2393 3089 8353 10156 3190 17894 1642 5703 6149 8505 5184 7943 3880 2078 806.911 806.9228@5.0243998 38457 4423 11382 8074 49057 806.9228 806.9375@5.022 5564 806.9375 807.0482@5.02 4139 807.0482 807.0736@5.019333 3648 3271 5238 807.0736 807.0757@5.0768642 28174 31731 23665 33789 35498 44223 41525 32447 32589 39636 36299 17007 25822 27796 34467 34755 15753 31821 35168 15435 13410 14555 12099 29151 31365 39521 30536 13905 35997 34333 27976 42075 45962 42293 18819 48319 47089 29115 32001 45787 14729 19360 16851 38861 31698 13069 31601 30296 13126 11885 11713 12703 13153 15962 36415 28838 14655 16325 34337 34211 16694 37488 18620 45685 35472 32411 38790 36634 37451 16616 14609 37118 38760 42398 39527 36984 15615 16983 33496 16157 39395 807.0757 807.08@5.021 9434 6455 6120 807.08 807.1527@5.021 3107 807.1527 807.1552@5.0253334 2444 9818 4333 807.1552 807.2088@5.028 3997 3254 4281 807.2088 807.2216@5.0295 3591 5980 807.2216 807.2488@5.0645 4791 1213 807.2488 807.2633@5.03 6034 3420 1508 6826 807.2633 807.2771@5.0445004 5351 11143 807.2771 807.2852@5.0492496 2226 4144 4980 2334 807.2852 807.3053@5.0466 1625 2661 7360 11077 3533 807.3053 807.3246@5.0323334 2750 10132 12535 807.3246 807.3403@5.077 1297 807.3403 807.5439@1.20425 10699 9940 4395 4737 807.5439 807.5756@1.2066 3628 7732 6094 7821 7399 807.5756 807.583@5.11575 10651 64437 34020 137773 807.583 GPA(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 167368 326058 1926487 1256935 353831 823053 2569031 4696059 4895765 176334 400120 2880942 125737 313987 308631 125112 313253 176355 386986 435303 4146 737710 726896 68187 696250 262884 602525 317082 632200 178922 330549 1563317 960704 461076 1164303 2342004 576630 575635 400659 344270 9373301 1645058 LMGP10010004 807.5845 807.9053@5.0778575 3276 6710 8600 3478 4621 5146 3312 2317 1778 2027 4723 7997 2156 1339 807.9053 807.9251@5.062789 1915 4881 26964 17250 24083 10379 9019 12586 15042 5611 7254 14028 6799 1377 2806 5613 2239 3272 20028 807.9251 807.9369@5.024938 20335 6743 38877 32474 29267 27030 54961 16041 24358 34412 27218 11815 58361 31939 24429 9006 807.9369 807.9414@5.0175 52428 13904 807.9414 808.0225@5.019 3212 808.0225 808.0494@5.0175 8006 11712 808.0494 808.0652@5.034 10783 808.0652 808.0815@5.0751305 23172 26225 27765 19505 17353 17295 17256 19804 19814 25849 16003 18282 20447 21564 18692 23659 22780 19978 26128 24525 26232 23288 14746 808.0815 808.174@5.0225 4809 9781 4170 8070 6712 5487 9269 8625 4610 40997 808.174 808.2181@5.021333 5244 7345 2992 808.2181 808.2263@5.023 5204 808.2263 808.2621@5.0418572 11051 6316 23857 14240 6277 16867 4374 808.2621 808.2782@5.0205 1988 7838 808.2782 808.2818@5.059 12889 1084 808.2818 808.2938@5.0482225 21947 1836 5126 5158 16119 12221 7832 1284 3365 808.2938 808.3134@5.051334 8605 2852 5298 2358 12941 7119 17213 19743 3302 4398 9829 2811 808.3134 808.3232@5.05 4739 9625 3742 5829 32828 12660 808.3232 808.3437@5.057143 6046 7779 7920 2742 4447 9377 1698 808.3437 808.3585@5.059 11620 1852 11535 3650 808.3585 808.3785@5.0699997 3744 1474 1543 6301 808.3785 808.3919@5.064 4502 6800 808.3919 808.5846@5.146 47060 1974 12377 4704 808.5846 808.5868@5.09 145196 808.5868 808.5886@5.0518575 289151 102438 199752 46517 722030 797863 530229 595922 386827 42892 640138 117172 723149 350962 808.5886 808.6504@5.936 17056 808.6504 808.6514@5.931184 14025 15516 9188 8842 21416 22155 13256 13564 15299 15168 38522 12962 13380 17443 17265 15217 16083 28817 29473 13962 14051 10697 10273 25045 24195 17585 11946 18858 20470 19814 18779 18270 19064 18722 18148 21084 20806 11148 11674 32161 39670 10937 10645 18709 20022 21845 22525 28773 29485 19430 18096 13190 13910 46098 24597 20747 71237 31945 40736 48929 30965 25515 27122 20001 19071 23167 24603 16076 16626 47730 48624 22948 23510 16022 16778 24653 26582 10302 36146 30252 22160 22339 22700 14310 10630 48362 47231 89342 6935 11929 12488 808.6514 808.9068@5.077 3194 808.9068 808.9193@5.0579996 12728 3018 7214 10596 3646 3688 6650 4752 3525 1968 7304 3289 7790 2968 4957 2339 808.9193 808.9368@5.030667 12244 7491 5815 7543 11427 5741 7591 14723 14793 808.9368 808.9434@5.0486 1264 9481 2702 6198 6078 808.9434 808.9613@5.0195 6383 3267 808.9613 809.0276@5.0215 5479 4585 6809 9503 809.0276 809.047@5.0290003 2953 6527 8290 9774 7987 9655 18315 6142 6125 7455 5547 809.047 809.0515@5.0348463 9401 5722 4090 12269 8673 5864 2620 6455 9464 8087 16370 9467 12507 809.0515 809.0689@5.0436 6982 10648 19858 19922 9158 9830 3972 7431 4980 4741 809.0689 809.0874@5.073 9798 3660 4356 809.0874 809.1658@5.0173335 1554 5468 10465 809.1658 809.1909@5.018167 5411 8702 2666 5595 3955 2316 809.1909 809.2101@5.042 2985 809.2101 809.2246@5.0533333 1140 4021 3810 809.2246 809.2473@5.0602503 6336 4171 1700 2425 809.2473 809.2554@5.056167 1951 3733 3107 3291 3236 2411 809.2554 809.2919@5.0512505 3922 6496 3264 3826 809.2919 809.302@5.0416665 3383 2241 3026 809.302 809.3159@5.0380006 3642 3939 1743 4153 11212 5807 809.3159 809.3257@5.053 5161 809.3257 809.3316@5.0499997 4529 9429 2449 809.3316 809.3495@5.0783334 1960 2935 2553 809.3495 809.375@5.084 1181 809.375 809.3897@5.065 2404 809.3897 809.5278@5.448 7723 809.5278 809.533@5.4208436 3486 26155 24625 8402 9071 5727 5682 44116 42851 94390 87892 15327 14629 40957 40366 43963 42269 12190 12003 16449 16511 5897 5726 10039 10122 28480 29583 28182 26933 23983 23191 3844 2949 45565 47358 3195 5280 28101 28131 4629 3941 4543 4326 4078 4321 6048 5857 10740 12419 4415 3568 809.533 809.5442@5.315333 3631 3401 3684 809.5442 809.5476@1.835 8121 809.5476 809.5483@2.236 31137 809.5483 809.5492@2.3093333 2464 5231 10077 5000 13110 5348 809.5492 809.5494@2.2517593 44783 18030 23175 38585 49855 53089 22102 37637 11287 53731 15622 20770 15117 26248 22917 44395 41810 252169 23514 47155 70838 62383 23289 18477 121470 43146 15860 5489 41927 21008 34768 66438 11663 18142 61607 22847 7446 44164 90609 13252 29746 28557 47775 88795 89818 39500 30653 4551 9701 12004 44194 17691 8606 115967 25947 27009 49947 49345 2640 5196 11341 36809 8250 20597 26782 8069 3627 26725 11031 47456 41809 14071 16510 22780 20570 24439 21468 25996 7435 39168 19380 6322 809.5494 809.5494@1.736 2667 809.5494 809.55@2.2180488 19273 8610 2740 4704 6461 27060 292690 20208 7883 8632 69703 12506 5595 29319 22128 20692 9415 14365 11694 7434 30544 8158 5823 4300 34594 16371 22008 27697 31314 25347 8331 5666 26951 14725 17996 10367 6012 15643 7267 8508 809.55 809.5558@3.232 8252 809.5558 809.5565@2.7606897 22117 7541 23017 20405 23719 28301 18342 17812 21284 30860 13154 13228 17789 21056 13553 14090 28255 23550 133180 144014 29896 24794 29633 38729 21887 20995 69636 67999 22751 14539 34281 34413 10197 9426 31062 28656 11862 15217 24615 45204 18592 15604 22963 27192 52107 51953 22429 21319 10313 10441 19422 19305 27911 25978 17030 5682 56936 60832 13341 29430 25534 11687 12629 17331 13487 21146 8261 15179 17865 18853 18033 17575 17455 9130 27927 16886 11484 12215 11067 13503 12608 12206 11896 20287 21776 16270 15455 809.5565 809.5572@2.729875 16921 6999 7065 4740 3064 3411 4418 9562 809.5572 809.5998@5.1051817 5216 358986 7158 9561 114752 111904 40633 4110 115644 104837 75721 809.5998 809.6013@5.0645 130367 123424 368175 82948 809.6013 809.604@5.029108 2550455 45579 3007925 2678586 2712151 2626179 208177 2060777 3762826 2679427 177060 28257 3052165 3109621 2569175 2400936 2407982 3119072 2576571 1690191 11103 16830 2124085 233824 2476024 2148299 3408185 132959 91716 1526635 3531263 2602945 2609657 2750978 3318515 3536738 3589901 2063107 2386159 2754469 2483350 2458787 2967430 2941124 2313839 1550562 809.604 809.9232@5.0684996 1278 4102 809.9232 809.9455@5.0635 3762 1216 1266 1670 29938 21276 4438 1688 3719 7887 809.9455 809.9501@5.054333 16668 1696 3978 809.9501 809.9621@5.0874996 3003 1251 809.9621 809.9724@5.079 1351 1899 2454 809.9724 809.9962@5.091 2324 809.9962 810.0092@5.074 2064 810.0092 810.0108@4.50525 4545 4613 3735 3923 810.0108 810.0339@5.394427 5416 2016 22120 17991 8557 5965 6575 3542 3391 37645 30070 69009 66642 10347 10474 28111 27527 40157 29975 8365 9272 11283 11370 3704 4112 7017 8121 19395 19998 19120 17507 16313 15456 2586 2183 31006 33270 2509 2240 17154 17558 2801 2976 2802 3333 2484 2464 3748 3827 12279 9008 1119 9930 2546 810.0339 810.0396@5.2226663 8539 4160 3949 810.0396 810.0456@5.059 4961 810.0456 810.0577@5.0469165 5350 7337 6982 23959 4198 18984 6401 1080 5674 7829 5471 6635 810.0577 810.0608@5.051292 19623 18746 8124 4087 10850 12353 6391 4720 4477 15559 3944 3523 22855 5825 5858 4791 5783 10276 3989 2856 3613 4707 14851 3506 810.0608 810.0743@5.07 2848 810.0743 810.0779@5.055714 2429 2127 1657 2861 5048 5714 6653 810.0779 810.0933@5.0779996 1287 2348 1607 1786 1749 2194 2918 5869 1539 810.0933 810.1123@5.1 1087 810.1123 810.1896@5.0241537 11595 6107 27053 40410 9956 18716 22284 23192 1433 16175 23713 2098 7017 810.1896 810.1948@5.0264287 15013 4777 28474 6007 18453 11451 3563 810.1948 810.2143@5.0565 11805 2791 810.2143 810.2442@5.071 4011 2258 810.2442 810.2764@5.05975 3017 2176 6171 4162 1311 7968 1735 8030 810.2764 810.2883@5.0250006 8179 19239 5953 4878 5153 810.2883 810.2961@5.033833 8780 2150 22594 17357 2605 3574 810.2961 810.3158@5.012 10164 32451 810.3158 810.32@5.0314 12066 36096 5658 2823 14063 14340 11700 21132 1615 2864 810.32 810.3469@5.03025 16842 4591 8533 9517 810.3469 810.3507@5.037 6098 810.3507 810.3555@5.0298333 5335 20764 2404 4290 3846 12461 810.3555 810.3721@5.033 10933 8340 810.3721 810.3944@5.0352 4916 11423 5502 8594 6110 810.3944 810.396@5.03 4962 810.396 810.5143@4.5055 2663 3133 810.5143 810.5159@1.2013463 2325 2952 3258 36545 35281 4968 5764 6654 6586 21709 22924 2723 2758 4647 4410 10088 10591 8283 8475 3074 3335 6089 5874 15314 15259 2768 810.5159 810.553@2.2435262 5366 3996 12445 8873 5416 14653 20438 4219 16797 8227 5253 9345 10047 33289 9878 13388 7791 3938 16964 810.553 810.5582@2.2385 4080 9888 810.5582 810.5603@2.7451668 3505 6877 2733 12437 4704 2837 810.5603 810.6005@5.111 5059 10953 810.6005 810.6063@5.020535 1211743 595155 1013657 1813547 1763982 1510078 959719 1199072 1604757 1568001 2206223 1443129 425940 513090 980139 1905752 1751090 961535 820978 674140 2142865 1378791 554501 567548 1302742 1768932 1785212 2295293 529668 532641 676674 696560 1424288 1367395 1526662 1902371 2242008 1803016 1514702 3272 3177511 2967573 1242910 658419 658412 979549 1085481 1318636 1484713 1614508 1626576 943059 970650 82886 2053625 1454517 810.6063 810.6664@5.96575 4058 8968 2178 5990 810.6664 810.6686@5.9169455 65313 67129 93650 50128 90131 92924 66382 110205 73207 73535 187367 182432 64487 66636 113442 66105 140408 78949 117004 184832 118535 66864 80029 68402 176049 175064 84433 147355 173712 201236 100565 169539 120157 119097 77490 78376 72760 108689 122293 124379 80600 83990 44108 50699 170082 95906 188593 189332 198763 122995 194671 202798 125679 73700 93878 106693 98652 106658 104272 103237 104209 101455 161063 167090 169036 94715 157331 142854 139762 182985 188976 158851 94914 66366 141942 181026 177607 176292 125901 179964 179816 112128 112989 167996 156641 156870 155799 199461 417904 54746 104163 810.6686 810.8236@5.092 1837 810.8236 810.8398@5.07875 1644 1596 1285 1941 810.8398 810.9192@5.08 1383 810.9192 810.9363@5.0445004 5266 5507 2073 3119 810.9363 810.9539@5.0220003 26660 19990 26992 5423 31176 23501 3120 32648 22042 22541 34215 2498 17302 18039 14309 37050 32165 810.9539 810.9692@5.015333 28985 34856 33015 810.9692 810.9754@5.078 1288 810.9754 811.0232@5.071 2015 811.0232 811.0373@5.0415716 8289 3595 11441 4250 7851 8007 15807 811.0373 811.056@5.0403757 7075 14759 18407 12183 26200 21475 13273 15454 2343 4470 9262 18515 27871 11772 15769 25045 21345 9501 5112 7743 8535 10632 1828 5177 6332 9415 2234 17089 12623 16178 6244 13980 6658 15546 4786 10566 12637 7266 9147 16727 811.056 811.0771@5.0371666 5587 8577 14024 2975 7474 1967 811.0771 811.0962@5.046 4513 4357 8671 1597 811.0962 811.1609@5.013 3159 811.1609 811.1932@5.0381665 7978 18009 7963 7625 2316 4813 811.1932 811.2017@5.0252 2028 13120 10203 13080 32078 811.2017 811.2139@5.017 23369 811.2139 811.2313@5.0540004 2437 3768 1642 811.2313 811.2623@5.034222 6793 2533 7307 6830 2966 8944 4035 3416 3572 811.2623 811.2705@5.035 6089 811.2705 811.2824@5.0305 9628 5614 2487 13918 811.2824 811.2926@5.0215 7107 31618 811.2926 811.3003@5.0248003 12931 17437 8236 2302 9374 811.3003 811.3259@5.0165005 24232 20086 8170 5611 811.3259 811.3328@5.0315 7184 1614 5556 3061 12012 2142 13098 3693 811.3328 811.3574@5.03075 9425 9346 5128 8119 3250 8978 6384 2489 811.3574 811.3684@5.039 4478 5093 811.3684 811.377@5.02125 16957 11404 8496 6021 811.377 811.3903@1.162 17961 19700 811.3903 811.3969@5.0115 13831 14875 811.3969 811.5555@2.1894999 11685 5248 811.5555 811.5591@2.293 4743 811.5591 811.5677@4.973 5372 10139 2883 811.5677 811.6051@5.132 3948 6075 7696 811.6051 811.6097@5.041159 596070 522940 1056902 867597 455680 947743 964270 621096 1102354 618000 1012434 948123 710679 699458 827391 873517 940882 927163 1076361 662375 1058996 1145742 663088 701699 844981 675484 1224108 588176 564120 545764 544016 958149 1136837 1062421 1096351 816791 753542 801140 508994 483600 1190281 1232176 1205993 890937 883951 1225706 1208325 1133010 1016408 737765 811.6097 811.6648@5.9115 29550 243614 811.6648 811.9352@5.045 4669 811.9352 811.9455@5.045889 13191 2754 4774 4776 16288 1677 1171 9256 8741 811.9455 811.9558@5.036455 3968 2380 19741 3664 12671 7813 9569 12477 8402 16586 9225 4738 6326 15706 19033 12392 4837 1986 18586 15953 17815 11263 811.9558 811.9629@5.071 1555 811.9629 811.975@5.031091 15775 21968 24865 7652 16012 4221 15338 7318 16270 1196 18902 811.975 811.9891@4.987 7538 811.9891 811.9925@5.024 4378 811.9925 812.0061@5.0435 4879 1532 812.0061 812.0084@5.4307003 4071 8855 14871 20889 4628 5132 13567 13965 14870 6546 5995 6565 7705 7065 6920 16593 16138 9253 8975 3620 812.0084 812.0184@5.016 6007 812.0184 812.046@5.0516 12608 8695 5910 2910 2080 3985 2764 4597 8968 2181 812.046 812.048@5.039 5955 9973 812.048 812.058@5.0412006 1763 7328 4803 7848 5443 2944 4674 9399 8203 4999 812.058 812.0661@5.043 12725 812.0661 812.0804@5.0369234 8635 2449 1945 12793 18687 6637 5578 1377 7092 2474 12216 5209 21053 812.0804 812.0879@5.0397143 3930 14201 6218 4843 3956 10543 4665 812.0879 812.1137@5.0465 9091 1560 812.1137 812.1244@5.028333 2945 5997 4914 812.1244 812.1506@5.016333 11599 4219 11155 812.1506 812.167@5.021 7047 812.167 812.1807@5.0355 6678 3171 812.1807 812.1908@5.03075 13641 8320 15399 7482 12405 13208 10510 2763 12177 14689 8359 9072 812.1908 812.2091@5.041 5959 812.2091 812.2295@5.021 9786 5470 2923 11048 7880 812.2295 812.2353@5.0175 10904 10112 812.2353 812.2563@5.0369997 4944 9790 812.2563 812.272@5.0302 8613 5725 6323 3459 5591 812.272 812.2813@5.039 5553 812.2813 812.3037@5.0326247 8949 9251 13373 6422 9465 2426 8299 7439 812.3037 812.3103@5.017667 8490 6495 12298 812.3103 812.3278@5.0336666 6942 9049 1539 9563 7367 4110 4532 5116 8085 812.3278 812.3418@5.045 5766 812.3418 812.3563@5.0368 2726 5046 4110 1383 4259 812.3563 812.3646@5.013 3595 812.3646 812.3658@5.039 1606 8140 3195 9656 1132 7730 812.3658 812.3932@5.0298333 5323 8753 1871 5914 6562 7439 812.3932 812.3972@5.0225997 2335 5709 8716 13545 3216 812.3972 812.4205@5.0235 4448 5336 812.4205 812.4347@5.0243335 6290 6105 6096 812.4347 812.5133@5.4318695 5052 2557 6257 10708 14017 14621 3175 3255 18798 9092 10585 10813 4317 4688 5219 9997 9163 5125 11647 11524 6051 8360 2497 812.5133 812.5762@5.182 7323 9556 812.5762 812.611@5.099 11731 812.611 812.6173@5.048964 364848 361063 358483 209189 259768 257868 193544 70800 296600 353349 408049 3339 369008 1845 290587 216501 298751 299003 239687 235730 238144 203211 305277 387949 173965 213988 162589 163176 812.6173 1,2-di-(9Z-hexadecenoyl)-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol 44379 45457 43143 45945 46054 42687 48231 48532 44747 43708 49583 68402 70281 58059 78447 70162 42852 42059 37001 63177 61045 42034 42645 72653 75281 58524 67535 66467 93851 82612 98550 89765 59854 58951 59159 3695 58238 114846 114943 66883 65259 73847 69291 72941 4627 94153 93901 49227 812.6819 812.8345@5.01 6926 812.8345 812.8555@5.050667 6280 1444 1031 812.8555 812.8674@5.076 1341 812.8674 812.9334@5.0115 3070 2521 812.9334 812.9505@5.032111 4338 2864 4487 4487 7344 2239 13748 5103 2378 812.9505 812.9641@5.0306 3988 7017 8769 4387 3641 812.9641 812.9837@6.422 5583 812.9837 812.9959@5.023 3121 812.9959 813.013@5.432 2520 4183 813.013 813.0139@5.1005 2334 6199 6741 4639 3017 1563 813.0139 813.0344@5.0206 8341 3526 5391 8224 39985 813.0344 813.0415@5.0146666 40936 9712 20163 813.0415 813.0611@5.0399 6814 5098 3823 2243 6154 4511 4464 11214 2002 7609 813.0611 813.0661@5.0581 4420 4257 3956 3311 2345 9549 3981 3868 4871 3111 8620 2519 8519 2225 9471 7610 4597 4093 2697 7994 813.0661 813.1002@5.0315003 8136 4418 7136 1436 5421 5446 813.1002 813.1124@5.024222 8010 8988 4607 2900 6933 4643 5078 4815 8696 813.1124 813.1251@5.0235 1838 3924 4286 6094 2853 3061 813.1251 813.1412@5.014 4184 813.1412 813.1798@5.0332003 3593 7360 2023 4683 6872 813.1798 813.203@5.0227776 1305 5145 2765 6326 8155 7423 5767 3668 5549 813.203 813.2081@5.047 1845 2963 1796 6065 1167 813.2081 813.2325@5.0155 3672 2095 4463 1312 6445 4847 813.2325 813.2437@5.0255003 2620 5571 813.2437 813.2608@5.023 6292 813.2608 813.2719@5.0302496 6650 6250 6143 2933 813.2719 813.2864@5.0322504 6042 3478 4171 3749 7803 8396 3368 5301 813.2864 813.3033@5.037667 4600 4714 3779 6499 6853 3437 813.3033 813.3294@5.0351667 2592 1524 10476 5500 5813 3675 813.3294 813.3339@5.023 3226 813.3339 813.3441@5.0316663 5812 1879 2102 813.3441 813.3595@5.017 5009 813.3595 813.3723@5.0361433 4216 2205 9530 2407 3224 2638 3249 813.3723 813.3935@5.021 3614 813.3935 813.4124@5.031 1915 1532 813.4124 813.5647@4.972 5992 813.5647 813.5759@4.97925 2360 3334 18808 1603 3869 4868 4107 7518 2975 12473 4240 4551 2545 2588 3016 2158 2108 2208 2899 3100 3526 3331 4116 5435 3661 3963 4192 4840 4065 6919 6154 5352 15751 7269 8005 6664 813.5759 813.5942@5.0275 16413 4298 172582 128544 164688 60996 284167 207053 813.5942 813.6075@5.0075 184524 165698 813.6075 813.6198@5.046143 113176 123371 106002 93938 75227 76903 75283 813.6198 813.6871@5.9162498 24558 24256 11443 26115 813.6871 813.8184@5.0135 3234 1939 813.8184 813.8346@5.0145 3593 7220 813.8346 813.8508@5.019 2326 2145 813.8508 813.8719@5.0327997 3057 5114 4151 1369 8325 813.8719 813.8883@5.0205 2118 3945 4377 1976 813.8883 813.9126@5.015 4202 1727 1228 813.9126 813.9354@5.028 2581 813.9354 813.9519@5.021 2786 813.9519 813.9601@5.0340004 1671 2301 3150 2543 2473 1315 813.9601 813.9808@5.022 1352 2116 3570 813.9808 813.9935@5.0358 2683 2205 2274 3237 2388 813.9935 814.0177@5.031 4339 5812 4679 814.0177 814.0386@5.0356665 5978 33531 3530 7489 2433 28728 814.0386 814.0453@5.0350003 31288 2866 7451 5266 9243 814.0453 814.058@5.0383754 12415 2403 14245 13891 1927 26115 1734 2695 814.058 814.0696@5.0351253 2815 12297 2452 3493 33492 3713 1676 2175 814.0696 814.099@5.0474997 1979 2727 814.099 814.1137@5.0410004 2343 3043 814.1137 814.1299@5.0386667 1874 2986 1956 814.1299 814.1634@5.0342503 2225 2547 2807 2097 814.1634 814.1795@5.055 1478 814.1795 814.191@5.042 2501 814.191 814.2256@5.022 3966 814.2256 814.2305@5.02725 2401 2541 2824 3305 814.2305 814.2541@5.0455 2877 3007 814.2541 814.2781@5.0395 2811 3337 814.2781 814.2962@5.0307503 2338 5017 1781 5681 814.2962 814.3068@5.019 1912 814.3068 814.3458@5.0369997 3358 4189 814.3458 814.3565@5.016 4574 814.3565 814.3894@5.014 2424 4043 814.3894 814.4207@5.0415 1335 1917 814.4207 814.4868@5.436933 4792 11481 12125 3426 9290 10374 9796 3760 3884 4202 4453 10802 10678 6406 6146 814.4868 814.5804@4.9899287 1508 1398 1265 1272 2524 1797 2328 2669 2219 1761 5743 6346 2015 9099 814.5804 814.5876@5.0097 4380 7344 2860 8757 11055 6299 11415 7381 2238 11190 814.5876 814.6088@5.0276003 7846 4488 6875 8503 8533 814.6088 814.6185@5.0724998 2234 2286 12456 8238 814.6185 814.821@5.008 1958 814.821 814.839@5.039 3044 814.839 814.8586@5.02 4582 814.8586 814.8905@5.023 3524 2447 814.8905 814.932@5.008 2152 814.932 814.9873@5.4372354 2872 2862 8107 7938 6126 6158 6529 7016 2167 2614 2864 2658 2899 7588 7393 4144 4353 814.9873 815.0001@6.439769 2000 2720 2817 2506 2164 2283 2257 2379 3184 4150 4226 2881 3779 815.0001 815.0052@5.034 2107 815.0052 815.0393@5.0414166 2218 2803 3745 3803 3698 3636 3645 3729 3176 4872 3508 3212 815.0393 815.0782@5.014 2979 815.0782 815.0888@5.012 2324 815.0888 815.3017@5.02 1972 815.3017 815.4152@1.2085 6879 6214 815.4152 815.5038@6.4379086 2035 2489 2362 2219 1918 3517 3464 1996 1827 2329 2560 815.5038 815.5746@5.022 67848 815.5746 815.5867@5.009333 32429 89494 183017 73632 137253 73511 174969 151558 88746 136446 170064 382028 3945 173269 200682 815.5867 815.59@4.950809 3846 4050 3358 3710 4324 4536 4852 4706 2992 9229 3884 4322 3409 7234 4486 3291 2797 11209 9181 5251 4595 4879 5418 3345 3122 7836 7122 4343 2953 8660 7984 9628 2870 7333 7441 2083 2461 3771 4958 8970 9619 7736 7873 6923 5916 4803 13865 12611 2549 2393 5345 8663 815.59 815.6172@5.111 15741 815.6172 815.6214@5.1258574 49516 45864 44011 48901 54146 50745 52767 56447 46479 50039 60053 58111 70147 35719 36416 36888 56541 51800 64884 50890 37439 32241 23316 23442 32608 46887 37590 40121 40526 43143 50669 52648 58131 63260 54340 54004 56821 55714 54821 42622 65089 63155 54721 54008 46147 42885 38533 45531 40334 40402 38263 36011 32594 33378 35550 38452 38204 34471 53461 47849 59391 64703 59364 56394 62064 59729 59088 58983 63217 63728 46744 46472 40631 44221 38539 40984 38942 36737 41619 44677 45432 46361 50192 52834 45346 48137 53077 57867 57618 58318 48816 47406 815.6214 815.64@1.5016667 6710 9105 9551 815.64 815.7026@0.96175003 18982 19012 22428 22886 815.7026 816.011@6.4305205 2488 2588 1772 4802 3219 3232 6270 2478 3190 2921 2725 5756 2661 4075 1665 6581 7442 11289 8310 7234 2835 10402 10588 816.011 816.0526@5.0371103 25064 31687 7759 20939 24745 7223 6767 6792 23707 25775 24490 21843 5958 11907 19504 25961 26595 6264 32984 6537 13143 23782 23961 8045 24491 14813 24967 27704 17132 25813 22751 4993 18853 27069 28595 5267 6958 26002 8103 18099 25779 25843 25811 25240 22376 21877 16182 4334 24806 4582 23015 9257 28462 10368 28921 29185 25001 26161 25566 10669 10843 26472 24785 19824 13006 14485 22872 6858 25759 6932 27332 26508 23476 23870 23379 17045 25589 22034 22911 32539 5183 816.0526 816.2278@5.014 2599 816.2278 816.278@5.007 1759 816.278 816.3451@1.161 14818 14388 816.3451 816.5045@6.4296665 4032 3728 2470 1847 2345 2010 1963 1841 4414 4680 5945 5996 2189 3085 6706 816.5045 816.542@5.394 3682 9689 10137 5715 5600 6618 6064 6503 6644 4344 5404 816.542 816.5761@5.03 22787 21656 19298 12853 12892 12748 11241 23297 23696 11000 18961 10477 816.5761 816.5828@1.6353334 11405 12414 935419 900532 12111 12200 6637 7178 24186 24616 313904 348897 816.5828 816.5917@4.961 5319 3141 5676 3654 9036 3042 3891 816.5917 816.5949@4.949 3125 816.5949 817.0167@6.425066 2785 3260 2972 2603 3153 3374 3942 4575 4948 3638 2894 2930 4178 3009 3144 817.0167 817.0416@5.393 2703 8082 6699 3732 3717 4828 3966 4355 3910 817.0416 817.0614@5.0404615 6473 9063 7898 8087 8948 23828 7009 7791 7711 7271 6088 19166 5663 8018 22676 5417 6115 19067 24365 3234 22478 22514 7721 8125 7190 7340 817.0614 817.327@5.002 3093 817.327 817.5116@6.413 3952 817.5116 817.5202@6.4263754 2558 2781 2982 2842 2102 1508 2498 2548 817.5202 817.5795@5.0432854 40558 64843 57697 57155 70172 44016 47441 51359 55039 61037 46568 46236 45697 60197 817.5795 817.5943@5.0183334 49216 23712 56207 29270 92330 94376 817.5943 817.6021@4.992487 119961 97944 43444 98485 85335 57978 129736 63594 171134 72321 17146 78829 38763 161270 44776 83475 66305 65693 69545 28090 112851 82030 17950 21805 118588 36450 101973 140223 50261 31842 188316 186613 17696 142033 52113 117498 53632 817.6021 817.6278@5.1222496 18804 19670 16763 16890 817.6278 817.7226@0.9595714 12375 12550 10620 10709 19812 19387 5665 817.7226 817.9152@1.638 2580 817.9152 818.0688@5.0431113 15761 9545 19601 16013 20102 16834 17568 16024 19216 7317 15533 18657 19743 16647 8971 17385 9685 16477 10745 11954 17620 16589 15950 9111 19787 19763 15817 818.0688 818.5832@5.0355196 14253 14430 12956 19612 11379 6300 14809 15016 13750 15934 13527 14478 9790 10794 12321 11494 11857 17583 14264 15793 13226 18149 13820 12850 16271 818.5832 818.6078@4.9907336 15552 42331 14169 24211 7709 36427 16054 24115 25703 48187 14776 13105 10865 15481 15398 818.6078 818.6314@5.1191 3503 4438 5162 6009 4192 4182 4296 6075 6322 3210 3259 4073 6727 5406 3649 4248 4787 4218 4651 4137 3832 4399 3478 3882 3881 2931 3772 5019 5242 4902 4585 4412 3767 4368 3602 3827 4862 4514 3765 4620 818.6314 819.0756@5.0536356 5349 10710 11965 6508 12000 6677 10187 9486 9665 11580 7744 9141 10070 10748 10964 6824 13540 7963 16308 9034 10319 7004 11384 9040 10181 12617 11741 9041 8291 5916 9855 4131 8337 6495 9738 6208 10216 11018 11906 12489 10222 9639 12518 9266 5430 8384 8415 9355 13581 12045 7278 7116 12243 12173 8496 819.0756 819.5187@5.1585 9085 6224 819.5187 819.5302@5.164 6685 819.5302 819.5411@5.1591997 8944 7656 6933 9997 8424 819.5411 819.5588@5.0664287 34219 24191 18249 8411 4957 1989 26090 26916 10223 24032 12129 16460 12668 8798 819.5588 819.5635@5.065649 14128 24870 11609 20055 24138 33663 25357 15040 11939 2205 2585 15978 14702 16611 29445 14603 24464 22533 1835 22653 16030 2604 17833 23834 20651 23533 28472 15532 15762 38162 33182 29761 26726 31931 4196 14623 17616 819.5635 819.577@5.0439997 16768 23026 31325 28082 24973 25620 37502 819.577 819.5904@2.6985 10784 4282 819.5904 819.5904@3.053 7977 819.5904 819.6037@5.00312 26052 20815 83807 82860 28358 171278 127138 195035 96784 129347 130956 65294 126127 125670 107748 84338 328708 30816 66167 96494 156701 221966 105484 101923 203890 819.6037 819.7367@0.965 16694 819.7367 820.0738@5.061 5283 5786 820.0738 820.0839@5.0629463 4229 4634 6286 6035 6648 5099 4702 6028 8197 5588 4557 3608 3569 4336 4677 3989 5085 5616 5971 820.0839 820.5519@1.212 4237 820.5519 820.5614@5.06 5722 820.5614 820.5803@5.064158 5276 4696 7061 4705 6101 1830 6230 8087 3119 2810 13310 3805 1352 13763 6663 5987 6591 17891 6618 820.5803 820.6079@5.0089684 51278 11488 18304 26502 10660 14485 26123 33661 58088 24000 178332 11018 41832 40552 82203 90348 86564 160470 125130 9216 13634 29866 36990 24894 56320 20631 27352 22796 30467 24119 14214 14367 820.6079 820.6097@5.003 10401 820.6097 820.6114@5.00008 19183 11491 11768 10019 9801 11250 17776 13229 15716 17310 10814 13168 13418 12416 10267 67856 27175 26267 41002 14477 16023 20377 42758 35657 21182 820.6114 820.7405@0.962 6443 6842 5492 5390 820.7405 821.0864@5.069 1970 821.0864 821.5285@5.1646667 10384 6860 4502 6304 8373 6132 821.5285 821.5314@5.1528 10937 6976 3564 5907 3927 4279 4812 3797 6335 6232 821.5314 821.5596@5.0863895 16426 18734 19510 22494 25855 23167 17556 21404 21184 19666 12453 16704 25566 26259 25313 18240 23185 22115 821.5596 821.5604@5.083769 15685 12617 13809 20137 24366 19142 17610 33058 32097 20013 10812 7921 25725 21164 20804 15935 5950 22062 17087 25561 24309 4490 33084 5907 15855 17694 18531 21716 21493 44073 16544 18990 11246 23723 24151 24506 4415 22830 19038 34224 31622 15235 16947 821.5604 821.5747@5.08 24515 821.5747 821.6139@5.021 9273 31869 9892 49864 821.6139 821.6277@5.001287 18263 44380 14337 62952 78778 85491 81400 52268 86043 84054 17925 46488 66364 41608 34324 36646 55243 66316 67582 48057 13022 68664 43267 78280 78535 52819 51497 51591 53555 66511 18238 40306 40080 38169 10136 22855 143787 15655 74432 65400 21477 81145 84193 19762 90187 50056 49333 64010 64196 106963 106199 63251 34046 80073 91810 95079 95045 60029 13108 821.6277 821.751@0.96449995 12176 11495 821.751 822.0694@5.0104547 7872 5597 8120 6922 3365 3630 2540 3471 9378 12948 2895 822.0694 822.3779@1.120238 3441 8968 8911 9177 9323 7715 7332 2317 2698 2785 3150 5692 6051 4315 4053 12233 12393 5381 5224 5374 5108 2079 2359 6548 6024 2774 6760 6409 2543 2376 3879 4418 6045 6027 3263 2928 3071 2652 5659 5965 2527 2641 822.3779 822.5266@5.17 5711 822.5266 822.5625@5.08175 2915 4030 3200 1915 2839 4311 3678 2428 822.5625 822.5679@5.07925 3294 2441 2220 3422 3667 11790 3896 2441 822.5679 822.6112@5.0053334 22776 10061 10259 822.6112 822.627@5.003375 12955 31350 10196 13240 38368 8860 16782 10384 18183 11687 31915 10680 36284 34574 8605 29911 13596 43069 16952 10115 54761 22583 15527 16686 822.627 822.7553@0.959 5844 3877 822.7553 823.0784@5.0132275 2718 3162 6655 2892 3117 2727 2555 2849 2881 3379 2701 2800 2814 2854 3177 2572 3260 2490 7305 2512 2800 2771 823.0784 823.54@5.166 4106 4223 3807 823.54 823.557@5.102 2602 823.557 823.5609@5.0808 13744 11928 14911 13691 8062 14047 9413 11768 5441 11939 9458 10759 11926 11261 10385 14745 10305 8088 40385 9299 12409 12073 13583 12480 12414 9754 14426 14487 11221 9712 823.5609 823.5683@2.109 18795 6426 823.5683 823.63@5.002762 19768 19045 23227 15710 25163 18105 24121 24152 11368 24985 21865 22343 13527 23493 23194 25824 43578 25484 26644 16117 15289 823.63 823.6449@4.979 5807 823.6449 824.0872@5.0123143 3241 4557 5157 4736 6213 6057 4742 4699 4838 5627 4659 3614 3232 4934 3748 4082 4668 4214 6029 5752 4769 4071 5838 5784 4895 5405 3829 5401 5175 4421 3543 5325 4549 5113 4716 4938 4051 6173 6840 5541 5308 5744 5114 5879 3975 4108 4477 6405 4594 5173 5101 4974 4975 5497 3700 4956 4559 824.0872 824.5293@1.2 4990 5129 824.5293 824.5571@5.078 6633 824.5571 824.5647@5.079 2689 2976 5555 5778 5618 7425 5461 7182 5730 5065 5206 10812 6976 6833 824.5647 824.6244@5.0013337 6493 13362 14737 824.6244 824.6361@5.007556 6905 7446 6439 9661 9031 6408 6836 8111 6674 6490 9249 8413 9273 9001 8410 15909 14083 7412 7311 13293 12355 11746 6149 8141 6250 7120 4840 7194 9015 7343 12011 9687 12197 10900 14833 5657 8871 7121 8328 10046 10166 11296 11120 12814 18125 824.6361 824.6473@4.9965 24252 23255 824.6473 825.5477@5.0266666 216910 3831 9177 825.5477 825.5645@5.032583 7175 7411 7667 6203 139736 215474 6706 12541 8851 12498 5961 141803 825.5645 825.5691@5.0273337 6943 6841 6110 4763 2753 6525 231543 4720 3082 3560 2976 5251 825.5691 825.597@5.031966 4494 2834 5723 8468 5955 2104 1959 13222 8903 4704 2988 3151 3362 11182 10455 4806 12792 11245 6299 6330 8228 8887 3616 4536 1551 3145 3102 5390 3301 825.597 825.61@5.0205 6155 5029 5694 6813 5133 14062 6449 8022 825.61 825.6339@5.0285 3554 4370 825.6339 825.6454@5.015 1669 825.6454 825.9051@5.017 3798 825.9051 825.993@6.421 1971 1682 825.993 826.5331@5.021 1610 826.5331 826.5421@5.024429 1800 1643 3434 1220 1848 1724 2325 826.5421 826.5603@5.028 1801 2065 826.5603 826.6136@5.028 3813 826.6136 826.6343@1.196 4702 826.6343 827.003@6.4195714 2422 3888 3798 2445 2506 2717 4969 5830 5679 5314 3578 3019 5787 5358 827.003 827.5013@6.4166675 3493 3636 3321 3659 4271 3946 827.5013 827.5108@5.513 5742 5879 827.5108 827.5519@5.019137 204702 600485 493368 724237 9588 731330 144507 829108 854760 734884 558699 917351 917483 3780 904133 180508 3435 656708 660757 663307 512349 1072045 675041 868896 5872 850661 833163 565532 664009 893213 925064 561248 776266 714701 880392 521784 895925 896145 829462 874373 384096 386297 694379 773711 733993 785607 711466 926415 914701 582771 573388 827.5519 827.5532@5.073 7470 6300 827.5532 827.5684@5.085 3918 827.5684 827.5961@5.0905 19571 1940 827.5961 827.8947@5.02675 5535 1879 3907 2706 827.8947 827.9065@5.02 4478 827.9065 828.0548@5.0212975 3295 3604 3469 2975 2871 2846 2565 2857 2033 2104 3813 3706 4734 4698 1978 2101 2264 2422 4492 4472 1996 5755 5948 3040 3024 2888 2464 4569 3954 3363 3230 2301 2056 53681 5692 2421 2449 2936 3106 47471 6583 4716 4708 3613 3902 6578 6592 2544 2602 1908 1993 34409 35195 5102 5383 4557 4717 2742 2804 3269 3186 13723 24773 2453 2487 2946 2853 3592 3170 3110 3531 3134 4220 3786 3046 3555 3334 4466 4419 3543 3550 2991 3174 1785 828.0548 828.0603@5.023 2071 828.0603 828.2731@1.1725 3329 3880 828.2731 828.4736@4.159 4757 828.4736 828.5558@5.036125 4849 69091 104320 112124 105480 4757 4771 70986 828.5558 828.8753@5.022 1195 828.8753 829.06@5.0197887 4455 4516 4694 4400 4031 3749 4140 4206 3703 3903 5497 5829 5575 6052 3453 3907 3719 6139 6027 6716 7136 4301 4435 4106 3892 5782 5223 4998 4744 3534 3564 3094 3304 6729 3555 4681 4605 7811 5502 5923 5177 4990 8425 8674 3843 3944 3166 2753 3138 3184 6758 6282 6780 6893 4050 4181 4617 4445 3511 3406 3569 3464 4341 4252 5726 6618 5453 5595 5659 4276 4448 4711 5236 5243 4958 5052 4975 4555 3275 3119 829.06 829.276@5.019 2823 829.276 829.5671@5.008273 561487 911859 891458 1041837 1024300 235252 286897 1137589 248411 1245299 1239531 829.5671 829.8044@5.026 2129 829.8044 829.9035@5.0183334 3835 2176 10836 829.9035 829.9171@5.0024996 7283 1349 4953 1741 829.9171 830.069@5.0134044 25019 28194 18668 24599 36465 36928 32112 8319 8262 8130 34554 17667 26962 29079 30795 37789 7873 10824 38934 8164 7976 10531 10457 34337 33650 34707 35854 33031 35973 37366 34642 33757 32872 7486 7719 6009 5837 44663 5680 20871 34535 36046 25871 35693 37753 32807 43920 25905 28875 28793 29892 6500 24719 6833 7206 19583 36477 39546 38838 34779 40820 36188 35921 32829 40150 8104 26382 27390 26133 25118 44665 30762 36993 37904 31746 31362 35715 37928 36668 36608 9635 41002 33772 7473 830.069 830.2619@5.007 1709 830.2619 830.29@5.015 4337 830.29 830.3199@5.009 3524 830.3199 830.3332@5.018 5119 830.3332 830.5696@5.0176663 66886 59396 77509 830.5696 830.5721@1.0174999 4721 5530 830.5721 830.6274@5.9218335 24223 13688 5771 25409 23850 8770 830.6274 830.8075@5.009 1300 830.8075 831.0762@5.013315 9412 9061 9266 8849 10496 9756 8760 8020 6589 6827 15079 7131 8854 8671 20850 9259 10480 10554 8381 831.0762 831.0784@5.013 9856 831.0784 831.2395@0.97932243 28339 26698 28583 27917 29656 29854 19911 19690 20383 20321 28043 25993 19215 19088 22485 23265 28830 22891 50124 50517 20969 20615 20161 23625 22037 20831 13837 13484 39945 42154 15601 14851 19517 20162 16686 16201 11774 11330 14197 13833 8596 8865 12384 12910 12376 11669 16539 16061 22338 21562 11920 11239 13049 14356 44661 43786 11174 10992 9523 8782 19404 20337 14724 15459 14907 15447 9886 10118 10003 9831 18987 19482 20148 19363 19631 19120 10261 7614 9350 4599 11827 18742 17935 17330 16506 20033 16397 16032 11621 11445 15186 15394 831.2395 831.4599@1.0439999 2203 2360 831.4599 831.5411@5.569 20643 831.5411 831.5449@5.5749097 11917 12864 4408 25845 6880 6837 20902 20874 25596 25286 8271 9020 9941 10635 10568 10275 28404 28545 15555 15171 5926 5260 831.5449 831.5832@5.0610003 56260 4722 28462 831.5832 831.5847@5.026185 110346 459363 10758 1347514 39181 32573 17830 537602 23520 438906 2115719 4720 420487 286654 54609 672391 466477 468294 830352 553633 156930 1543529 3392 43177 453763 465569 62383 831.5847 831.925@5.0084376 3942 3116 4970 6901 5140 3608 1564 3981 3588 2603 6547 7243 8100 3921 7214 6477 6992 5732 3608 5318 3587 6605 11824 6999 5207 5861 6186 5670 1047 7059 3914 11637 831.925 831.9264@5.0090833 2425 7806 3455 3700 11866 9560 10950 3960 10728 4660 3277 4546 831.9264 831.9391@5.022 2372 831.9391 832.0469@5.5736823 8280 8220 18265 17771 4962 4499 14075 14046 18380 16985 5353 5342 6921 7159 7199 7401 20268 19841 10224 10430 4147 3609 832.0469 832.0826@5.0109997 18378 19049 18731 13151 18622 17539 20245 16061 15122 13975 12435 16231 17642 18385 21973 18556 24021 17041 832.0826 832.0859@5.0145 20636 19801 832.0859 832.2388@0.977 9532 832.2388 832.2439@5.01 1650 832.2439 832.2581@5.0115004 1947 4911 832.2581 832.2806@5.013 3583 5025 2324 1481 4054 8937 1428 832.2806 832.2977@5.014667 1313 2381 2942 832.2977 832.3049@5.005909 1181 4160 2663 1856 2231 5854 4805 2284 4296 2133 2866 832.3049 832.3375@5.0086665 3623 2278 2471 1147 3468 1888 832.3375 832.3435@5.011 5383 3658 832.3435 832.3658@5.017 2470 832.3658 832.5811@5.0252495 2088 2508 3999 146087 160013 159114 170568 168361 218342 213953 129149 126683 832.5811 832.5884@5.0112696 106861 158973 147749 150031 174836 178682 137021 122812 4274 195881 196752 173436 133329 177250 141871 142040 103582 231649 133143 133487 149230 187168 182351 133649 161313 176152 175276 174730 149375 146313 148738 99788 195513 193943 175595 173276 1968 832.5884 832.6414@5.928 3751 832.6414 832.6504@5.910667 20013 15842 2984 832.6504 832.8137@5.029 1164 832.8137 832.9195@5.0094004 2251 2234 1807 3017 2920 832.9195 832.9305@5.003 3368 832.9305 832.9457@5.0037146 2141 1662 1805 1933 2607 5388 1835 832.9457 833.0663@5.006 3875 833.0663 833.0784@5.007667 5066 4561 3223 6474 3931 11018 833.0784 833.218@4.999 1399 1384 833.218 833.2439@5.0086665 1794 1687 5613 833.2439 833.2758@5.0074997 2843 2059 833.2758 833.2919@5.0119996 2166 4519 2622 833.2919 833.3053@5.006 2131 1985 1853 2117 833.3053 833.3166@5.011 1373 833.3166 833.3275@5.009 4110 1956 833.3275 833.3409@5.012 1337 833.3409 833.4842@1.037 4825 5354 833.4842 833.5868@5.1070004 3513 6526 833.5868 833.5924@5.0792 7720 6224 6682 10314 37506 2755 20027 16737 7585 6093 4641 11612 31826 10563 5773 3928 17289 7183 3215 11960 59004 8136 161296 8728 5111 5460 5848 7241 567144 484493 833.5924 833.5984@5.01275 542017 446391 109885 536299 833.5984 1-heneicosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine 394496 474652 435017 949891 838893 630793 465847 7521 520343 955146 918768 427679 508780 451130 589668 652014 1281218 1284627 12510 444974 157856 93809 1994304 2134702 568940 527011 751311 968509 667418 518890 513443 409958 78521 560028 1531006 420144 437817 732778 807129 4774 1033880 1079267 1093499 1137226 897398 835584 827968 479298 491682 692147 432531 697336 294968 699577 719387 969962 1449091 1074391 720755 853167 311081 728103 1019173 1033833 424892 487159 540121 496408 109280 54960 698601 853549 855859 685429 734993 956529 908868 936640 900132 826963 1045384 1077569 833.6008 833.6452@5.9146667 11424 3802 20550 833.6452 833.9316@5.009 8115 1553 833.9316 833.9422@5.0010004 2990 5511 1575 2672 7670 3681 5778 833.9422 833.9546@5.002001 1973 8383 7232 8487 4207 2773 2995 22261 19824 7088 1687 4591 5005 1499 2231 6394 6124 11206 11419 5133 1705 2227 4899 8031 8476 1425 833.9546 833.9705@5.008 3282 833.9705 834.0018@5.025 1158 834.0018 834.0159@4.996 2013 834.0159 834.0452@5.0018334 3954 12257 2017 9125 7594 9888 834.0452 834.0621@5.0051823 6872 7046 5172 7809 4580 5327 3497 10852 11450 1965 4660 834.0621 834.0728@4.9965 11747 8555 834.0728 834.0877@5.013 3436 834.0877 834.0996@4.996 10899 834.0996 834.1151@5.004 1898 834.1151 834.1261@5.0055 1887 2501 834.1261 834.1842@5.0048 4336 1148 3736 4821 8921 834.1842 834.1987@5.004733 3858 3657 8646 11051 5654 1183 3780 5140 5539 2076 4902 4691 7437 1354 4660 834.1987 834.2197@5.0046253 1715 2828 4553 5522 2168 2424 1487 1921 834.2197 834.235@5.0016665 1969 5828 5492 834.235 834.2392@0.9796182 7142 6454 6277 6347 7300 4817 4624 4857 5048 6858 6523 4643 4482 5531 5583 7391 5423 12228 12416 4718 4677 4982 5079 4603 9657 10655 3614 3296 4748 4513 3155 3234 2929 3615 3605 5280 5436 11164 10496 4464 4665 3061 3503 3395 3692 4306 4733 4763 4189 4346 4053 4218 4053 3303 834.2392 834.2578@5.006 1984 834.2578 834.274@4.9995713 5606 5619 8211 1425 2439 4016 7948 834.274 834.3002@5.004 1927 1853 6650 834.3002 834.3194@5.0035453 1615 2371 10384 4805 5083 5400 7125 3601 4764 3323 1445 834.3194 834.3255@5.006 5091 834.3255 834.3379@4.9960003 3248 3598 834.3379 834.3591@5.0006666 1512 7163 3508 2613 4881 3205 834.3591 834.3658@5.00775 4725 1578 4887 2950 834.3658 834.3706@5.0018 3789 2728 5393 2495 2533 834.3706 834.4109@5.0125 1018 2903 834.4109 834.5863@5.220667 5672 5432 5760 834.5863 834.5984@5.079 10525 834.5984 834.6052@5.014231 116866 257840 333298 330946 17918 8274 437708 3924 624885 645916 425337 496418 320403 834.6052 834.663@5.916 5467 8495 5387 4608 5164 834.663 834.9351@5.00075 5406 3806 1331 8652 834.9351 834.9442@5.019 1187 834.9442 834.951@4.9978 5983 4982 3977 6461 2845 834.951 834.9715@4.9985 2425 5047 834.9715 834.9779@5.0106664 1861 1321 2527 834.9779 835.0075@5.0015 2132 2349 1532 5087 835.0075 835.0322@5.0125 2726 1922 835.0322 835.0525@4.998308 2662 8133 2841 5499 4711 5464 4980 2563 4182 4906 9516 4384 6417 835.0525 835.072@5.0019994 6254 10171 9871 14871 8202 12267 5519 12637 8156 4416 12752 3251 13390 835.072 835.0749@4.9995003 10479 9427 835.0749 835.0888@5.0025716 4763 10674 10054 5750 10856 7727 8656 835.0888 835.0998@5.002 2269 1710 835.0998 835.1301@5.0225 2223 1854 835.1301 835.1667@4.992 1114 835.1667 835.1839@4.9845 1835 2841 835.1839 835.1982@5.0 5177 2373 3541 3469 2388 835.1982 835.212@5.0035 5071 2162 1705 5421 835.212 835.2301@4.999 1877 4001 2449 835.2301 835.2486@5.002333 1961 2073 2437 835.2486 835.2616@4.9985 2704 3892 3152 3389 835.2616 835.2748@5.0 6861 2117 835.2748 835.2913@5.01 5051 835.2913 835.3061@5.001333 1877 5861 6230 835.3061 835.3165@5.0005 4991 2468 835.3165 835.3348@5.006 7065 835.3348 835.3457@5.0015 3177 4295 835.3457 835.361@5.009 2033 835.361 835.3768@5.0003333 3020 2405 1933 2786 3144 2953 835.3768 835.386@4.997 3325 835.386 835.4047@5.0012503 2522 2591 2314 2423 835.4047 835.6138@5.0045004 313149 284189 835.6138 835.6144@5.046586 159993 5486 321540 239614 73875 3830 277415 232061 11133 6560 29878 4306 5649 294378 5776 269239 5854 29350 482861 6128 336814 4067 4887 25961 5130 316719 292478 5406 5010 835.6144 835.8465@5.019 1290 835.8465 835.857@5.032 1103 835.857 835.9473@5.001 2204 1363 1125 835.9473 835.9642@4.998 1846 835.9642 836.0098@5.019 1336 2223 836.0098 836.0373@5.001 1663 836.0373 836.0664@5.0039997 6055 4904 836.0664 836.0779@5.0035167 4412 7769 4625 5148 6386 12186 5121 6016 4434 9501 6200 7111 7813 7609 6905 6928 9397 7511 8753 8629 6751 9546 6002 7054 8426 7286 2972 7461 8281 836.0779 836.1659@5.01 1616 836.1659 836.184@4.999 1310 836.184 836.195@5.011 5465 836.195 836.2351@5.0015 3255 2481 836.2351 836.2572@5.0044994 4081 3888 1980 3060 836.2572 836.2789@4.996 3993 836.2789 836.2909@5.007 2772 836.2909 836.3142@4.9960003 6003 2658 836.3142 836.3252@4.999 2272 836.3252 836.3373@5.002333 1937 3314 3797 836.3373 836.3486@4.995 2612 836.3486 836.3812@5.0 2172 836.3812 836.3939@5.002 4391 836.3939 836.6181@5.0171723 89338 61302 144203 103377 152309 3628 139932 99743 90920 98130 44222 136371 114834 134854 109372 3686 2987 3684 88043 75013 147002 146803 145916 76342 94788 115947 133953 248877 237146 836.6181 836.8535@5.0185 2386 1015 2804 1057 836.8535 836.9635@5.0125 4844 1785 836.9635 836.9988@5.006 3023 836.9988 837.0363@5.012 1176 837.0363 837.0643@4.996 1713 837.0643 837.0777@5.0015 3283 7241 837.0777 837.0894@5.0059996 5288 5440 3130 3487 4381 4247 2994 2253 5936 4683 837.0894 837.197@0.758 2966 837.197 837.2581@5.005 3576 837.2581 837.3108@5.007 2095 3441 837.3108 837.3486@4.993 1115 837.3486 837.4425@1.082 3147 837.4425 837.5093@5.132 6038 837.5093 837.5192@5.13793 9135 10755 9532 8953 8714 9937 9443 8975 9497 9090 7693 6818 7781 6782 6931 6949 8325 3150 6656 6655 6670 6245 7978 5928 6329 9583 8023 8415 8887 8836 7983 8084 8247 8664 8990 6750 6795 7386 6911 9585 7973 7851 7872 8214 7458 7617 7101 7623 8510 7086 7533 8545 8301 7438 6855 7421 7897 7088 6921 6759 7125 7362 7347 7566 6828 7003 7032 7666 7409 4817 6563 837.5192 837.5313@5.138 6150 837.5313 837.626@5.039 6175 837.626 837.6276@5.008359 104679 130523 72946 59889 39620 90729 89665 51702 88133 53317 47391 51795 79678 61924 40548 54351 80684 46728 45998 61591 72116 70652 50833 52154 84574 89646 55388 79756 81732 54055 39033 57307 73196 91757 73454 63042 48849 48781 70761 837.6276 837.8352@5.4637165 8877 9419 9728 9977 10273 9849 10555 10872 10161 9656 9224 9639 9453 9679 10106 10101 9574 9437 9618 9857 9217 9740 9751 10475 10898 10599 10596 9983 10944 11334 9166 8787 9860 9702 10454 11279 10882 10749 10715 11723 9457 9389 8961 9345 9734 10188 9264 9529 10119 10706 10529 10811 9437 10185 10126 10472 10067 9892 11113 11090 10155 10575 10092 10343 11690 11843 10456 10462 9109 9235 9549 10146 10561 9896 10032 10028 10288 9691 10000 9761 9754 10727 11026 10644 10069 9747 10904 10308 11470 10861 9690 9654 837.8352 837.8736@5.0115 1428 1608 837.8736 838.0753@4.999 3469 838.0753 838.5628@1.621 7184 7965 40771 4669 5767 838.5628 838.6313@5.011889 11340 10997 21622 19075 20147 16667 32278 16137 22573 838.6313 839.5669@1.73 5655 839.5669 839.5965@4.9897633 2776 18327 8684 14223 33636 14845 11835 8460 18588 4195 21621 21283 2560 21170 23080 4081 9924 10707 37834 35868 34870 17456 3594 27121 26731 14657 1353 3260 29960 23302 23044 4571 14279 17221 4300 11091 7585 2964 839.5965 839.6068@5.034333 15572 2068 5596 18399 4858 2866 1663 3357 2768 839.6068 839.6241@5.048012 27371 27813 48670 25863 35290 31624 33439 32976 31132 27559 28200 30576 30020 36981 37961 52711 50828 58461 34398 24270 32398 12647 11964 18996 18300 20074 23380 27653 27841 25645 49901 29555 53124 27006 53023 25184 25248 55328 25161 34514 44991 37373 28529 29961 27698 24867 26769 16463 22178 23594 17233 26116 22937 18901 19378 26796 51479 32496 33494 35850 29044 31835 62092 26392 42149 34094 38053 17811 19916 45208 30728 17350 18752 41438 19379 33037 27477 23669 36254 25843 24655 55719 29988 39477 23506 839.6241 839.7027@0.964 16101 839.7027 840.598@4.990454 1200 1627 1648 3439 1836 2686 2300 2465 2235 2302 1626 840.598 840.6261@5.047857 24304 10317 8189 6584 6743 6165 8056 840.6261 841.4325@1.2005 3611 3058 841.4325 841.5754@5.003 30741 841.5754 841.584@5.0036864 20980 12585 21182 17697 21374 21383 28942 20196 15565 13859 38487 31307 25334 13806 4454 15063 15575 9144 39963 16905 12313 30737 16282 11928 25749 16064 17584 38593 7527 24738 37384 15866 15426 14234 14668 5465 26681 25249 17987 20521 22292 25518 20771 33375 39573 8343 18885 14508 841.584 841.5991@5.006 12450 21407 35028 841.5991 841.6359@5.0794673 26586 27145 28995 29939 36311 36553 31096 31167 36643 34540 37340 36371 32313 23968 11921 12472 15259 8592 23326 24459 22617 24910 31514 30975 38006 38275 37175 32674 32361 38057 31962 23662 22382 20738 22024 21938 19911 19552 20470 17071 21016 30094 30946 30948 33734 27143 34647 33631 25166 20553 21772 16597 17940 20005 29718 31222 31549 15334 25939 20443 31559 31833 841.6359 841.7228@0.95800006 6435 32633 13453 13139 6345 18928 19144 4502 5562 22446 841.7228 842.0085@5.5606256 6064 5809 12082 12102 27379 27764 6537 6266 18041 17729 20921 19393 8877 8872 9236 9543 9046 8507 22754 22031 11838 11416 5066 4847 842.0085 842.0676@5.007699 1886 2170 2204 2650 2716 1757 2423 2207 2086 2095 1975 2547 2142 2024 1871 1983 1788 2074 2137 2136 842.0676 842.5095@5.561046 9054 9239 20267 20504 4934 4388 14361 13894 16118 15324 6245 6423 6991 7163 6321 6276 17466 16865 9418 9414 3671 3761 842.5095 842.5779@4.997843 4052 4226 27549 28197 9727 21400 6829 7842 7863 6284 21817 4700 11224 8778 23720 26380 24216 21248 40331 842.5779 842.6301@1.2065 10180 7183 842.6301 842.64@5.0772 4589 4345 3453 5238 3005 3079 3360 2819 4164 4952 842.64 843.0645@5.004 2289 843.0645 843.0777@5.00255 1863 2047 2737 2873 2484 2465 1717 1934 1877 3399 3066 1887 3721 3378 2202 2246 2215 2104 1767 3690 3463 2015 2211 2538 2508 2693 2838 2740 2674 3338 2968 1864 1705 1914 2016 2352 2756 2701 3053 3346 3298 2096 1977 2021 2476 2671 2692 2473 3186 7964 7388 2687 2615 2022 3021 2621 2918 2737 3339 3311 843.0777 843.5346@5.025 4215 843.5346 843.5474@5.0285006 1144 5519 4992 12165 3807 3073 4500 2491 1845 6759 2217 2699 3956 6721 843.5474 843.5656@5.0215 15843 8002 10320 11130 843.5656 843.5767@5.002 16934 843.5767 843.578@0.93149996 4797 4890 843.578 843.5904@5.0004225 9904 15772 14294 14790 20307 20092 9530 20557 15325 18731 14117 15937 14632 18063 21673 21787 16820 20325 13603 21047 25712 18649 18168 21580 26557 4239 843.5904 843.6035@4.989333 3130 3876 3746 31948 15006 19412 843.6035 843.6167@4.9783335 3235 2081 21215 9829 2057 6533 843.6167 843.6513@5.0802226 15325 16169 15558 13030 5869 15016 6402 12827 12142 11789 10861 18580 10220 10294 12232 14090 16132 16571 843.6513 843.7367@0.95843756 19653 18360 28900 9041 25457 51085 19882 34468 34763 20390 20517 7127 19680 19683 17189 16688 843.7367 844.0844@5.003469 3137 5968 6184 4241 4688 3625 4130 5473 5523 5405 5797 3896 3166 4612 4041 6752 7235 4483 4524 7859 8250 5363 5537 4074 4315 5206 5725 3834 4231 3717 4011 2928 7257 7082 5111 5207 4336 4266 6010 5781 6618 6715 5049 5101 3412 4306 4225 4519 5099 5137 4665 4806 5041 7592 7566 5283 5721 5464 5587 4546 4944 6823 6709 2487 2908 3475 2750 4533 5145 5584 4911 5344 5200 5523 5141 5617 5631 7200 7176 4177 4608 844.0844 844.548@5.02925 1310 1635 1403 2408 844.548 844.5595@5.019 1884 844.5595 844.5881@5.008178 12299 11555 5028 7722 8870 6121 9557 9315 10418 10495 4093 4310 6470 3111 9839 10990 12335 12352 9928 9100 9018 9844 10946 11795 8611 4483 10376 4649 844.5881 844.5955@4.9968233 37923 3473 4504 3877 8683 7747 4745 10724 6205 4785 5975 4159 2831 3350 5441 1689 2102 844.5955 844.6558@5.0803638 5957 7393 7740 8067 5907 4609 7686 7084 7755 7695 3364 3275 6256 6786 8563 7615 6843 2686 4597 3216 7039 4464 844.6558 844.7396@0.964 6117 844.7396 845.2834@0.961 7609 10302 11499 5081 12476 15673 845.2834 845.4961@1.197 3045 3133 845.4961 845.5174@5.1485996 3718 3811 3563 4367 4640 845.5174 845.5442@5.048 1866 845.5442 845.5573@5.0289 9974 10270 2638 5167 11384 4814 3324 3637 2652 4848 845.5573 845.5654@5.021218 3719 1896 15691 3652 4602 9898 10852 5236 3551 4555 4093 10238 2798 4205 4662 17181 7279 16105 4482 5384 15835 4879 4398 845.5654 845.5859@5.021 5016 9534 845.5859 845.596@5.0053334 5581 7812 3371 8237 18629 8108 845.596 845.628@4.982346 6718 8314 4629 1959 12362 7678 6618 2595 15291 4910 12371 12386 10523 14160 42294 8618 12401 11054 8356 11901 11347 5638 10823 9116 8758 1771 10255 2533 12504 11418 11642 3184 11272 10652 8741 58836 48728 5932 5658 4215 23476 5860 22969 14268 13340 8676 6393 2533 10050 12598 2904 9039 845.628 845.6332@4.9738 3748 2409 7649 2549 1607 12451 6984 19237 20188 14423 76711 61234 3792 28901 22673 845.6332 845.7537@0.958 41797 7847 83678 10610 53240 99510 4881 14506 139206 140487 845.7537 846.5612@5.014 1927 846.5612 846.605@4.9943337 1854 2079 3692 846.605 846.6306@4.9744997 2738 2401 846.6306 846.7558@0.95839995 9598 3371 4110 5571 5599 846.7558 847.5316@5.4210005 4130 4033 3188 5098 5166 7683 6859 847.5316 847.5394@5.13037 78073 71990 78828 71654 84164 85003 82710 84757 81336 80758 95668 95221 96871 88217 78937 79526 94305 95804 96225 91258 90380 97875 73458 75149 88256 105025 102995 91532 111047 110838 88019 85963 88743 92710 87155 87468 89422 80390 89066 80367 97431 98251 87424 87187 108114 105387 101969 101288 101670 91370 94481 106557 101802 102716 96353 107193 104316 89564 101840 113717 95553 92019 93747 93445 92221 89984 92663 93932 98002 98834 100220 101003 105138 106112 106116 107534 101200 121321 99045 92428 103122 110797 107676 106893 106064 107617 95543 93608 98381 99449 100325 103549 847.5394 847.561@5.01725 2807 5401 6962 7141 847.561 847.5697@5.0149283 8097 8505 7872 8309 6947 5407 6011 8267 7931 9446 7820 8016 4771 8006 7688 2799 7698 10113 4887 1764 7000 8271 2403 8743 7140 8061 8284 9440 9020 8433 9815 9411 10500 8875 5842 6251 8473 9175 9904 7477 7093 8400 847.5697 847.5759@5.0177503 5815 8187 8544 7651 9193 10831 7720 9467 8029 5288 7881 8005 11078 7210 7456 1757 5945 6858 7700 4733 5911 7799 9116 10126 847.5759 847.6313@4.9775 16842 13279 847.6313 847.6335@1.2055 5428 5275 847.6335 847.6466@4.974147 23346 19368 14687 14449 25665 18654 21205 21065 8084 39515 25204 7909 19204 10945 15423 20272 7685 14280 23571 21095 22815 34058 13375 7709 7778 19915 6704 39465 38015 14264 16710 21130 5515 5112 18859 14550 13319 14865 21626 26175 19844 19758 11827 30004 37003 32867 11348 17131 18976 18598 17651 33835 49672 25376 28544 18920 11020 31565 32502 13834 17631 847.6466 847.7665@0.95753837 28991 7245 10171 17807 15948 17679 16974 17129 17542 12599 2088 9368 847.7665 848.4398@5.5337877 4993 4184 10897 11139 26155 25279 7166 6891 6879 4514 11110 10582 7446 7586 5876 4951 5294 4477 7836 8036 6834 7062 12841 12348 4796 11389 11423 4255 4799 5191 6204 5834 4921 848.4398 848.5322@0.933 2714 2349 848.5322 848.5671@5.0175 1826 5114 848.5671 848.5956@5.032 3645 848.5956 848.6232@1.197 6806 848.6232 848.6465@4.977 2264 4365 848.6465 848.7613@0.957 4800 848.7613 848.7721@0.9578 6481 9007 12093 5234 9290 29238 5074 4950 20621 20745 9645 9529 7322 6679 4753 848.7721 849.5972@5.052 3062 849.5972 849.6199@5.014 2167 849.6199 849.6334@5.0115004 3075 2521 849.6334 849.6537@4.992 5354 3454 849.6537 849.6664@4.9728756 5516 10804 5409 13010 11683 15031 17055 22934 9136 7154 14213 8316 7351 8021 6955 6780 8885 14498 26640 14540 6073 7322 20531 5513 849.6664 850.3886@1.112 5272 850.3886 850.3989@1.1021175 7301 7107 16618 10265 9460 5523 26582 27107 3971 10023 9691 4655 4026 6014 8619 8188 5267 850.3989 850.5554@5.121813 8118 9011 9401 9314 11282 10809 6647 9877 13310 13076 9868 13315 9320 12763 14591 9370 850.5554 850.6686@4.970441 7825 13795 6267 4399 4922 4970 7169 5576 3811 28903 23756 4835 10682 9089 19530 15302 4870 8535 6838 9748 8418 7551 5719 6284 9233 850.6686 850.7881@0.96099997 19634 8917 9973 850.7881 851.4006@1.102 4828 851.4006 851.5466@4.9900002 26894 4831 97799 17820 851.5466 851.5555@4.995949 15007 15176 12148 18699 14080 65513 19683 3587 42630 16432 23106 24588 25512 18740 15357 40927 51033 13349 37062 25446 18787 49694 30382 30373 26151 22584 18225 3462 19079 21865 20700 3447 42899 29439 6544 41470 12239 18534 17645 4448 25223 5650 34861 3631 81341 4141 4993 13529 14569 3348 21356 18064 3502 19511 21959 32901 32874 69366 25339 3234 13298 34875 102196 86160 87104 42579 10463 13563 5893 30671 6188 85189 83043 15322 21076 31852 101545 12416 851.5555 851.5716@4.996 24420 851.5716 851.6599@4.99225 8297 8797 6959 6016 851.6599 851.6694@4.979666 6211 4926 6698 851.6694 852.465@1.149 3109 3524 852.465 852.4696@5.553071 9115 9479 18556 17367 40414 40978 8833 9224 22371 22313 24721 23757 4227 4089 6121 5735 12337 12644 13913 14010 11873 11076 25449 26468 14942 16030 6109 6423 852.4696 852.6834@4.956 2372 852.6834 852.9716@5.552889 6333 6082 12642 12588 29367 30020 5807 6314 15977 15575 16634 16327 3058 4016 3843 8644 8389 9201 8917 7822 8403 18222 19321 10034 10197 4263 4191 852.9716 853.4546@1.034 3537 3314 853.4546 853.5032@0.94949996 5180 5168 853.5032 853.5597@5.6957693 18098 14307 6577 6073 4851 37456 37465 84006 85517 20000 19385 52830 52348 58662 57686 8779 9199 11561 11721 8733 8734 27250 26670 28659 28742 25746 26716 4724 63814 63410 6266 5997 36972 35518 4665 14857 14537 5867 5897 853.5597 853.5605@5.716 5267 853.5605 853.5677@4.9813747 17562 24648 38388 32388 26499 15507 2765 29654 17970 29712 6953 133662 4922 19785 3460 18931 853.5677 853.5701@4.955762 3550 3345 3242 3073 3416 2898 3591 3619 3096 3483 3575 3549 3654 5094 1488 33538 3321 2155 1808 3624 3259 4488 4503 16852 58839 6485 3152 4046 3950 5602 3996 3776 3633 32247 3183 1872 2065 23142 2074 29552 4078 3625 5404 4475 4125 5068 3116 2807 4042 3252 3451 5328 4000 134266 6213 6707 3213 3508 3205 19465 3381 3333 5223 853.5701 853.5726@5.0264997 2268 2391 853.5726 853.5808@3.1040003 13987 13206 14405 14007 19594 18226 9537 10668 17939 18162 7783 13157 12164 8667 8664 20989 17495 95160 104695 18729 16378 24514 27952 15536 15198 48734 48745 2012 12261 26518 19112 24511 20945 8998 10225 21907 22458 11368 10762 19063 17829 27026 31667 13144 13307 11301 9512 15934 16790 8661 8821 36017 44576 6732 7573 18981 20085 10204 6671 10332 10125 13027 12838 9812 10033 11364 13746 9552 8936 9334 17810 17671 6040 8536 7794 5590 8261 14790 14409 853.5808 853.5822@2.7497973 19634 27154 28405 28470 41567 36762 26015 25060 45014 47720 6490 29882 27321 15836 19341 47145 47200 209341 109072 46003 43041 66157 57011 37997 31370 102035 25445 14106 32531 43612 45866 12023 22345 34103 22826 64751 61168 30078 23272 48043 42802 78496 83306 36160 23298 9294 13609 7457 8154 36885 23977 16760 86483 75290 11337 9501 44905 45722 7268 11899 23973 9529 10116 12378 28428 17322 15340 13054 23430 14363 8818 38092 31733 8244 23550 22192 6490 15357 23378 20245 30407 32351 11914 7354 853.5822 853.5823@3.115 5837 853.5823 853.5827@2.793 41008 4628 5561 853.5827 853.5841@2.6936665 8682 25810 2358 77884 11256 11966 6588 7166 7623 23196 4845 3909 8799 7809 3898 12878 9933 5619 13606 7147 11321 853.5841 853.6202@5.0515003 6626 7376 853.6202 853.9996@0.949 3597 3737 853.9996 854.0603@5.695833 14425 13729 4227 4107 29218 27453 58550 60386 13429 13645 36931 37402 42520 43416 5775 6425 7838 8690 5616 5613 20470 18643 22140 20524 19821 19531 45522 46480 4012 4362 26720 26765 10627 10990 3467 3172 854.0603 854.5425@1.202 2567 2676 25135 24842 3556 4546 3880 14980 14002 3288 3256 6675 6007 6452 2591 4332 4019 10856 10658 2154 854.5425 854.5712@4.9947076 5902 10428 10312 7990 11713 14634 13370 8987 4004 13571 5390 10810 8663 6185 7024 8472 9800 10323 15037 6836 9234 12744 10714 5619 854.5712 854.5868@2.728375 8422 3201 4901 9153 11295 4923 9937 3809 854.5868 855.075@4.99 1261 855.075 855.4165@1.1715 13088 11500 855.4165 855.5828@4.9934444 48885 112827 2961 56775 2099 90762 88093 37141 117803 123380 9056 70567 3725 102845 54889 129557 95994 53811 855.5828 855.6199@5.0585 9416 6767 855.6199 856.0394@5.6958 6987 7285 4930 4904 5245 856.0394 856.084@4.9927053 3167 3574 8083 7711 3945 3975 2263 2665 2572 3109 2907 3406 3159 2932 2614 3083 2996 856.084 856.5399@5.6943336 5583 5559 3271 856.5399 856.5854@4.9959373 59287 37537 39814 38528 38076 11433 59303 51769 63653 61840 65033 12511 62159 61553 76655 78491 856.5854 857.5821@5.035 2973 857.5821 857.593@5.021296 7269 11142 10386 7323 6652 6632 75490 2118 4624 44410 5232 17965 34552 48356 31883 37341 16100 4405 3205 5563 4522 5403 5454 4538 27909 42033 28617 857.593 857.7508@0.9625 12234 9160 857.7508 858.6003@5.0107064 5856 18898 19386 4543 9962 19250 7559 21219 4563 6605 9508 29333 13945 6698 16937 2813 22439 858.6003 858.6057@1.017 5067 4707 858.6057 859.4436@1.217 3607 859.4436 859.597@5.0355 3096 3277 1955 2786 859.597 859.6125@4.998475 9448 12624 11600 18560 22900 33840 18129 17648 13784 13951 12814 3170 13780 7407 14822 19025 16751 16713 22492 1654 12294 13595 15096 20693 22377 14955 14060 20208 18517 16740 20263 21911 18822 20573 17805 14284 16079 18053 20514 26482 859.6125 859.6134@4.9909167 12509 14030 15030 17362 15960 22987 14349 23227 17413 20186 21157 19279 859.6134 859.7637@0.957 6385 859.7637 860.3726@1.1695 7621 6934 860.3726 860.5655@5.6475 5238 5097 860.5655 860.6175@4.993286 9381 3922 5466 7798 4192 6452 5893 860.6175 860.6245@1.153 2371 860.6245 861.0687@5.646 3567 861.0687 861.5242@5.054 4598 861.5242 861.6296@5.0026 5866 14304 51122 3271 17252 5291 4989 23630 4226 5997 7793 4933 14773 10110 15131 861.6296 861.779@0.961 3678 861.779 862.4949@1.0514138 6389 13780 13749 5856 7158 6098 20709 19308 18550 16117 7074 7175 9327 9737 12149 11677 5323 5510 11106 10634 9849 11869 5651 11006 10481 14364 13550 8712 7384 10490 8831 6383 6067 11932 14957 8960 9352 7977 8055 8849 9466 20693 20042 9657 10331 6686 6215 6081 5661 26023 7535 25685 15430 14699 7050 6617 6856 6577 862.4949 863.5271@5.41575 3966 4220 3982 4215 2699 2253 2987 3316 5071 5059 7657 7754 863.5271 863.5271@5.1715 7862 7675 863.5271 863.6168@3.172 12865 863.6168 Ins-1-P-Cer(d18:1/22:0) 11472 12638 11927 10903 13326 13918 13884 18657 12491 9288 15168 14968 11543 12309 15951 19480 9706 9960 12015 12634 11609 14015 11694 12024 11065 9294 25112 10826 14764 15531 13357 18521 11976 16944 9977 6298 17269 18011 13622 13924 17725 25896 3248 3392 21494 15313 21518 22791 12649 9211 9153 12321 12575 12551 14310 16325 14926 12876 LMSP03030001 863.6241 863.6265@5.01613 19692 12247 26397 11500 12778 11375 13001 14273 18691 18755 2501 7916 9006 10620 12288 12452 12550 11486 9469 9624 20303 12137 15719 863.6265 864.0241@5.685 6463 5957 864.0241 864.5282@5.6844997 5502 6217 864.5282 864.6215@5.019 9545 864.6215 864.6394@5.015333 3819 14741 3285 864.6394 865.5127@1.046 2786 865.5127 865.5495@5.168 4672 865.5495 865.6121@1.206 2452 865.6121 865.6321@5.017 18227 15261 3013 18729 865.6321 865.7237@0.9625 9688 9907 865.7237 866.372@1.1373334 8388 7189 4508 866.372 866.3838@1.102 4404 866.3838 866.3924@1.1125 5581 6022 6331 6279 866.3924 866.5547@1.2 4902 866.5547 866.5681@1.202 4398 866.5681 867.6535@5.0156283 7314 8517 6667 8538 9376 12252 8389 9809 11011 10152 13058 12245 11099 8661 12376 13001 13088 10132 9670 10129 7526 7656 9937 7963 10589 8211 13075 9424 8697 8219 12366 9447 8305 7615 11421 7766 6855 9479 13180 6120 7160 7878 6191 6816 9129 9107 7373 7335 9085 8164 13332 8382 10016 8957 11049 13103 10810 11386 14347 8965 12014 11978 7787 8328 7868 6793 7051 10816 11534 8651 10701 9000 8281 10401 9712 11779 11183 12103 867.6535 867.738@0.95649993 4245 28937 9433 41281 20481 54940 53802 18562 11233 11426 26352 13086 13153 9673 38071 7403 7399 32896 11185 9355 867.738 868.654@5.0255003 6630 3431 7306 7909 868.654 869.5281@5.0559444 5600 5802 25580 3953 23381 30601 22153 5596 5777 3931 3662 25212 4041 26248 5250 4970 4429 32434 54009 54916 25743 25867 3336 56279 10495 22381 3981 25522 6639 5984 3583 25773 3936 25995 24977 28567 869.5281 869.5401@5.052 24964 869.5401 869.6223@4.97475 5691 7269 7217 12721 869.6223 869.6304@4.987 3802 869.6304 869.6497@5.038 3406 869.6497 869.6627@5.0525 4557 4706 869.6627 869.7416@0.956 7428 869.7416 869.7515@0.9562093 13757 8656 51441 6798 35799 19269 5170 6939 6851 16127 15578 7238 7638 13157 20016 20598 12532 12248 9469 15288 6959 10633 15246 9243 13168 7670 7507 12351 8135 369460 385558 11687 9672 10450 7991 8250 10393 9438 6665 10543 10172 55536 8124 869.7515 870.7585@0.956 5346 870.7585 871.54@5.049138 35994 35793 32022 31137 30987 30655 39462 39467 29704 30034 27697 29562 26791 72470 54921 30745 46974 74230 30863 30843 23820 23352 41263 41479 40810 41083 31223 34776 30340 32885 27183 18162 26952 27230 79196 31930 38793 33734 33911 32492 41219 40923 29440 30753 29037 28884 28660 32789 28156 28606 32267 33179 35362 30947 35147 32915 16258 33814 88074 87880 31377 38737 74038 68374 32831 32039 40122 41643 63276 23872 23353 37884 37326 871.54 871.5402@5.034 18581 871.5402 871.5421@5.700654 9175 9532 20655 20526 5576 6017 6733 6780 9694 9488 5572 5648 5049 3272 6667 5858 5711 6097 10633 12118 5812 10242 10353 4408 5380 5770 871.5421 871.5743@5.004 2428 871.5743 871.6116@0.926 2264 2235 871.6116 871.6272@4.962 4675 871.6272 871.6476@4.954106 12019 12157 8134 4269 17330 9594 14934 8430 16284 21785 29510 16616 26232 25944 11620 10980 15489 15031 10056 871.6476 871.7689@0.9595714 74846 7734 5828 120296 99042 7243 253368 245374 8720 3743 35640 5706 176499 140614 182655 54708 292451 315190 2553 128425 8837 5831 61468 46838 107186 11795 9083 86655 871.7689 871.8233@5.476 2092 871.8233 872.1195@0.962 2815 872.1195 872.5417@5.0475554 10311 10652 13060 13004 9931 10565 11247 8719 13212 11293 11400 9869 10737 3748 10588 11367 11704 13108 872.5417 872.5426@5.056 8208 872.5426 872.7725@0.9546667 2272 2507 13924 16054 20014 22402 8345 14520 13305 872.7725 873.5454@5.0776668 54129 54330 66304 873.5454 C20-OHSulfatide 44147 44624 50921 51618 47223 47418 52032 50387 52995 52050 48384 48262 51412 53622 54923 55376 43345 43502 63189 42518 43219 41272 42852 64881 64502 57657 57361 50390 33979 49009 49201 54015 54624 55947 57118 47148 45296 61104 54197 55000 49585 45094 54648 54899 61117 67031 68730 52997 50674 52663 54001 57310 55782 46235 44416 43143 44462 52571 50783 54146 51443 50005 51112 20198 19841 62139 61105 55019 61953 44567 57022 66670 65348 31882 32673 65028 LMSP06020005 873.5539 873.6665@4.954333 7991 11548 9578 13430 11834 8172 21100 24032 16742 15795 14758 7254 10390 19473 8431 8241 3673 4646 7547 22258 12340 873.6665 873.7838@0.95559984 17753 66811 10165 17119 11166 5428 21697 23550 52651 119067 3753 16744 153282 159606 153397 10284 15557 10109 35597 10922 98507 14266 60970 3937 873.7838 873.7854@0.982 4070 873.7854 874.1433@1.6145 3580 3088 874.1433 874.5575@5.0755 7767 7453 7098 6531 874.5575 874.6706@4.947 5704 874.6706 874.7811@0.95742106 7115 13869 9374 7502 6802 7970 4612 12286 6201 6214 7115 3479 9190 8689 4426 250157 108775 18739 27494 874.7811 875.5674@5.0848002 30441 38254 4866 29790 27437 35668 4561 24750 23157 25780 875.5674 875.5706@5.822 8961 875.5706 875.5724@5.837205 15445 15867 5374 5450 3516 30672 30766 70991 69754 16654 16390 45177 46009 49761 49838 6839 6814 9208 8846 6538 6951 22828 21786 25323 25000 22089 21738 3774 3833 55506 55494 5224 4859 32133 22183 12644 12626 5026 4883 875.5724 875.6367@0.96 4329 875.6367 875.6822@4.952445 7112 13132 12224 11964 13286 7819 7346 10691 15329 23457 8941 14238 15089 26143 16356 15296 7660 17668 11066 11497 9795 9567 8078 7149 66142 66153 19410 10155 14147 18780 20091 25488 7040 18739 18711 18538 31420 27813 15207 16183 16092 28712 27633 16921 13472 875.6822 875.684@4.954 16394 16765 16559 26322 6523 9831 18867 14489 23031 23815 13077 10670 2314 875.684 875.7992@0.95799994 28434 3290 19643 7187 5496 153005 875.7992 876.0745@5.8370814 11522 11593 3827 3764 2475 22616 24797 55210 50584 12595 12859 32628 35777 38716 35564 4437 5385 6686 6697 5248 5312 15713 15237 19785 19318 16720 15985 44404 43341 3717 3893 24064 21441 9585 8546 3401 2743 876.0745 876.4614@1.9549999 27384 31370 876.4614 876.4679@2.051 5695 876.4679 876.573@5.076625 12711 12767 13775 14264 14179 11483 10319 10758 876.573 876.6856@4.9565005 3942 2948 3209 3268 4943 4782 876.6856 876.7294@0.936 4121 876.7294 876.7868@0.956 5880 876.7868 876.8008@0.9558333 10788 22426 20532 21750 22105 6008 7070 21376 12548 12828 35848 5966 5683 42704 14761 3984 9185 8893 876.8008 877.5811@5.079 5516 877.5811 877.6968@4.9519997 5355 6993 14192 7513 6508 4636 12437 4761 7702 8766 8652 4248 9039 10275 14886 14184 877.6968 878.0559@5.834 6012 3589 878.0559 878.5524@5.831 4011 5201 2481 2319 878.5524 878.6923@4.9484997 5028 4535 4965 4818 878.6923 878.7028@4.953 3100 5898 5130 4536 878.7028 878.7433@0.95579994 3521 5516 5855 74470 6307 878.7433 878.766@0.95766664 4296 4398 7068 7122 10922 10696 878.766 878.777@0.956 7019 878.777 879.5742@4.978 7232 879.5742 879.7464@0.956 5943 879.7464 880.7565@0.955 50570 880.7565 881.4314@1.0915 22203 21513 881.4314 881.5881@4.997 15486 6194 6534 881.5881 883.5819@5.006353 8283 8812 5053 6477 5653 6519 7309 7213 6637 7172 4663 5082 3646 8244 7616 3535 3954 883.5819 883.6083@4.986 10230 883.6083 885.4523@1.203 4067 4205 885.4523 885.7772@0.96150005 7525 10956 885.7772 885.7888@0.954 20278 885.7888 886.3869@1.0995 10557 10730 886.3869 Glc-GP(18:0/20:4(5Z,8Z,11Z,14Z)) 5937 6180 5212 5973 6678 6427 6229 6431 7157 6774 7266 7456 7147 8752 8058 10156 9308 6620 6599 5710 6166 5726 7670 5066 4819 4995 7751 8126 4824 6655 6858 8313 7500 6524 6212 7792 8202 7757 7052 7370 6779 5687 6526 6796 6786 5282 5385 7007 7131 4891 5319 5030 5979 5763 5003 7306 6820 5094 6050 8891 9002 5751 10701 11059 6465 6053 LMGP14010001 886.5642 886.6686@5.095667 4968 5802 6767 6460 4422 7453 886.6686 888.7974@0.961 4411 888.7974 890.438@1.1535001 6074 6223 890.438 890.9426@1.153 3974 3627 890.9426 891.5259@1.026 33957 32338 891.5259 891.5643@5.1376195 17356 16676 15525 15957 15255 17807 12498 13613 12852 13857 15135 14141 23274 21049 19570 20834 26479 26792 25576 24502 25016 25818 24405 27289 24572 20185 31998 31212 28672 29335 18157 17510 15148 15453 16328 16628 16550 17450 21767 21978 22701 22306 23604 11556 28502 27202 22302 16948 24449 24345 30667 33196 33934 33823 25259 26524 28462 29642 33435 33091 20111 22366 17332 15913 19745 22115 23484 25280 21439 23716 23326 20969 22655 23238 28145 22713 27288 30372 25061 24443 22727 33292 39171 37021 35622 35739 32303 33801 31872 29659 45086 44827 891.5643 891.7434@0.9551666 5682 5753 21960 5622 22970 5062 4894 12073 11030 37787 12973 13426 891.7434 892.4352@1.9625001 726650 746820 892.4352 892.5685@5.121 15320 892.5685 893.5797@5.1198 3555 10025 7141 8090 3277 893.5797 893.7489@0.9554167 12682 19791 6096 9594 8306 23010 7454 13485 6452 24151 6650 17638 893.7489 894.5889@1.155 5443 894.5889 894.7548@0.9555 2858 2794 894.7548 895.5396@5.0188828 22842 23594 24266 34620 20467 20588 22990 22476 22413 22792 26850 28118 29163 28998 25937 25823 21762 18416 25734 12182 25445 26261 16798 16920 26855 26960 14307 29804 27165 27443 25926 25933 25704 25382 22146 22304 33744 21201 26609 26193 25386 24991 27276 29011 33786 33568 27882 28004 26086 26750 40631 40753 30326 30449 22726 23240 22088 21811 28157 27887 23393 28259 27793 27314 21854 22070 23915 25501 28431 28551 19187 19083 25293 26440 29160 24934 29776 37900 22907 26794 25133 25717 24580 24077 29762 31525 26166 26884 20658 21329 25471 24867 895.5396 895.766@0.9549286 24052 12815 9222 9116 100799 98806 5421 8783 5714 5632 9750 9686 22906 6000 895.766 896.6847@5.0385 4450 3775 896.6847 896.7712@0.95416665 7803 8324 8011 3743 3770 4853 896.7712 897.556@5.025 13197 14923 1594 897.556 897.5741@5.917 4335 897.5741 897.5865@5.924861 13103 14026 4647 4308 3032 26475 26941 60968 60908 14242 14054 38566 38487 42296 41707 6107 5431 8590 8405 5708 6041 19009 18660 22528 21636 17699 18338 3511 43791 48487 4675 3972 25934 26095 10520 10608 897.5865 897.589@5.958 3711 897.589 897.6071@3.1859877 17717 16635 14937 15501 29054 24099 19207 15824 27232 27738 13265 13380 18733 15998 16561 13247 35377 25737 145441 126372 29196 27296 45071 39208 27610 23145 62064 64729 5391 18242 28959 33079 27191 24690 4875 13502 38513 36938 4261 3693 27494 27774 53977 52953 20274 18841 8541 9231 12511 15465 23345 25165 14746 12401 56975 56825 11051 12530 24707 26663 9551 11406 4415 11659 16214 17094 15759 16478 17565 9681 16259 12644 29178 25810 17203 17501 16228 5066 11114 15809 14144 23793 21182 4267 9173 897.6071 897.6073@3.216 8803 4505 16669 13670 897.6073 897.6074@3.3736944 8386 7475 8298 16594 13172 10013 14020 10939 10437 9326 6007 18975 18317 79986 68950 13686 14246 25662 20778 15094 11953 34033 33251 5762 9253 16794 17254 15255 12954 8482 24037 22573 10962 9705 15939 13790 28546 28463 11287 8771 13397 15284 31372 28737 13508 15520 10619 7136 7779 10644 7408 5522 6335 8786 14777 11895 8364 7500 6986 11091 8209 4028 897.6074 897.7843@0.95570004 56205 95926 75928 2766 24239 24106 201150 206451 70947 15845 897.7843 898.0875@5.92509 10129 10293 2761 3182 20542 21483 45889 48109 10524 10832 28251 29417 32002 30184 4443 4218 5664 6010 4213 4069 14697 14083 16247 16735 13509 13419 35777 35978 19705 19726 7728 7607 2840 898.0875 898.5605@5.014625 4384 3267 3522 4174 4005 3912 5001 6014 898.5605 898.5684@1.2025715 16166 16468 2549 2742 2543 10415 9375 3696 3740 5104 4326 2665 6284 6446 898.5684 898.6121@3.173 3068 3694 7346 898.6121 898.7879@0.95475 3613 6163 15241 3980 3809 5886 5228 5180 898.7879 899.4432@1.19 54607 53726 899.4432 899.5703@5.009155 16497 20914 16059 21071 26439 22184 24675 28234 28929 26377 27255 20852 25911 29639 26690 28558 31119 24375 25450 31399 35706 16272 17379 21787 18804 29614 29064 32821 33484 27695 27004 21782 26318 27971 22747 18652 24867 24632 19916 19820 27320 29865 20416 20005 28137 27978 29276 26896 19171 20362 25270 31301 31389 30645 32540 30221 15071 17810 22806 22641 24510 26098 29822 30951 29060 29256 20074 19836 31367 30040 27902 23165 27750 29525 27035 35297 27097 25712 25056 31553 24754 26912 31706 26600 24120 23707 26118 23616 28531 34757 899.5703 899.5723@5.058 1675 899.5723 899.6844@4.928 18060 21000 899.6844 899.7996@0.95414287 26176 37718 37961 11494 6403 8230 5623 5597 33738 33667 5021 5814 96705 86526 13709 7105 18213 19473 19586 19847 18764 899.7996 900.5714@5.0325 11183 16549 900.5714 900.8032@0.9538889 5214 4312 43009 39512 16322 26577 25559 8755 16153 900.8032 901.5724@5.034 9314 901.5724 901.5793@5.041 7108 5218 5900 7899 5705 4442 6881 7932 5945 6825 8667 11222 8933 8854 4501 8315 6736 5235 8318 6091 3554 4078 10070 9910 7125 8058 9210 9907 901.5793 901.8133@0.9548 11612 10433 9542 30926 16884 901.8133 902.5866@5.044 3640 902.5866 902.8014@0.95449996 3372 3521 902.8014 902.8172@0.9556364 4050 15133 15002 18628 19217 40716 41492 12876 7089 3980 8424 902.8172 903.7123@4.936 7502 903.7123 903.817@0.952 3309 903.817 904.3984@1.189 26112 24691 904.3984 904.4055@1.231 2295 904.4055 904.5959@5.892 2456 904.5959 905.2488@0.974 5440 905.2488 905.2579@0.9765002 11251 11034 12359 12586 13244 10786 2820 8587 11607 13740 3872 3200 8515 8194 8465 15091 8711 15933 16477 6466 6417 6665 13036 14034 7184 7174 13340 11433 7815 7303 6463 6545 5746 7788 6464 6604 2451 8062 8296 14052 14558 9562 12021 7506 5906 6298 7084 7283 7210 7162 7940 7850 8032 6518 905.2579 905.821@5.4636507 5177 5263 5841 5532 6388 6333 6601 6164 6158 6252 4925 5392 5923 5738 5881 5766 5713 5219 5749 6515 5506 5340 6110 5982 6109 6176 6395 5880 6435 6591 5384 4752 5765 6009 6075 6420 6073 6285 6539 6906 5779 6012 5053 5632 5859 6008 6053 5942 6383 5970 6115 6451 5746 5702 6083 6098 5995 6133 5852 6180 6296 6251 5782 6137 7214 7405 5705 6290 5486 5445 6103 6514 6480 6185 5618 5950 5863 5732 5619 6419 6034 6677 6696 6618 6001 6121 6352 6336 6583 6415 5851 5713 905.821 906.2588@0.97716665 6294 8818 7560 5344 5382 5444 906.2588 908.2587@0.9755 3070 4457 4125 3612 908.2587 908.6553@5.0495 29056 30184 3977 3788 4506 4158 5090 5126 908.6553 910.565@1.1563333 8787 3051 112790 910.565 910.6693@5.044385 20189 19061 21413 20639 59947 59543 84516 84440 4860 6349 41760 31782 31142 910.6693 911.6229@3.117 9714 911.6229 911.6708@5.053 32989 31786 911.6708 912.6826@5.0614996 39356 39473 31290 21352 912.6826 913.5498@5.0502005 11487 6876 14689 18045 5895 10205 10136 7340 9734 7230 913.5498 913.6885@5.0639997 6397 5719 3721 913.6885 914.4085@1.981 5204 914.4085 914.7012@5.0702224 5834 5658 16835 16077 5905 5905 21404 20334 10035 914.7012 915.5272@5.134488 10361 11042 7566 10028 10057 9977 9835 10505 9238 9437 7848 7580 8887 8409 5930 7919 5835 7155 7895 8204 7097 6817 4719 4285 5035 5112 6893 7862 8562 8852 10335 9260 9760 8980 8634 9566 10068 8152 9299 7464 9336 8932 6459 9261 9653 7698 6606 7838 9330 8829 6945 8552 6884 8032 8759 7391 6622 6385 6470 7107 10187 7117 8300 7071 8182 10126 7643 8218 9127 8882 6722 6469 8813 7478 6905 7598 5276 8022 8523 7329 8575 8413 16381 16614 11335 11063 12260 12275 10376 10079 10407 10838 915.5272 915.5638@5.034 1413 915.5638 915.5649@5.050038 7980 8454 7997 7707 7158 14040 5383 7962 7994 5537 5431 7386 8071 10621 10979 22095 11902 13891 6918 12360 19581 12324 13310 5406 6343 13401 11792 10318 10312 7566 10376 4556 6902 7908 6760 6057 4939 5840 9072 10369 20435 6902 7207 7735 8979 13485 12263 8603 6503 10939 7146 7355 6932 6948 16939 4771 6597 6289 9737 14231 6819 17381 11498 7242 9097 9429 25621 10130 11725 12510 10967 10951 10968 11676 12965 9065 6062 5324 14969 14698 915.5649 915.5695@5.85375 4892 4635 4901 7655 4260 4860 4550 4731 8074 4409 7606 4412 915.5695 916.5627@5.045666 3669 3126 4523 3464 4175 8876 916.5627 917.5577@5.10925 2761 2648 3719 4099 917.5577 917.561@5.1105003 2503 2802 917.561 917.5758@5.078554 3616 10366 10449 11118 9524 8987 9219 10454 8289 15938 13430 2722 8338 19256 17916 18341 11860 9178 20885 19149 13148 13385 10140 7920 8322 9583 9347 10415 6126 13720 13450 13345 9769 11304 11180 11458 13943 18537 22400 23619 13280 13081 13369 13052 14468 7929 5542 7044 10700 9530 11869 13985 12894 15577 14176 15500 14924 20040 19180 21948 20207 12221 6736 20977 25305 917.5758 917.7538@0.9533333 5050 10595 19902 20235 13405 13201 3492 13517 8409 917.7538 919.302@0.95849997 13635 3432 12463 17139 919.302 919.5939@5.0797696 4762 7458 9323 5481 4174 6376 6249 7239 6026 6109 4669 4803 6234 919.5939 919.5999@6.0101666 9875 10203 19320 20174 44421 44671 10859 11158 29233 30097 32849 31492 4433 4542 6185 5865 4232 14157 15606 16779 16123 12935 13461 29118 34471 19295 19707 2585 8554 8484 919.5999 919.6004@5.992 6696 919.6004 919.7679@0.9535625 7844 7460 8736 9344 25587 7873 7492 15043 11761 11874 14144 13799 14022 13672 10527 10654 919.7679 920.1016@6.0097494 6266 6260 12039 11961 26704 27119 6517 6413 17461 17765 18990 18348 2870 2779 3987 3695 8561 8654 9878 9968 7581 7866 20921 20739 11654 11331 4826 4994 920.1016 920.3028@0.958 2867 920.3028 920.5896@5.079 6522 920.5896 920.6015@5.0775003 4649 3525 920.6015 920.7688@0.952 2637 920.7688 920.9915@1.989 20728 14359 26798 20703 23780 920.9915 921.0024@5.5861254 47243 33162 34652 13589 77159 131201 66755 95426 921.0024 921.0025@2.2263713 119953 32138 106069 11260 50377 272869 227427 39671 114577 85540 53758 42552 95762 51400 72802 92237 21756 27913 157316 21267 35656 15973 90233 132034 245802 141324 93965 18772 31909 86607 62923 82806 48141 107526 55714 921.0025 921.0025@4.040909 32533 43380 26523 32034 22014 31042 38054 18445 57754 37846 48536 11718 34103 39802 25318 26332 12274 23591 38023 81178 45523 101102 921.0025 921.0025@13.117 34228 20586 35758 17086 28034 921.0025 921.0025@2.257 21396 31936 921.0025 921.003@2.2483332 18417 40011 28924 34506 22293 39368 921.003 921.0036@2.079871 130057 59148 20739 147763 49197 95387 14212 24675 55036 29012 103148 19334 31336 20794 23895 28259 39775 21666 35353 32989 31438 28242 26040 50599 66385 17916 58613 21163 59724 36925 167323 921.0036 921.0054@2.9765358 33389 57905 69783 63410 11142 19896 43315 102274 23040 28374 104540 25413 46953 44960 21295 24808 39879 55772 66625 29108 50773 33649 22363 22325 42843 55419 27208 88684 921.0054 921.0066@0.9125 69653 80919 921.0066 921.0083@0.69399995 32784 57411 69820 49417 36698 65483 36402 99365 27230 50012 26052 51050 33859 40225 30185 41906 31348 86656 45082 36507 30450 18909 60898 27996 48537 24371 44986 39357 48661 15263 28693 67034 37706 37766 52848 47673 34796 60541 41173 84656 98417 921.0083 921.0085@1.2901483 30452 41364 23464 30005 17038 25227 40758 21357 41450 39045 18903 27363 26140 46206 11044 40831 30670 15026 21236 23363 72801 16620 20623 18779 46715 38839 28523 921.0085 921.0089@1.30775 23272 43775 25486 26800 26252 32086 19530 18321 921.0089 921.009@3.5679998 17163 16293 921.009 921.009@1.421 13479 921.009 921.0091@0.8263215 30573 55147 18914 55159 50714 30806 17616 40456 108992 30045 66253 20892 39384 32821 35475 11820 35802 36051 34535 41683 28602 33077 30723 19596 37444 32478 38114 18892 921.0091 921.0092@1.8613573 74293 27277 22582 31369 22051 16884 37146 38738 65032 31303 26738 49408 51855 39401 44184 26255 31662 49475 43789 19559 54007 46781 45170 40115 62718 54335 25381 90046 921.0092 921.0092@1.5252 25817 16488 14205 26588 17799 25858 13700 15259 23657 26971 38449 41455 34406 19644 14222 921.0092 921.0092@0.6955 36537 9945 921.0092 921.0092@1.381 15935 921.0092 921.0094@0.90257317 104384 30164 120171 102883 67772 114346 53880 49965 120567 103992 95293 126705 88065 47836 107493 107050 38855 47743 111712 82349 115400 63337 20113 94593 92972 88639 99519 107215 65614 20358 46253 104478 82160 102946 118025 26180 107770 123000 131108 87698 55555 85297 73044 93072 24083 69358 66546 86661 100118 128081 63455 92331 101086 79436 84187 107008 78652 61228 85315 75556 43074 95246 65849 48294 83653 129017 88206 60518 70555 62257 65512 56463 51283 117960 122945 65136 63333 37803 45405 81327 220652 148067 209880 156929 96180 135312 212921 178322 921.0094 921.0094@11.474 12224 921.0094 921.0095@2.8505237 42863 31135 20928 47939 37484 71505 54100 27981 50962 57813 103549 30227 33928 19901 45875 26257 92180 42201 100804 39032 37514 921.0095 921.0097@3.796875 25087 17805 42565 24542 36561 17347 7670 26940 921.0097 921.0098@1.833 41869 921.0098 921.0104@4.1972 12816 36312 37304 19465 25309 26436 30758 19361 22516 43062 921.0104 921.0106@9.90175 14248 13664 20402 19310 921.0106 921.0106@10.421499 21026 16446 921.0106 921.0108@8.30125 45481 12304 18851 25454 921.0108 921.0109@5.7532907 26719 17988 30712 31945 17434 27161 30400 24392 35424 31424 40444 18958 13504 28204 40943 26225 27935 29201 53368 59447 76284 62411 58131 45490 921.0109 921.0111@2.7332501 23884 70698 21060 16346 921.0111 921.0113@9.061999 18700 24770 30454 921.0113 921.0113@5.99 33012 36569 921.0113 921.0114@7.491 19320 13322 921.0114 921.0116@6.9645004 44239 27961 18242 39161 36633 22853 14137 29864 30768 22768 921.0116 921.0118@2.445 33019 25834 60806 19892 30549 22768 29966 19486 921.0118 921.2938@0.96 8059 921.2938 921.548@4.9880004 3506 3250 13113 13452 16425 14801 921.548 921.5542@4.9942 6009 11175 11642 2583 7619 7273 3384 2983 11343 9216 7154 7392 2551 2996 2317 3500 3444 10599 8382 9122 9334 9562 3190 8639 8841 11143 12724 11257 11079 9898 921.5542 921.7836@0.952 20422 921.7836 922.0036@2.244 4919 922.0036 922.0042@2.3836365 18720 9488 7103 19966 11527 11774 9760 9388 2866 35343 21969 922.0042 922.0044@0.85733336 4309 10260 28610 922.0044 922.005@2.1483333 9890 10621 15612 4486 29880 7479 7173 8258 4645 10839 4346 73954 922.005 922.0097@1.8605 3248 4023 922.0097 922.0107@2.8568182 10162 10705 4019 14312 10116 9957 21034 17062 8505 8678 4125 922.0107 922.0108@1.2585 2972 9762 922.0108 922.0113@0.68125004 4718 6140 12911 13890 4088 2352 7641 5350 922.0113 922.0113@2.999667 12870 6319 5044 922.0113 922.0121@3.8361251 5743 4662 5975 4009 5832 2854 6065 2463 922.0121 922.0128@4.134 8344 922.0128 922.0379@2.109 3607 922.0379 922.3@0.959 4835 922.3 922.7852@0.9546 2549 5314 5488 3575 2508 922.7852 923.0049@2.2175 4370 2650 923.0049 923.5685@4.9938545 6021 2874 3173 4438 10081 5512 5338 2908 2922 4946 4816 9100 9634 4428 4981 5963 3905 5357 5009 3553 8343 5502 5674 10250 4998 4844 4888 6683 7004 4809 5788 5674 3933 5269 5242 5033 3141 5281 5846 3899 4017 6110 4486 4421 4375 4626 5749 5518 923.5685 923.7989@0.95250005 8909 13576 5977 14535 10235 8012 923.7989 924.5736@4.994545 5084 3429 6021 6238 8792 9529 5423 3966 4980 4964 4403 6147 5693 5334 5477 5368 7793 6400 5956 6135 4412 5696 5760 5680 5739 4907 5085 5365 5893 5606 5666 6373 5822 924.5736 924.8014@0.95199996 10429 10472 4820 924.8014 925.812@0.948 2982 925.812 926.5609@1.192 3454 926.5609 926.6709@1.0130998 4846 4616 3275 3892 4592 4593 4653 4505 5219 5260 4469 4584 4268 4835 4115 4533 5238 5217 4889 4544 3673 3245 4214 3927 2990 2650 4316 3672 4304 3877 2953 3610 5270 4805 4293 4122 4607 5356 3137 2762 3363 4101 3329 3360 2972 2977 2340 4464 4302 4969 5169 5413 4940 3872 15009 3775 3551 3976 4086 5494 5503 5050 5123 4814 4606 3665 4375 5471 6266 926.6709 926.8149@0.955 8112 7469 926.8149 927.3671@1.3 4334 5806 6393 9547 9040 927.3671 927.8242@0.957 3545 4038 927.8242 929.4844@1.2060001 3820 3774 929.4844 930.489@1.012 4086 930.489 932.6057@0.9885 21708 20902 932.6057 933.6395@0.98344415 23848 22447 16105 15500 8489 7862 19586 20155 25730 25219 12563 12093 10818 10631 13687 13249 25546 25765 18540 18668 5300 5185 15487 15274 6772 6940 22342 22142 4943 7250 7145 15068 14255 5591 4831 27923 27987 8960 9080 5807 5407 15592 15490 20504 20435 11962 11964 8684 7701 6325 6710 4671 8681 8964 933.6395 934.3136@4.2155 4997 5281 934.3136 934.4402@1.0402501 3354 2870 4539 4468 934.4402 934.6691@5.0266366 16508 17168 12844 12564 61724 48628 35927 35383 27937 17682 27030 934.6691 938.701@5.0291247 5468 3761 11597 7921 5051 5357 25077 26207 938.701 939.5276@5.05 4265 939.5276 939.5466@5.0352273 7744 7323 8909 7108 5698 6280 6128 4841 4464 8913 5959 5704 5289 5019 5425 14160 8246 3696 10744 7449 8399 8267 939.5466 939.5553@5.0235558 7147 12886 6820 6414 6096 5794 4739 6812 5866 11018 9105 9232 7776 10670 6774 6733 6380 6227 5037 6760 6235 7382 6986 8285 11417 8598 6318 8162 1309 16125 13504 13433 8366 6273 10243 11409 9895 6706 6581 6992 9732 7459 11431 12958 11178 14239 8279 6511 7751 6293 5536 10761 12288 11309 939.5553 939.703@5.0264997 4595 16185 3850 6916 939.703 940.712@5.03925 6038 5763 8551 8602 940.712 941.542@5.078 6708 6562 9129 941.542 941.57@5.041 3601 941.57 941.5812@5.0084515 8742 8459 6957 8263 7487 8645 8804 2606 13420 4370 5088 11269 11562 4683 5211 13230 7133 4624 4887 7183 6978 7703 10721 12922 10100 3531 8818 4637 5044 4342 11784 17386 3880 3913 3898 8950 9044 9041 13138 5380 16864 14611 10660 3360 5261 5144 16439 4289 5031 8961 9057 941.5812 941.6124@6.0950394 6929 6831 12964 13352 31447 31074 7327 6489 20694 20884 20510 20987 3887 4568 9330 9293 10762 10469 8860 8887 24827 23730 12132 13122 5081 5044 941.6124 941.6338@3.5013196 9458 9948 8016 9025 16410 17635 8224 8448 15269 15524 7433 8142 8307 8124 8839 9609 23451 19615 83317 84266 12208 11891 23647 24455 15725 14618 34982 32147 9894 8258 20446 19341 17432 19581 10526 10261 19725 22462 9929 10752 14273 14580 29696 29977 10480 10367 10252 9206 11834 11642 9097 8539 36980 37177 7454 13825 15045 4872 9157 8626 10117 10927 7403 6637 6683 7287 7298 7239 17795 16416 9160 9009 8650 9115 9552 11176 11348 6480 941.6338 941.6339@3.6055882 11261 10397 8878 8213 6488 12385 14585 51189 47527 3931 15375 12817 8989 8510 19415 23042 10274 11704 10737 10807 13179 11080 5956 8129 7758 19010 18834 6541 20311 18839 7882 8030 8309 8866 941.6339 941.7625@0.959 5686 941.7625 942.1136@6.0946803 4806 4790 9575 10174 23210 24153 4520 4075 15202 15041 15018 15967 2736 6057 6950 7674 7520 6847 6866 17267 17223 9177 8880 3185 3108 942.1136 942.5854@5.009 3063 942.5854 942.5956@1.20325 9527 9893 5959 6064 2827 3065 2828 3574 942.5956 942.9827@4.2495003 9264 2941 942.9827 942.9831@6.395 7266 7272 3875 4699 9107 7450 942.9831 942.9832@6.602 2190 3251 942.9832 942.9835@6.094 7175 942.9835 942.9836@13.3235 4784 2267 942.9836 942.9847@3.931 4478 10081 11403 4595 942.9847 942.9913@6.714409 7273 9536 3072 4298 3392 3464 2750 2622 4757 6510 3739 4923 6260 4586 3826 4364 5267 2661 5884 5628 11545 10703 942.9913 942.9916@6.319027 2914 4550 5636 8330 4801 5468 3436 7821 4444 5003 1993 2575 8885 4236 8443 3195 3907 10323 8608 2507 10645 5797 3066 5246 4613 9702 9504 8132 7859 7756 13702 12438 13975 16024 13570 14473 18142 15222 942.9916 942.9918@5.371 3401 2751 4595 5046 3339 6604 9455 4092 2371 6114 3451 4122 5983 4073 10078 3144 7228 8395 5777 942.9918 942.9923@6.913264 8317 6896 7167 5021 6746 8777 4854 7231 5687 5662 16516 9721 2933 8373 5884 6038 6302 5756 6380 7993 5649 7979 4303 5765 7806 7822 13143 3237 10313 3156 5043 2534 7696 7763 7607 7385 6445 7539 3903 3758 3980 6157 7336 6169 7749 6635 2636 4058 1886 6706 7575 4794 6712 6547 3048 6084 2295 5210 5686 10805 13883 32058 19001 18882 42097 26563 4250 4517 942.9923 942.9926@7.366769 7518 7384 7281 9144 14552 8479 11401 8531 15191 6690 9233 2526 10106 7359 11785 15650 7790 6533 13207 7858 6341 4706 6619 8165 8341 18415 942.9926 942.9927@7.105376 3956 9430 20601 11324 9451 7232 8881 20392 6355 6171 8488 2667 3653 13715 21590 10614 3960 3145 4581 3759 8840 3073 9634 6132 8381 4442 21877 7888 17320 14086 17425 18970 942.9927 942.9937@6.5654383 8278 5718 3324 3532 5555 6386 7371 3687 3214 6327 6757 6617 3450 4197 4073 4502 2699 7418 4018 6198 11026 12205 4181 2897 3540 3287 8638 2789 3660 3173 3847 3720 3045 4003 2828 4742 3084 4422 5446 5365 4763 4204 5399 2996 2774 2778 6939 7159 9495 3036 6317 3051 3117 3406 3437 3953 3629 3200 4091 7672 2502 2903 3195 12622 10752 8530 11722 12050 2194 5408 6288 12599 12744 942.9937 943.0005@6.087 2181 943.0005 943.4695@1.191 10939 11281 943.4695 943.5609@5.074333 4355 5010 2544 943.5609 943.5962@5.0046782 5265 4389 3677 3669 4883 6076 7196 4458 5554 5661 5687 6035 7163 6998 4604 10863 9640 5489 5203 5275 3093 5086 3311 7862 13484 4786 6893 4946 6724 4029 9312 4695 3515 4051 10761 4780 8865 5140 7769 4958 6405 5068 4383 5134 4212 4888 8250 5191 4590 3832 6570 10290 8356 7551 10718 9311 13090 6931 10734 5548 13437 16796 7797 8018 8767 943.5962 943.7701@0.9555 7982 7847 6107 5285 943.7701 944.5905@5.0043683 3265 4107 3920 4504 4132 3895 4814 3533 3845 3587 3488 3963 2807 6337 4051 3559 3651 5749 9371 944.5905 945.6113@0.9835 93334 90250 945.6113 946.5437@0.944 6463 2857 946.5437 947.0481@0.9455 6472 5500 947.0481 947.5495@0.943 3646 947.5495 947.7972@0.9575 8081 8606 947.7972 948.425@1.19 3801 948.425 949.6343@1.017 2811 949.6343 949.6349@0.98774284 18064 18163 12738 12358 18169 18339 21403 21910 11547 11694 8725 8423 11900 11769 24581 24443 16262 16040 13418 13249 20126 19937 6263 5867 8274 10943 24613 25376 7687 8146 9826 10165 6813 7654 5769 949.6349 950.568@1.006 7613 8220 3866 950.568 950.7993@0.954 9791 10942 950.7993 952.5544@1.0415001 2511 2327 952.5544 952.5664@1.0385652 3679 3964 2815 5379 5298 5394 5027 2790 2818 2949 2664 2252 3768 4617 3893 3256 2847 7286 7125 2901 3094 7065 6900 952.5664 954.7048@1.0145 4120 4191 954.7048 958.9556@6.5856667 4987 3917 6049 958.9556 958.9612@5.466726 6593 5914 6782 6949 6137 6824 6048 5837 7198 6303 6096 6049 4374 6227 5143 6792 5969 6238 6357 6417 4480 10337 4558 6252 5473 6636 7472 6285 6601 6797 6214 6200 8067 6623 6273 6552 4644 5741 6220 5920 5659 6918 7211 6970 6180 6578 5547 6543 6403 6867 4934 5861 6594 7050 6080 6606 5713 4087 5677 5566 7324 5564 6070 4818 3722 5690 5130 5731 5880 6848 6443 6447 6607 5933 9339 7224 4634 5461 5974 5183 7608 5653 13028 7048 12801 12622 10791 12281 10270 10203 12719 8908 958.9612 958.962@5.596077 19869 18303 21610 6596 13524 17533 7321 8557 7461 18095 15894 20030 49506 19161 24486 19139 46532 20811 28145 15974 16500 15673 7337 6434 19772 12841 19023 16507 20104 14194 5588 17485 17313 24148 20346 15626 25390 15745 9743 6659 6329 15406 21751 19323 6389 15505 20381 14936 19391 8219 13201 20158 36493 15272 48067 69167 26406 28949 46116 42651 48874 31017 37954 46485 958.962 958.9644@5.5193815 5438 5940 4903 5500 4553 15671 17831 5937 4585 15706 6720 5911 13759 15130 14502 18328 16089 19109 6573 5648 7571 14585 6309 5733 17112 7161 11635 5887 6783 14496 6733 15457 15520 20040 12128 16783 17222 20671 6906 14658 6493 13609 8032 11186 6769 7218 6822 21156 13495 16682 26184 7073 16413 6447 13497 7424 6634 13608 41951 14157 12690 14109 28525 37385 6741 7147 47635 11719 958.9644 958.9658@5.7758307 5455 5533 4748 36899 4478 5669 3813 4859 37025 5573 5134 7930 25991 4444 4555 5794 5603 6021 5978 2540 4377 3688 4855 3542 3942 4286 4710 5450 5865 6004 37693 6145 7417 3213 7603 4949 3981 5182 23657 5423 22821 4303 4676 4289 5641 5149 4936 3925 4616 4984 3748 4834 4889 4644 4384 2811 3545 31851 6719 6948 4510 5599 6249 7373 4873 5507 5298 5061 6393 12262 5052 5208 4793 4889 4112 5005 19842 3353 34748 40289 33636 37994 958.9658 958.9659@6.239267 3532 3454 6517 5354 7123 2277 7709 4757 3063 9147 33128 29635 8878 4138 9046 958.9659 958.9659@6.8924766 7000 2369 9372 4264 4828 5634 18561 17145 14681 5308 4974 7180 4039 4741 6215 7060 4809 7086 5195 15876 5167 958.9659 958.9659@6.1946 5565 7762 6530 7562 3743 958.9659 958.9663@6.2161703 6265 10211 11798 4575 13009 4396 7539 21563 3096 5517 6064 3909 8025 17558 12857 4517 6935 4089 3483 19684 5203 17565 17558 11404 4526 5072 5652 3681 2864 8482 2558 3684 4227 7345 10038 14981 7324 4669 14582 6853 19305 18656 15699 29962 5430 9196 37268 31644 34902 7099 37536 27461 9195 958.9663 958.9664@5.6601 34845 36527 35439 19547 36405 36387 41964 17410 39119 39510 37169 11672 22331 51745 37947 32303 27164 30274 27450 38624 36145 20028 14746 35511 36668 28301 36770 41038 51032 18746 33705 42316 38406 38527 21910 37105 35525 18953 39706 35687 15243 33527 38540 36072 26764 29429 26010 42413 37077 35861 29953 27113 6220 32510 16564 7196 38969 41456 34698 45632 35016 10472 21232 33210 27734 5226 39281 27588 21093 34954 29187 25876 32505 29817 34007 59651 55667 25033 49388 40702 958.9664 958.9664@6.6168914 9591 4609 5503 5310 5724 6242 4266 4918 5933 7133 5222 2930 3215 4299 4364 7507 7370 3348 3482 2453 1957 2591 6430 2348 2460 2618 2643 4531 4841 3530 2150 2112 3506 3775 3511 3829 4310 3844 7320 6580 6238 5618 2474 2529 12343 7491 1844 7052 5297 1857 2225 2941 3818 1872 2793 12470 10592 15181 14321 6182 6028 3497 3516 13220 3860 958.9664 958.9665@5.864101 16824 17141 2388 12433 1668 5332 15538 16963 18646 5902 18666 21740 13837 20020 18556 14832 21749 27806 26069 22819 14887 23384 8845 21722 25322 15380 18720 16490 6242 10181 17928 5500 23453 6033 11263 9920 22710 23292 22656 21237 20840 23519 22440 24723 29334 20133 22377 27747 23691 25663 5890 16051 16221 22040 4672 17048 19042 13806 17240 24266 23485 24603 21986 23931 22310 21458 15880 4247 22536 35540 5870 6438 13367 31074 5833 7481 29972 14090 5049 958.9665 958.9665@7.005 3616 5465 4019 4526 8572 7151 6273 4946 2999 958.9665 958.9666@5.313232 6836 3212 4335 5524 5992 4205 4038 9483 5795 4233 18894 5419 9911 4054 6293 7249 5995 19506 6500 13562 6858 6178 5061 7075 3803 6318 7795 3290 5172 4484 7938 8647 3576 6082 6860 9076 4927 6299 10882 8122 7290 12291 6863 8886 10085 4749 3970 3300 7953 3593 6347 6886 6078 4976 10063 6234 4445 3819 10655 6994 6985 8145 10545 8092 5844 7106 13009 14219 14683 958.9666 958.9667@7.254303 9310 6749 4801 8440 5535 18773 16888 7750 5297 4874 7064 7329 4847 2308 4602 4153 4768 8587 25825 2146 5826 6641 7616 15965 3387 5783 4388 8912 5543 8403 14348 17728 13368 958.9667 958.9671@6.9616666 7370 2660 2180 6166 3038 4369 6821 2299 2965 8898 5038 5836 4389 4389 6721 5339 7007 7212 1882 4196 3695 5850 2451 2880 6225 6326 5944 17212 5915 4314 6495 5449 5752 5580 6178 12611 10144 4281 5581 7104 6942 7128 1827 6360 2473 4054 5727 5779 5919 6962 5655 4990 4732 4405 17326 4051 5211 6988 14088 3727 12365 19085 7979 37154 25637 13876 958.9671 958.9673@6.007915 3106 18686 4313 7918 5519 15149 9751 11525 12116 12215 10697 10150 4554 5007 4967 3410 5073 18654 12116 6404 8400 15362 4047 5031 3619 12790 7905 5431 17774 5806 2663 3660 4033 12008 6195 8872 10660 5030 3163 3976 14794 5735 7398 4617 10493 11199 14319 3685 3728 5812 5796 19806 18759 5227 4846 4100 4498 4802 7270 9077 5820 3715 4528 8508 9653 21541 5496 7915 7505 24815 25627 12498 958.9673 958.9675@7.4725 4814 5533 958.9675 958.9676@4.914364 7968 7996 6372 7961 6336 7992 7324 6224 5555 9346 13156 958.9676 958.9694@6.553 3262 958.9694 959.5961@5.966166 6590 13670 4444 5149 4811 7620 6982 4424 7652 6976 7189 6633 959.5961 959.9582@5.646 4018 3113 10568 959.9582 959.9605@6.157 14901 959.9605 959.967@5.6390586 4947 9275 8965 10346 10762 8459 5151 9467 5018 9723 4851 9048 8187 7441 12416 9326 4021 959.967 960.9579@5.624 7521 960.9579 963.6262@6.177053 8553 8259 20966 21038 4232 13297 13077 14058 13665 6368 6134 7009 7354 5471 5847 15590 15936 7259 8121 963.6262 964.1274@6.1775913 3416 3866 6013 6564 16139 16281 3698 3518 10378 10093 11010 10689 4586 4847 5661 5605 4188 4243 11696 11760 5701 5952 964.1274 965.5603@4.9977503 6376 6572 12135 11412 965.5603 965.5681@4.9935503 6024 8253 7853 6646 5907 7087 7581 7554 10267 7899 7619 6215 6133 6565 7641 9248 7657 6748 12544 11914 965.5681 965.6299@0.9918 4573 4979 6932 7181 8384 8426 8175 8758 9099 7208 965.6299 967.5745@5.001944 2175 4761 4740 3431 3777 3774 4325 2731 4182 3665 3371 2411 2506 9328 9291 9404 4236 4267 967.5745 967.5785@4.996267 4115 3990 3339 2754 4501 2943 2635 5062 2788 4634 2619 4060 4944 4664 2693 967.5785 967.5862@4.993555 5579 5611 8900 8032 3506 3114 6073 3164 5521 7308 4848 2634 2471 5024 2676 5233 5263 5849 967.5862 968.5814@4.992 2067 4281 968.5814 971.482@1.0183113 48784 50220 47522 47361 55981 55610 93936 95286 73367 75256 22318 22246 25543 25685 14094 13279 12283 11487 13158 12570 26398 25608 24000 24189 15663 15411 30911 30383 14081 14153 62862 61202 44103 43385 59856 58851 38050 38375 83770 85942 44165 45672 11833 12271 20124 20899 21468 20021 29487 30405 52144 52411 31318 33030 28641 27734 19031 18615 69191 70065 80950 82289 78542 79949 57351 57999 56708 60117 71990 69276 58785 58769 40922 41439 32298 31880 43104 22076 43650 19304 19152 20198 19168 18711 54072 54072 48125 48402 86930 86196 41163 40090 971.482 971.9842@1.018193 41601 42097 40573 39922 49481 46733 81129 81473 58731 65607 18132 18657 21853 20098 10972 11348 9938 10002 11219 10162 22016 23127 20910 21976 13059 13164 27493 25963 12686 11982 54077 53443 37786 34533 50875 47188 33584 34219 66909 72826 38624 39069 10154 9984 16509 17757 18036 18393 25565 23334 43327 42974 27847 28008 24842 23686 15841 16527 60443 59754 69329 68527 66593 67057 49884 50901 47705 48635 55629 57976 49465 49647 35361 35337 28736 27687 38102 19696 36426 15082 16340 16803 16506 16770 47055 47891 41771 41345 75276 73700 35022 34400 971.9842 972.467@1.088 2454 972.467 973.8081@5.4636946 3715 3663 3777 3961 3702 4143 4363 3927 4303 4261 3826 3431 3363 3806 3434 4354 3791 3535 4013 3982 4081 3586 3656 4422 3776 4085 4346 4204 3690 4118 3177 3585 3888 3788 4267 3925 4136 3979 4096 4060 3458 3926 3013 3388 3680 3916 4097 3667 4032 3963 3746 4043 3587 4026 4479 4327 3878 4209 3999 3966 3577 4051 4089 3671 4614 4784 3801 4227 3709 2908 4008 4172 4225 4569 4269 3543 4018 3723 4291 3562 3999 4585 4507 4557 4038 4047 3818 4265 3867 4297 4040 3247 973.8081 973.9623@1.015625 7254 2174 2541 5240 6356 8167 3007 5910 973.9623 974.4505@1.015 4031 974.4505 974.4625@1.0157552 4400 4492 4459 4173 4309 4238 7693 7831 6792 6770 1485 4327 5196 4046 3773 4830 5973 4169 3983 7545 6137 3518 3529 1475 3006 1483 4183 4479 6374 5751 5600 5946 4454 4830 3692 3726 4774 4116 3646 4135 3013 2644 2324 7193 3957 5855 6103 3822 3651 974.4625 974.7766@0.945 4957 974.7766 974.7905@0.9467143 3779 3984 3856 6482 5864 6149 3792 974.7905 974.9632@1.0171819 1791 1839 1810 2000 2100 2727 3114 2552 1913 2005 1761 2173 2784 2625 3594 2214 2320 1989 2298 2214 2469 2420 974.9632 976.8011@0.95 4279 4523 3069 3767 8889 976.8011 977.8055@0.948 2848 6489 977.8055 978.8166@0.944 2571 978.8166 984.7863@1.069 4131 984.7863 985.6372@6.260126 4966 5477 13605 13451 8719 8239 8827 8886 3701 3811 4722 4560 9681 10268 4861 5071 985.6372 985.6614@3.7434475 9929 15536 6950 5677 12783 12688 44422 45917 8728 7953 17226 8588 11871 20265 18688 10540 14285 7332 7772 7635 4563 8867 7932 8328 7538 16147 14779 6287 10626 18550 10008 3525 5364 4051 8390 9025 5880 5148 985.6614 985.6618@3.7968001 6083 8803 8706 30066 28228 4394 4367 6088 9692 11063 5705 6554 6797 11156 7797 11168 6634 12771 9882 7142 985.6618 986.1391@6.2603345 4058 4290 10106 10069 6625 6731 6408 6863 3068 3291 3196 7228 7934 3919 3978 986.1391 986.6232@1.20525 5532 5421 3067 2690 986.6232 986.6657@3.7629998 9222 6025 13784 986.6657 987.4949@1.2035 16702 15696 987.4949 988.6471@6.507 3290 988.6471 988.657@6.516264 3877 4269 2797 3610 3549 3111 3427 2677 2941 2940 2937 2956 3921 3506 4826 4776 3493 10524 9749 988.657 990.6752@6.5034995 50922 52330 54604 51071 50307 69937 116370 115931 22038 148141 83484 85994 60319 179259 80149 56546 43527 97484 118160 108119 160738 153379 113547 67239 990.6752 991.0555@6.495 2209 991.0555 992.4525@1.2035 4943 4894 992.4525 993.3197@0.95633334 6992 7946 7993 993.3197 996.6808@6.5078936 2301 2846 3081 3219 2965 3818 3501 3406 4282 4521 2770 3349 3620 2924 3292 3073 3629 3884 3089 996.6808