Compound m/z Retention time (min) PP_A_09_7 PP_A_09_8 PP_A_09_9 PP_A_09_10 PP_A_09_11 PP_A_09_12 Formula Identification RefMet name HMDB ID ChEBI ID CAS ID Confidence 0.04_151.9224m/z 151.9224 0.04 246.7495 183.8065 122.2239 194.3478 130.3490 134.3377 0.07_195.9120m/z 195.9120 0.07 179.7782 156.9438 109.9653 149.1340 124.8361 135.5582 0.12_239.9022m/z 239.9022 0.12 1184.7051 1114.6519 1028.6097 1090.4062 1050.3757 1132.1162 0.49_392.8953m/z 392.8953 0.49 164.7085 156.1793 172.7484 165.4225 172.4478 177.8685 0.49_434.8729m/z 434.8729 0.49 7693.9760 7266.2402 8024.5424 7510.5889 7757.7778 8134.1212 0.49_564.8314m/z 564.8314 0.49 4806.6401 4469.0223 4988.1025 4639.1938 4603.4709 4966.4738 0.49_568.8217m/z 568.8217 0.49 439.4628 434.4208 475.7971 464.8984 441.4424 482.6735 0.49_671.8285n 652.8107 0.49 1446.2685 1473.8212 1569.8045 1502.9384 1375.0348 1576.2579 0.49_679.3121m/z 679.3121 0.49 169.5046 168.9782 197.1645 155.2465 168.2818 187.9460 0.49_752.2801m/z 752.2801 0.49 140.5107 91.1782 150.0868 86.8014 128.2342 116.5697 0.49_809.2720m/z 809.2720 0.49 411.6933 406.3477 442.4935 426.7900 371.5269 428.7452 0.50_118.9666m/z 118.9666 0.50 298.1401 257.6179 275.0923 253.4200 277.4707 257.9757 0.50_174.9560m/z 174.9560 0.50 13865.6898 12881.8928 14015.7478 13020.9274 13319.7272 13755.2485 0.50_262.9358m/z 262.9358 0.50 104.7714 106.5884 134.2508 129.5416 113.3992 126.6306 0.50_293.9311m/z 293.9311 0.50 30.4960 31.2996 24.6375 27.2779 28.4895 35.3290 0.50_304.9142m/z 304.9142 0.50 14320.5404 13333.2354 14893.7568 13756.6782 14018.2593 14581.3854 0.50_438.8637m/z 438.8637 0.50 493.4199 468.5318 501.2346 489.3674 492.6177 504.9323 0.50_505.8617m/z 505.8617 0.50 51.9249 63.8006 54.5992 67.1058 54.7621 59.8483 0.50_522.8537m/z 522.8537 0.50 495.2627 521.5381 559.3959 513.4127 511.0579 546.7375 0.50_538.8356m/z 538.8356 0.50 433.6407 527.4591 532.5527 504.7816 422.1907 536.6422 0.50_548.8539m/z 548.8539 0.50 7533.1946 7129.7750 7744.3815 7284.2160 7441.8666 7943.2905 0.50_552.8427m/z 552.8427 0.50 589.3324 608.5681 614.9917 603.8304 541.8971 632.7509 0.50_614.3317m/z 614.3317 0.50 31.8149 42.7524 42.1780 42.3305 44.0695 44.0589 0.50_621.8219m/z 621.8219 0.50 252.8583 233.1420 252.8052 222.9733 239.4893 248.7871 0.50_646.8556m/z 646.8556 0.50 751.0518 797.4730 787.1428 797.0119 737.3950 835.8900 0.50_662.8340m/z 662.8340 0.50 2676.2645 2640.8453 2796.3557 2658.6072 2536.4803 2875.3042 0.50_669.8367n 668.8033 0.50 967.5650 999.7862 1068.4493 969.2928 884.9747 1081.2729 0.50_671.3227m/z 671.3227 0.50 204.9772 182.5678 181.6961 183.5539 186.5426 181.1865 0.50_678.8124m/z 678.8124 0.50 4400.6091 4082.5810 4439.7722 4202.0277 4109.7788 4415.0385 0.50_682.8038m/z 682.8038 0.50 360.7046 349.6631 358.2244 347.4815 333.8870 354.5286 0.50_687.3006m/z 687.3006 0.50 84.8254 65.3577 68.4661 63.6515 77.7040 74.4038 0.50_694.7897m/z 694.7897 0.50 2771.3851 2694.1628 3020.8533 2773.1645 2622.1770 2925.0552 0.50_728.3147m/z 728.3147 0.50 282.5218 282.2684 314.4399 268.7894 296.7112 312.9025 0.50_736.3035m/z 736.3035 0.50 363.3672 328.8460 393.4076 366.0582 366.7398 381.9789 0.50_744.2920m/z 744.2920 0.50 320.8888 259.2871 323.2291 265.6000 286.2651 331.7957 0.50_785.3049m/z 785.3049 0.50 426.2622 415.9524 471.7892 450.1425 411.8965 479.6804 0.50_792.8131m/z 792.8131 0.50 5733.4533 5834.2318 6292.6449 5887.0264 5498.1757 6096.8659 0.50_800.7943m/z 800.7943 0.50 1251.2096 1248.2330 1323.6645 1307.3330 1194.2630 1349.1175 0.50_808.7709m/z 808.7709 0.50 4542.7691 4552.5843 4938.7019 4480.3896 4255.0744 4828.1132 0.50_824.7478m/z 824.7478 0.50 2078.0906 2058.3600 2322.8711 2091.1429 1929.5136 2245.0223 0.50_843.2900m/z 843.2900 0.50 606.3971 620.5911 700.1708 664.9713 561.5813 685.9135 0.50_850.2926m/z 850.2926 0.50 984.8048 1031.3258 1052.3674 1022.6681 858.5036 1068.9055 0.50_866.2664m/z 866.2664 0.50 653.3118 667.0954 763.2572 660.9777 591.5921 725.8322 0.50_906.7843m/z 906.7843 0.50 3903.6526 4041.4727 4298.3774 3993.3547 3811.4477 4080.7287 0.50_914.7748m/z 914.7748 0.50 1241.9947 1228.3955 1326.6853 1237.4111 1219.8148 1328.3165 0.50_915.2797m/z 915.2797 0.50 912.6778 921.9278 987.9971 894.0306 885.7419 967.0499 0.50_923.2558m/z 923.2558 0.50 762.8673 767.1876 881.0237 808.5684 640.9659 815.9630 0.50_930.7540m/z 930.7540 0.50 811.8997 868.1969 996.3436 887.7803 756.4097 936.3609 0.50_931.2434m/z 931.2434 0.50 576.6641 582.6551 691.8435 557.6527 536.2816 568.1885 0.50_980.7519m/z 980.7519 0.50 2365.0012 2403.2200 2546.8487 2434.5538 2375.0616 2509.7396 0.50_988.2351m/z 988.2351 0.50 674.7508 693.7588 812.9401 712.9026 550.1225 730.3864 0.50_996.2246m/z 996.2246 0.50 449.9794 445.2471 500.8719 496.6971 449.0872 504.1715 0.51_130.9667m/z 130.9667 0.51 1533.0219 1440.2292 1533.0152 1459.4204 1511.9256 1604.0521 0.51_146.9611m/z 146.9611 0.51 3920.3726 3543.5977 3827.5873 3550.8947 3596.7220 3674.9025 0.51_178.9493m/z 178.9493 0.51 209.1284 200.0100 208.2142 211.0432 209.5401 210.3047 0.51_246.9556m/z 246.9556 0.51 75.6100 84.1603 78.6138 82.1848 51.4150 87.7454 0.51_272.9597m/z 272.9597 0.51 5195.2994 5145.1673 5335.9922 5210.2206 5050.9945 5494.7564 0.51_288.9371m/z 288.9371 0.51 14475.9671 13858.9249 14977.7127 14373.0597 14184.3741 14899.5087 0.51_292.9304m/z 292.9304 0.51 246.0394 239.4118 258.8779 226.5189 242.4266 264.1382 0.51_308.9076m/z 308.9076 0.51 436.4765 337.8032 399.7833 390.3651 435.8287 379.6752 0.51_386.9397m/z 386.9397 0.51 377.6350 417.8598 392.4406 390.8076 389.8636 410.0036 0.51_402.9178m/z 402.9178 0.51 4805.2317 4620.3737 4847.7669 4717.9196 4705.6338 4946.1696 0.51_418.8953m/z 418.8953 0.51 10203.1666 9738.0220 10600.9143 10008.3666 10129.2513 10659.3064 0.51_422.8875m/z 422.8875 0.51 478.0905 430.9844 463.1559 447.2048 479.9820 469.7467 0.51_506.8676m/z 506.8676 0.51 289.2329 280.3096 296.4610 319.2940 291.0333 316.7845 0.51_532.8757m/z 532.8757 0.51 4771.3131 4597.7302 4802.1894 4675.3933 4635.1546 4859.7928 0.51_588.8405m/z 588.8405 0.51 83.0668 107.7265 101.2762 108.6187 93.5987 96.7546 0.51_698.7839m/z 698.7839 0.51 282.3303 288.8477 345.2973 281.3673 262.6090 309.2350 0.51_713.3153m/z 713.3153 0.51 39.4180 48.6921 48.5760 55.4142 44.9286 40.5008 0.51_770.3006m/z 770.3006 0.51 120.6760 173.8974 178.5550 164.6372 161.8609 190.9600 0.51_778.2987m/z 778.2987 0.51 257.6644 270.7904 268.6748 276.4436 217.3939 299.3679 0.51_793.2951m/z 793.2951 0.51 557.7393 551.4845 572.0225 524.1804 532.1513 583.7331 0.51_835.2984m/z 835.2984 0.51 651.3351 645.9412 647.2743 688.2532 648.4179 645.2827 0.51_908.2768m/z 908.2768 0.51 1094.8032 936.3005 1095.0692 1059.1290 981.6998 1011.1366 0.51_972.2677m/z 972.2677 0.51 979.0881 1017.8885 1054.8766 1032.1330 916.5973 1045.6304 0.52_490.8745m/z 490.8745 0.52 106.7216 106.0797 100.8886 92.5084 125.3054 110.5180 0.52_503.8638m/z 503.8638 0.52 78.9319 74.5483 77.9096 66.3967 60.3516 66.5207 0.52_574.8486m/z 574.8486 0.52 90.5193 76.7590 87.6472 83.7884 84.8389 78.2350 0.52_600.8622m/z 600.8622 0.52 451.1774 510.3935 557.9381 509.5923 400.5283 525.1598 0.52_616.8406m/z 616.8406 0.52 1539.2623 1501.5666 1616.3003 1493.1908 1518.6201 1588.1393 0.52_632.8190m/z 632.8190 0.52 871.2359 808.0155 858.8756 825.8759 847.5277 891.2126 0.52_705.8157m/z 705.8157 0.52 78.3769 87.5818 89.9622 75.1784 79.0281 75.0514 0.52_762.7876m/z 762.7876 0.52 848.0175 983.8441 1036.3306 994.3663 828.4081 1049.3663 0.52_827.2941m/z 827.2941 0.52 169.2841 169.4577 209.8334 152.5546 165.6031 213.9818 0.52_950.2811m/z 950.2811 0.52 430.3402 431.8829 473.9777 408.4185 368.2213 416.1513 0.53_114.9890m/z 114.9890 0.53 989.0960 965.5241 1000.5650 996.6040 970.5060 1020.5049 0.53_158.9787m/z 158.9787 0.53 3508.3385 3395.9690 3483.7633 3399.1341 3324.9871 3554.9961 0.53_356.9245m/z 356.9245 0.53 572.8408 509.6622 561.0191 513.7970 527.1257 554.7339 0.53_372.9021m/z 372.9021 0.53 475.2647 439.6988 493.7377 491.1857 471.3501 493.3927 0.53_424.9115m/z 424.9115 0.53 950.9336 830.7694 930.5475 886.9173 920.1929 931.2511 0.53_440.8888m/z 440.8888 0.53 1094.0934 971.1129 1076.4758 970.2277 1041.5366 1079.0623 0.53_471.9062m/z 471.9062 0.53 131.4122 126.5212 111.8858 130.6151 126.3838 127.5355 0.53_486.8826m/z 486.8826 0.53 707.4016 637.3771 715.3568 646.7807 650.5889 713.5658 0.53_502.8603m/z 502.8603 0.53 800.7239 731.8286 796.9518 760.0518 752.1922 834.6038 0.53_508.8751m/z 508.8751 0.53 1095.5175 979.0193 1138.4526 1016.2770 1016.1625 1073.8528 0.53_554.8622m/z 554.8622 0.53 763.2718 757.8875 804.6023 745.1539 750.7933 795.6833 0.53_556.8592m/z 556.8592 0.53 281.1105 304.1423 326.0754 315.5215 278.4183 325.5447 0.53_570.8461m/z 570.8461 0.53 667.1018 634.1461 699.3528 656.5841 621.5254 673.1009 0.53_606.8558m/z 606.8558 0.53 508.6757 536.4883 565.1503 501.3711 482.2576 559.4286 0.53_622.8483m/z 622.8483 0.53 1001.3652 999.8403 1103.1896 1048.9353 999.8406 1079.4848 0.53_638.8306m/z 638.8306 0.53 1086.4759 1095.9411 1126.2754 1065.8729 1012.7268 1145.3695 0.53_684.8216m/z 684.8216 0.53 1379.2566 1306.2401 1499.2032 1420.5243 1289.4036 1438.5875 0.53_700.8060m/z 700.8060 0.53 860.3270 834.3292 933.1863 883.3132 804.6789 906.6724 0.53_706.8216m/z 706.8216 0.53 691.9895 896.2450 936.1683 891.6585 658.0375 921.7400 0.53_752.8100m/z 752.8100 0.53 2028.0067 2181.0690 2366.2165 2177.3115 1938.6664 2342.8081 0.53_774.8129m/z 774.8129 0.53 1296.4799 1479.7455 1576.8224 1488.6592 1289.3640 1562.1631 0.53_820.8038m/z 820.8038 0.53 2230.7842 2380.3746 2604.3954 2524.3076 2152.1376 2645.7669 0.53_836.7864m/z 836.7864 0.53 2654.2724 2702.7201 2887.1182 2761.3897 2451.4150 2894.3291 0.53_842.7911m/z 842.7911 0.53 3005.8107 3045.1458 3204.4514 3124.7579 2873.6732 3193.8410 0.53_904.7759m/z 904.7759 0.53 878.2863 869.7738 980.4674 870.8852 851.1470 951.9534 0.53_964.2773m/z 964.2773 0.53 56.2493 65.2827 73.8307 64.6307 41.5146 38.7049 0.54_226.9663m/z 226.9663 0.54 2402.2890 2391.8454 2511.9894 2410.9454 2389.5617 2437.6831 0.54_242.9436m/z 242.9436 0.54 2328.9274 2151.8683 2422.1571 2202.9347 2298.7852 2272.9668 0.54_294.9540m/z 294.9540 0.54 2012.7532 1975.4857 2024.8980 1980.4323 1948.6043 1975.1354 0.54_310.9314m/z 310.9314 0.54 1997.8399 1870.4559 2084.3282 1880.9347 1851.2428 1976.4686 0.54_576.8632m/z 576.8632 0.54 1019.5857 1150.6665 1291.4009 1141.0526 946.4611 1225.0183 0.54_712.8323m/z 712.8323 0.54 1588.9926 1821.9320 2000.0348 1873.1573 1462.6511 1924.8425 0.54_747.8279n 746.8009 0.54 2987.3246 2917.3609 3162.0393 3087.3040 2898.2402 3214.2251 0.54_780.8165m/z 780.8165 0.54 2172.0824 2505.1818 2703.9577 2528.9546 2009.6275 2667.9103 0.54_807.3163m/z 807.3163 0.54 66.1538 76.3322 65.2619 76.5405 99.5119 103.7919 0.54_815.3123m/z 815.3123 0.54 123.6186 133.5245 133.6140 137.0070 65.9422 121.6276 0.54_817.8023m/z 817.8023 0.54 1090.7166 1217.3247 1343.6839 1285.1387 1034.5501 1322.9087 0.54_832.8130m/z 832.8130 0.54 2003.1414 2064.4029 2201.7246 2064.6129 1951.2085 2191.9467 0.54_867.8225n 848.8046 0.54 4691.3679 4572.3026 5089.4939 4712.5150 4422.4300 5027.8588 0.54_894.7850m/z 894.7850 0.54 1124.5981 1153.6543 1205.9037 1136.2480 1069.3882 1174.0406 0.54_916.7825m/z 916.7825 0.54 3298.5353 3190.8210 3629.1663 3253.1488 3078.5111 3479.1466 0.54_977.2903m/z 977.2903 0.54 255.4430 206.6483 259.8908 238.1854 230.3584 231.3953 0.54_978.7631m/z 978.7631 0.54 1230.3623 1206.0359 1323.3394 1211.2538 1180.2319 1250.9892 0.54_984.7687m/z 984.7687 0.54 1706.5547 1694.8137 1841.8595 1710.1941 1587.1944 1733.3703 0.55_362.9416m/z 362.9416 0.55 2451.7135 2415.6059 2519.3981 2506.2425 2443.4590 2533.0282 0.55_378.9188m/z 378.9188 0.55 3060.2700 2863.3347 3227.9002 2883.3201 2950.2315 3035.7404 0.55_446.9062m/z 446.9062 0.55 1736.2756 1582.0362 1788.7256 1664.7672 1716.5612 1728.7179 0.55_498.9157m/z 498.9157 0.55 570.9329 652.8822 616.1529 627.9405 572.9785 615.0772 0.55_514.8938m/z 514.8938 0.55 2102.2338 1966.0001 2169.7178 1993.5705 2076.9319 2088.8429 0.55_582.8812m/z 582.8812 0.55 2029.7498 1926.9554 2125.0616 2027.8767 1930.6192 2044.1635 0.55_598.8564m/z 598.8564 0.55 759.1595 744.9705 767.7736 745.0580 723.6847 753.3345 0.55_634.8658m/z 634.8658 0.55 1651.5895 1718.5938 1785.6812 1747.2431 1618.5411 1802.5707 0.55_718.8535m/z 718.8535 0.55 2470.8017 2430.1024 2618.1374 2452.1934 2343.2797 2572.7644 0.55_734.8246m/z 734.8246 0.55 2411.9934 2454.5597 2662.7329 2536.3236 2316.1609 2701.1234 0.55_770.8367m/z 770.8367 0.55 1143.8540 1372.2831 1422.7548 1419.1907 1071.1323 1451.0976 0.55_776.3364m/z 776.3364 0.55 34.0880 55.0315 55.6870 62.1695 57.0206 80.8515 0.55_786.8336m/z 786.8336 0.55 2425.9995 2292.9877 2541.8262 2363.2680 2316.3379 2456.9770 0.55_789.8290m/z 789.8290 0.55 709.0780 895.6231 907.2075 895.3409 689.0799 922.8051 0.55_802.8030m/z 802.8030 0.55 2567.4205 2781.9935 3008.9334 2784.3330 2497.1359 2953.5009 0.55_813.3321m/z 813.3321 0.55 80.4377 73.4164 62.7770 81.6565 48.3419 77.8387 0.55_821.3264m/z 821.3264 0.55 199.1337 163.6163 223.7418 216.1854 133.3922 201.0923 0.55_829.3117m/z 829.3117 0.55 226.5806 228.7924 287.3803 272.7587 200.2745 256.7603 0.55_854.8205m/z 854.8205 0.55 2068.9942 2032.9704 2249.4331 2116.8433 1996.0221 2166.8589 0.55_862.7984m/z 862.7984 0.55 1175.9805 1433.0357 1535.8942 1468.4396 1139.6911 1563.5383 0.55_870.7940m/z 870.7940 0.55 2607.4617 2458.8131 2685.0653 2562.5694 2528.5411 2623.4828 0.55_882.3276n 863.3098 0.55 380.6982 368.8617 379.7687 396.3703 390.0686 355.7927 0.55_885.7968m/z 885.7968 0.55 1124.5457 1272.1918 1433.7791 1314.7180 1071.9532 1385.3971 0.55_886.3013m/z 886.3013 0.55 300.1051 311.5273 316.9245 268.3082 322.2148 307.9434 0.55_888.7997m/z 888.7997 0.55 1160.6001 1370.5124 1527.1619 1391.0765 1046.5566 1424.7696 0.55_889.3111m/z 889.3111 0.55 289.0956 300.0000 323.0267 312.9539 302.4772 326.2539 0.55_896.7860m/z 896.7860 0.55 1176.1244 1412.7553 1583.7970 1471.4212 1100.9205 1512.8932 0.55_897.3055m/z 897.3055 0.55 260.9218 272.9466 313.4096 277.3695 289.4076 279.1568 0.55_912.7702m/z 912.7702 0.55 944.0660 955.5714 1027.8139 933.0452 863.8667 976.0573 0.55_920.2991m/z 920.2991 0.55 335.0278 300.3486 322.6570 302.8323 283.5647 296.8755 0.55_922.7796m/z 922.7796 0.55 4979.0710 5159.5127 5595.9022 5108.9486 4799.5020 5326.0061 0.55_949.2846m/z 949.2846 0.55 158.7952 170.6593 213.7046 197.9697 158.7690 200.5962 0.55_957.2806m/z 957.2806 0.55 528.9739 514.6106 611.3852 561.6763 454.6662 505.8833 0.55_957.8038n 956.7712 0.55 6748.9706 6504.7000 7330.0943 6662.3557 6501.1275 6809.7925 0.55_960.2814m/z 960.2814 0.55 539.5421 514.3346 545.4181 515.5193 517.8442 574.4513 0.55_964.7673m/z 964.7673 0.55 1603.0898 1844.2212 2132.5356 1968.2119 1526.1976 2010.4187 0.55_965.2687m/z 965.2687 0.55 565.6094 604.5922 692.6802 615.7329 472.6487 631.8946 0.55_972.7586m/z 972.7586 0.55 3448.0326 3342.8536 3620.4838 3313.9468 3313.7557 3511.6173 0.55_987.7591m/z 987.7591 0.55 1899.9928 1821.7460 2075.9328 1877.0754 1821.5997 1985.3053 0.55_990.7723m/z 990.7723 0.55 3470.2393 3558.1843 4034.1856 3650.6286 3244.4214 3756.6199 0.55_998.7641m/z 998.7641 0.55 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0.66 384.0921 423.1092 359.7038 400.7145 400.1471 393.3639 0.66_452.9629m/z 452.9629 0.66 284.5663 307.1919 290.2780 281.8622 286.6889 282.6900 0.66_525.0568m/z 525.0568 0.66 225.1768 203.4364 167.7271 202.7204 238.7826 187.8721 0.66_547.0394m/z 547.0394 0.66 466.3673 461.3210 424.2531 455.8162 452.7081 462.1435 0.66_555.0286m/z 555.0286 0.66 141.2663 142.4607 108.4845 138.3753 135.6242 142.1932 0.66_576.0190m/z 576.0190 0.66 244.4575 277.6457 204.5632 237.1385 272.8751 228.6651 0.66_584.0086m/z 584.0086 0.66 302.6578 354.5296 285.8725 321.4857 330.3247 285.0935 0.66_615.0776m/z 615.0776 0.66 316.3091 241.3600 179.3832 245.9986 239.0954 204.8666 0.66_615.5808m/z 615.5808 0.66 24.9199 35.3817 34.7934 22.5815 31.6412 14.5040 0.66_634.0069m/z 634.0069 0.66 236.6960 309.6008 216.6037 225.3843 196.5374 231.2791 0.66_655.0027m/z 655.0027 0.66 313.7483 339.3003 286.6298 328.2515 346.6600 305.5372 0.66_731.0390m/z 731.0390 0.66 5192.5698 5341.6380 4706.5704 5093.3159 5014.6886 5060.0592 0.66_737.0492m/z 737.0492 0.66 6367.3721 6616.3839 5646.7340 6261.1224 6262.0436 6069.6221 0.66_742.0383m/z 742.0383 0.66 422.6921 474.9344 352.7122 435.8040 388.1904 381.4763 0.66_742.5727n 723.5548 0.66 194.6982 197.8947 124.8324 196.2541 194.9504 164.9743 0.66_744.0438m/z 744.0438 0.66 106.6097 100.9823 74.3285 121.5276 116.0320 117.8370 0.66_745.0365m/z 745.0365 0.66 360.0899 402.4059 288.3594 396.0334 391.0389 316.9057 0.66_747.0225m/z 747.0225 0.66 1192.6204 1336.1499 1304.8074 1306.2762 1174.0237 1359.6606 0.66_750.0257m/z 750.0257 0.66 622.0028 670.5888 476.5844 623.8595 632.8704 590.9155 0.66_753.0238m/z 753.0238 0.66 4470.7602 4626.4539 3957.8776 4472.8580 4302.3466 4285.2508 0.66_753.5609n 734.5430 0.66 212.5940 199.0318 140.5254 195.2070 202.2034 198.9207 0.66_761.0316m/z 761.0316 0.66 264.5299 318.0575 207.6267 266.9117 238.2615 223.4761 0.66_763.0389m/z 763.0389 0.66 770.9248 778.6018 642.1112 749.8667 697.4271 710.5758 0.66_766.0249m/z 766.0249 0.66 353.7316 413.8672 301.1754 381.7814 335.0347 349.0874 0.66_769.0521m/z 769.0521 0.66 3175.3670 3267.8729 3042.1231 3169.1628 3171.0840 3242.6004 0.66_774.0170m/z 774.0170 0.66 528.1825 630.8957 433.5239 536.8033 510.3400 468.2755 0.66_781.9919m/z 781.9919 0.66 207.9721 204.8788 164.5918 198.1425 196.6307 148.0086 0.66_783.0194m/z 783.0194 0.66 333.3779 328.8363 226.0656 295.5065 291.9509 299.6712 0.66_795.0079m/z 795.0079 0.66 2761.6640 2880.9513 2296.5203 2626.1633 2667.1293 2582.2758 0.66_802.0900m/z 802.0900 0.66 280.0403 272.1086 208.5015 269.0821 258.4037 223.7799 0.66_810.9825m/z 810.9825 0.66 1175.8122 1318.5768 1026.0436 1242.0631 1167.3925 1167.9298 0.66_822.0263n 803.0085 0.66 1017.1089 1154.1366 915.4085 1069.3221 1041.5541 898.0558 0.66_826.9464m/z 826.9464 0.66 379.0843 395.6388 353.1115 393.9249 349.1371 395.2276 0.66_832.0013m/z 832.0013 0.66 186.1792 217.7063 105.8171 168.9022 178.1054 131.1874 0.66_832.0319n 813.0140 0.66 1558.2605 1724.9336 1353.0787 1579.8121 1656.2211 1527.3573 0.66_832.9813m/z 832.9813 0.66 248.1731 319.5286 210.3036 283.9689 267.7200 265.4315 0.66_835.0230m/z 835.0230 0.66 490.0133 479.9455 374.7238 433.2490 520.0732 390.5638 0.66_848.9420m/z 848.9420 0.66 226.1184 205.1787 158.1608 167.7848 166.0929 178.0212 0.66_854.9697m/z 854.9697 0.66 649.0079 600.3680 520.2676 617.4433 667.6097 588.1909 0.66_862.9639m/z 862.9639 0.66 254.5777 326.5174 151.9355 320.4701 233.4121 217.3154 0.66_871.9858n 852.9679 0.66 1559.4362 1771.9485 1396.1287 1603.2822 1598.3221 1567.1858 0.66_887.9593n 868.9415 0.66 929.7392 1037.8880 832.7882 1036.3418 1002.7189 932.5398 0.66_891.0785m/z 891.0785 0.66 651.0843 776.3997 599.2858 730.0448 665.1381 645.4754 0.66_902.0707m/z 902.0707 0.66 567.9524 619.8466 438.4925 584.1106 612.0759 539.5765 0.66_905.0771m/z 905.0771 0.66 648.3197 753.5088 508.4255 669.9727 549.9629 630.6802 0.66_905.5785m/z 905.5785 0.66 111.9256 144.4924 92.6447 139.3548 102.3919 100.1959 0.66_910.0578m/z 910.0578 0.66 715.9776 803.7146 593.9136 718.6153 790.2493 653.4651 0.66_913.0577m/z 913.0577 0.66 582.9345 609.3200 479.0534 617.9405 640.7048 497.2837 0.66_913.5651m/z 913.5651 0.66 209.6863 228.4583 199.5565 190.7539 191.8258 151.9574 0.66_916.0540m/z 916.0540 0.66 382.3646 529.3541 290.5137 396.8279 412.8842 388.3359 0.66_916.5715m/z 916.5715 0.66 59.5686 101.6325 56.1702 77.1994 81.1695 51.7885 0.66_922.5892n 921.5532 0.66 131.2497 239.1934 114.1762 189.0858 183.3935 160.6395 0.66_924.0508m/z 924.0508 0.66 401.5819 479.9999 305.0891 423.8628 408.4985 386.2900 0.66_924.5555m/z 924.5555 0.66 83.3455 141.7418 99.2871 130.2284 141.1233 105.4517 0.66_932.0459m/z 932.0459 0.66 487.2970 539.9764 371.0061 478.0371 518.3611 453.0117 0.66_932.5534m/z 932.5534 0.66 103.7972 143.0225 57.7914 111.5573 137.9953 101.7081 0.66_951.5445m/z 951.5445 0.66 50.0286 61.2516 24.2108 46.5626 85.1514 61.0484 0.66_953.0361m/z 953.0361 0.66 244.2622 283.5174 189.4940 247.8190 241.8881 195.2305 0.66_962.0479m/z 962.0479 0.66 115.4722 167.6920 92.9975 149.2007 118.1239 160.9367 0.66_970.0439m/z 970.0439 0.66 330.2668 331.4289 205.0513 265.8392 333.0112 269.2232 0.66_991.0072m/z 991.0072 0.66 55.7525 77.9364 47.9014 76.6711 105.1693 92.7777 0.66_992.0362m/z 992.0362 0.66 254.8371 297.5217 145.4220 216.0546 226.3674 206.5928 0.67_135.0301m/z 135.0301 0.67 417.1873 381.1845 404.5174 383.9271 410.1995 400.6078 C5H4N4O Hypoxanthine Hypoxanthine 17368 HIGH 0.67_329.0353m/z 329.0353 0.67 10145.0923 9929.9434 10395.3985 10008.4032 10447.6521 10483.1958 0.67_335.0479m/z 335.0479 0.67 35595.8665 35483.4916 36203.9684 35998.3418 36557.2918 38312.9360 0.67_367.1054m/z 367.1054 0.67 345.3388 273.3059 358.5863 305.9326 282.5617 345.2726 0.67_591.1051m/z 591.1051 0.67 105.9460 106.6095 132.5824 106.7059 104.3186 108.8272 0.67_671.1019m/z 671.1019 0.67 21926.1191 20690.8433 22063.1928 21184.8383 21351.2970 22170.3211 0.67_679.0852m/z 679.0852 0.67 137.7313 105.0485 107.4762 103.6421 114.6801 101.6033 0.67_687.0730m/z 687.0730 0.67 10711.6491 10130.9311 10489.1637 10085.9160 10338.9913 10415.7396 0.67_693.0843m/z 693.0843 0.67 13006.8145 12831.3333 12492.4667 12752.6430 12696.9980 12999.2778 0.67_698.0522m/z 698.0522 0.67 116.4002 96.6985 96.6071 89.6910 83.5623 95.1752 0.67_701.0688m/z 701.0688 0.67 690.4464 743.5200 575.5234 662.1262 650.8616 663.7862 0.67_701.5729m/z 701.5729 0.67 91.6360 128.2761 102.9727 110.4487 124.7800 123.7934 0.67_704.5776m/z 704.5776 0.67 189.9837 198.7918 118.3408 195.2998 210.0459 177.1759 0.67_709.0559m/z 709.0559 0.67 7559.6489 7434.3698 7078.4698 7243.4613 7408.6378 7360.6520 0.67_712.5634m/z 712.5634 0.67 179.0566 199.2242 146.9541 192.1039 160.4657 164.9481 0.67_715.0661m/z 715.0661 0.67 7077.2003 7276.8278 6484.2815 7144.4674 6986.3524 6986.8536 0.67_720.0446m/z 720.0446 0.67 276.8299 271.0897 228.6324 284.8437 300.9804 248.7906 0.67_723.0517m/z 723.0517 0.67 669.9013 734.3253 529.1957 709.1712 648.0828 666.1593 0.67_725.0352m/z 725.0352 0.67 1570.2752 1634.9852 1472.0682 1594.5905 1522.9587 1557.4114 0.67_742.5387m/z 742.5387 0.67 77.9526 87.9782 59.4291 91.2646 95.6435 76.3906 0.67_785.0381m/z 785.0381 0.67 770.8311 857.6554 665.6535 782.8994 783.7815 712.5370 0.67_788.9890m/z 788.9890 0.67 468.6581 502.0346 347.1541 466.1864 480.3484 461.5517 0.67_791.0546m/z 791.0546 0.67 1420.2317 1454.2771 1142.8349 1324.8917 1418.9045 1335.8134 0.67_802.5847m/z 802.5847 0.67 55.6397 64.7384 54.0835 62.6388 82.6796 35.8083 0.67_828.9913m/z 828.9913 0.67 581.7977 630.9687 502.3243 622.4873 601.7413 567.4613 0.67_839.1255m/z 839.1255 0.67 239.4438 175.9163 151.6411 209.8628 225.1230 174.6237 0.67_845.0213m/z 845.0213 0.67 342.1218 333.5046 212.5293 282.3082 296.4366 218.8949 0.67_847.6137m/z 847.6137 0.67 45.9206 57.5811 57.8862 60.2965 61.5244 39.3544 0.67_850.6137m/z 850.6137 0.67 103.8996 113.1665 75.9042 102.6189 86.1023 101.9860 0.67_858.0993m/z 858.0993 0.67 326.2437 348.0583 299.5969 393.6028 323.9190 333.1183 0.67_861.1192m/z 861.1192 0.67 312.3429 361.7866 322.2145 359.1919 371.0131 338.7587 0.67_861.6097m/z 861.6097 0.67 89.9367 101.1150 74.7072 131.1016 119.7577 122.3460 0.67_866.0911m/z 866.0911 0.67 526.8485 493.2481 427.9712 494.7667 531.5736 478.1829 0.67_869.5992m/z 869.5992 0.67 152.2158 132.9458 137.3239 155.5010 193.4294 161.8238 0.67_870.1471n 851.1293 0.67 1140.9466 1088.0384 1028.2672 1150.7619 1128.1503 1183.3999 0.67_872.0955m/z 872.0955 0.67 939.9695 911.5739 714.7622 859.2805 948.2188 813.2057 0.67_872.6044m/z 872.6044 0.67 210.4126 212.0872 154.3779 239.0808 208.1439 205.4769 0.67_877.0870m/z 877.0870 0.67 263.8087 242.7877 168.3097 235.5158 252.3388 213.7445 0.67_880.0896m/z 880.0896 0.67 610.3807 647.4592 517.3929 650.3148 630.3353 597.6999 0.67_883.0929m/z 883.0929 0.67 557.6403 583.5853 506.6759 600.3235 532.6029 542.2225 0.67_883.5944m/z 883.5944 0.67 171.7730 167.4966 121.9414 166.1806 156.2745 103.9081 0.67_888.0733m/z 888.0733 0.67 583.3070 705.3782 489.4466 639.8293 688.5390 605.7566 0.67_888.5790m/z 888.5790 0.67 144.5636 138.6426 125.8449 128.4077 132.0764 118.0139 0.67_891.5818m/z 891.5818 0.67 226.8163 297.4012 190.7856 271.3814 244.9337 229.7484 0.67_894.0847m/z 894.0847 0.67 663.3000 696.6152 601.1386 667.6941 722.5820 602.8903 0.67_899.0665m/z 899.0665 0.67 363.3758 379.7788 315.2155 347.5417 395.4889 399.2086 0.67_900.6194n 899.5697 0.67 241.4849 213.9292 157.7547 203.7044 237.5899 204.0312 0.67_910.5609m/z 910.5609 0.67 154.1417 188.3184 109.5410 160.2431 166.0573 132.5920 0.67_929.0512m/z 929.0512 0.67 368.9247 313.4400 141.8833 265.4993 433.0497 240.9988 0.67_940.0541m/z 940.0541 0.67 172.0566 180.5787 126.2741 194.7909 176.0178 123.0021 0.67_956.0500m/z 956.0500 0.67 83.8122 92.0654 88.6551 87.0444 106.3875 96.0325 0.67_956.5780m/z 956.5780 0.67 59.4687 36.6862 30.8959 35.9323 71.5409 26.9951 0.67_973.5834n 954.5656 0.67 43.7690 65.7928 76.8803 50.7626 59.4160 60.1723 0.68_179.0564m/z 179.0564 0.68 924.1386 868.6260 876.0406 892.3744 900.3603 920.8648 C6H12O6 D-(-)-Fructose Fructose MEDIUM 0.68_225.0859m/z 225.0859 0.68 3773.4190 3688.5312 3974.3974 3738.4756 3829.3093 4018.4444 C10H14N2O4 Porphobilinogen Porphobilinogen 17381 HIGH 0.68_255.0582m/z 255.0582 0.68 203.4818 227.6372 221.5379 220.5361 193.5845 229.1711 0.68_269.0758m/z 269.0758 0.68 2857.3538 2785.4281 3053.6806 2876.6372 2941.7498 3054.3000 0.68_649.1205m/z 649.1205 0.68 32723.1887 31600.1967 35728.9117 33536.3693 34022.0308 35994.3504 0.68_665.0903m/z 665.0903 0.68 14102.6619 13044.9481 14050.8509 13200.5928 13645.7757 13749.6135 0.68_780.1346m/z 780.1346 0.68 220.7342 196.3958 220.4413 207.6007 220.5228 202.6412 0.68_948.0741m/z 948.0741 0.68 232.7337 268.1408 169.8309 196.4330 206.6118 232.6860 0.68_963.1939m/z 963.1939 0.68 9603.2075 8799.7628 10662.8767 9559.1133 9745.3393 10261.3452 0.68_979.1650m/z 979.1650 0.68 4592.4797 4358.2288 4973.7515 4584.7672 4724.6914 4892.7106 0.68_985.1756m/z 985.1756 0.68 7132.7738 6465.5883 7302.8533 7078.0141 7052.2569 7537.0056 0.69_455.0039m/z 455.0039 0.69 991.1181 1002.9133 919.7015 992.8594 984.9051 996.2526 0.69_613.0834m/z 613.0834 0.69 125.9343 118.8652 66.9702 119.5216 129.1980 96.3278 0.69_807.0276m/z 807.0276 0.69 666.8399 767.1169 555.0256 648.0803 692.1041 563.8715 0.70_271.0544m/z 271.0544 0.70 30.4989 52.8430 38.8018 47.7632 52.9729 43.7669 0.70_314.0729n 313.0659 0.70 106481.8483 103358.9246 106928.6743 102391.7784 108073.6741 106820.7998 0.70_470.9754m/z 470.9754 0.70 178.2061 157.2852 122.7449 146.1445 166.6677 152.5365 0.70_680.0482m/z 680.0482 0.70 8086.5116 7096.2428 7016.6817 6793.8077 7042.3324 6829.2536 0.70_703.0468m/z 703.0468 0.70 2585.7482 2553.6259 2558.8268 2468.1083 2456.9083 2581.9313 0.70_747.0876m/z 747.0876 0.70 2797.0561 2512.4635 2379.0093 2406.7700 2575.9011 2486.1312 0.71_569.1250m/z 569.1250 0.71 216.3461 201.8675 202.4138 195.9249 238.2961 201.3703 0.71_589.0707m/z 589.0707 0.71 116.3059 111.5542 124.5401 98.2681 102.0032 103.3422 0.72_191.0560m/z 191.0560 0.72 587.0749 618.9550 551.2125 593.7375 586.8018 649.0963 0.72_215.0672m/z 215.0672 0.72 3054.2912 2782.2524 2879.6094 2817.7836 3025.4558 2867.7738 0.72_263.0042m/z 263.0042 0.72 129.3603 121.9487 97.1072 104.7803 115.9604 135.0338 0.72_354.0017m/z 354.0017 0.72 460.3432 447.0870 474.8132 444.3245 447.4486 480.5486 0.72_354.9945m/z 354.9945 0.72 2509.5529 2351.7797 2444.2131 2334.6260 2427.8735 2574.4229 0.72_627.1386m/z 627.1386 0.72 46412.9526 43925.2889 50787.6450 46158.6003 47490.0966 48939.4042 0.72_643.1076m/z 643.1076 0.72 12832.5703 12302.5309 13650.4102 12558.4499 13182.7517 13196.6066 0.72_713.0282m/z 713.0282 0.72 778.4759 631.6083 551.5881 564.9449 542.7499 586.4079 0.72_957.1818m/z 957.1818 0.72 5609.6186 5321.3313 6174.7340 5579.1806 5860.6829 5996.1607 0.73_433.0184m/z 433.0184 0.73 3592.3639 3433.0571 3511.3568 3384.2114 3451.6784 3495.6943 0.73_670.0572m/z 670.0572 0.73 674.4889 355.5832 304.7096 243.0657 263.0740 278.6095 0.73_725.1039m/z 725.1039 0.73 4186.8845 3817.6853 3703.4902 3651.6257 3864.9108 3610.8806 0.73_941.2127m/z 941.2127 0.73 13639.3511 12750.4567 15732.7614 13777.7157 14129.2537 14521.2837 0.73_983.1366m/z 983.1366 0.73 556.8113 419.6989 386.1383 349.1514 387.5286 387.8448 0.74_377.0835m/z 377.0835 0.74 256.0089 198.5169 187.4905 211.3918 203.2447 247.6667 0.75_201.0883m/z 201.0883 0.75 1720.2823 1556.6847 1814.8903 1597.9961 1655.9922 1685.8059 C8H14N2O4 L-Coprine Coprine HIGH 0.75_204.1112n 203.1038 0.75 3159.7004 2930.2822 3358.6723 3007.4843 3149.7654 3169.6956 C8H16N2O4 N(6)-Carboxymethyllysine HIGH 0.75_605.1570m/z 605.1570 0.75 78285.7379 74688.3016 86323.9515 76278.0362 80390.4632 79781.3220 0.75_621.1254m/z 621.1254 0.75 8950.6710 8350.9996 9128.0226 8340.0914 9105.1034 8486.1623 0.75_88.0413m/z 88.0413 0.75 224.0899 207.7138 225.2299 198.8767 214.6781 209.5977 C3H7NO2 Sarcosine Sarcosine 15611 HIGH 0.75_897.2484m/z 897.2484 0.75 6076.9000 5947.0948 7085.3719 5969.0094 6576.1185 6366.8226 0.75_919.2312m/z 919.2312 0.75 20074.2586 19113.4909 23441.8800 20390.7522 21042.4158 21162.4606 0.76_157.0983m/z 157.0983 0.76 868.1995 752.0587 915.5125 811.1679 850.7135 838.3385 0.76_159.1140m/z 159.1140 0.76 3765.3531 3458.3366 3947.4663 3481.4662 3683.7016 3696.1034 0.76_187.0725m/z 187.0725 0.76 462.8675 440.0943 490.7226 439.5956 467.0306 441.9892 C7H12N2O4 N-Acetylglutamine N-Acetylglutamine HMDB06029 HIGH 0.76_226.9753m/z 226.9753 0.76 757.5644 639.0965 616.0297 625.9257 632.8610 607.9290 0.76_248.1010n 247.0939 0.76 12480.5807 11495.6530 13220.8110 11722.4762 12406.2485 12315.0704 0.76_256.0152m/z 256.0152 0.76 1465.9307 1265.5152 1230.0475 1190.6995 1288.4611 1243.5309 0.76_271.0510m/z 271.0510 0.76 172.3505 178.5209 195.0879 175.8319 190.1385 195.9483 0.76_291.2266m/z 291.2266 0.76 15507.6208 13763.2820 15465.9641 13357.1894 14229.0459 12637.4007 0.76_291.2697m/z 291.2697 0.76 1016.4711 953.9575 1364.3044 883.5206 619.0412 271.7210 0.76_291.3158m/z 291.3158 0.76 636.5812 807.9592 854.1771 959.6973 520.4351 728.6128 0.76_291.5509m/z 291.5509 0.76 400.8731 367.5192 529.0530 389.6564 413.8522 376.5854 0.76_292.0910n 291.0842 0.76 698142.9342 647872.4304 742659.0664 655544.9247 692475.2035 694339.5317 C10H16N2O8 Edetic Acid Edetic Acid HIGH 0.76_300.0057m/z 300.0057 0.76 9564.0541 8646.9329 8025.9963 8123.4250 8592.3014 8224.6939 0.76_316.0452m/z 316.0452 0.76 974.4418 966.5644 931.6084 942.5963 1019.4417 950.8719 0.76_342.0000m/z 342.0000 0.76 5943.1661 5123.9548 4938.3071 4932.3709 5046.7244 4997.6831 C16H12CoF2N2O2 Bis(3-fluorosalicylaldehyde)-ethylenediimine-cobalt MEDIUM 0.76_343.9956m/z 343.9956 0.76 210754.3271 189040.5687 172934.2983 175198.3414 187509.6656 174707.1291 0.76_389.0517m/z 389.0517 0.76 2716.7143 2505.0193 2526.2608 2300.3659 2502.9344 2365.3554 0.76_391.0103m/z 391.0103 0.76 656.8374 579.3156 594.9450 560.4708 619.9494 605.4141 0.76_583.1734m/z 583.1734 0.76 1210.2488 1143.8549 1376.1608 1123.9288 1218.6979 1199.3481 0.76_636.0853m/z 636.0853 0.76 3575.3563 3020.8443 2728.4843 2479.2488 2586.2386 2385.1852 0.76_656.0718m/z 656.0718 0.76 534.1586 451.1968 393.6696 373.0312 368.5509 366.0932 0.76_658.0676m/z 658.0676 0.76 15141.8668 13178.6838 12855.0469 12377.5043 12897.8694 12144.7330 0.76_935.1991m/z 935.1991 0.76 4726.8600 4349.6656 4931.9057 4518.2937 4940.4726 4540.7431 0.76_948.1655m/z 948.1655 0.76 114.2774 74.6440 76.4746 84.8065 68.2486 79.5805 0.76_950.1596m/z 950.1596 0.76 6154.4174 5092.2484 4995.8821 4628.9649 4991.6767 4333.7284 0.76_96.9609m/z 96.9609 0.76 796.0840 745.2473 749.1279 712.9409 743.0554 741.3802 H2O4S Sulfuric acid Trichilin A 26836 MEDIUM 0.76_972.1387m/z 972.1387 0.76 6137.3682 5232.9742 5173.5037 4976.9076 5183.4967 4725.9083 0.76_989.1138m/z 989.1138 0.76 581.2651 452.0306 427.6133 384.6935 403.3967 282.0466 0.76_994.1219m/z 994.1219 0.76 4297.2490 3677.6222 3598.4160 3543.2551 3681.1089 3470.8655 0.78_913.2152m/z 913.2152 0.78 1609.0435 1503.8523 1630.6185 1481.9660 1663.4368 1466.5238 0.80_112.0124m/z 112.0124 0.80 69.8000 92.2687 82.1323 81.4630 90.1451 99.2133 0.80_129.0197m/z 129.0197 0.80 173.3599 186.4456 190.3521 183.2195 180.0175 207.8440 C5H8O5 L-2-Hydroxyglutaric acid 2-hydroxyglutaric acid 32797 HIGH 0.80_174.0164n 173.0093 0.80 2706.3521 2691.7885 2725.3202 2660.6488 2645.7712 2756.1404 C6H6O6 Dehydroascorbic acid Dehydroascorbic acid HMDB01264 HIGH 0.80_193.0244m/z 193.0244 0.80 104.8466 86.0176 94.8405 93.6181 102.6355 98.3257 0.80_411.0349m/z 411.0349 0.80 5213.9327 4891.4522 4952.4519 4738.0586 4883.5860 4835.6585 0.80_505.0916m/z 505.0916 0.80 224.7578 273.4346 293.9716 256.7225 256.1688 313.7154 0.81_756.0413m/z 756.0413 0.81 1465.0346 1175.3635 1044.6577 1064.4007 1163.9331 983.3946 0.83_212.0247m/z 212.0247 0.83 313.8024 265.4796 276.8013 279.3179 260.4506 273.4092 0.83_241.0589m/z 241.0589 0.83 150.5445 128.2471 124.2190 116.7493 165.5001 130.9309 0.83_741.0706m/z 741.0706 0.83 744.0597 636.1742 652.9564 620.6596 624.3426 602.3328 0.85_340.0004m/z 340.0004 0.85 824.3543 766.1322 735.7523 748.5369 703.1683 726.4171 0.85_763.0590m/z 763.0590 0.85 551.0670 499.8424 517.4938 505.4637 512.8100 562.4427 0.87_702.0297m/z 702.0297 0.87 264.7817 243.1545 236.9362 235.7350 242.0936 245.0689 0.88_188.0006m/z 188.0006 0.88 31.5298 28.3668 33.2645 28.8988 25.7222 27.2863 0.88_674.0346m/z 674.0346 0.88 2837.9927 2388.5242 2221.6555 2168.8925 2322.9212 2163.1615 0.89_696.0185m/z 696.0185 0.89 2031.1831 1719.6248 1627.4895 1617.0812 1648.8539 1552.7644 0.89_778.0214m/z 778.0214 0.89 941.2632 803.5562 747.2204 768.0203 710.2126 716.9048 0.90_455.0008m/z 455.0008 0.90 910.4785 960.5778 969.7051 969.7232 815.5327 1052.6506 0.90_785.0409m/z 785.0409 0.90 276.6299 285.9233 300.4803 283.9784 275.2341 302.7063 0.91_351.0150m/z 351.0150 0.91 4148.0079 4063.5244 4416.2224 4306.2666 4407.1640 4433.8258 0.91_401.9528m/z 401.9528 0.91 98.3698 92.4445 82.3706 81.8506 79.7329 92.3745 0.91_427.0023m/z 427.0023 0.91 349.0158 308.0408 312.9903 299.1630 320.2804 300.7637 0.93_236.0007m/z 236.0007 0.93 92.2317 87.2959 105.4215 93.7012 89.2582 102.1917 0.93_463.9497m/z 463.9497 0.93 1021.4045 912.3434 877.3777 837.7664 796.5956 891.0342 0.93_503.0492m/z 503.0492 0.93 407.9115 441.0743 467.7745 493.2161 454.7387 522.2255 0.93_519.0174m/z 519.0174 0.93 177.1840 203.1441 244.1118 215.2661 181.1287 242.0941 0.94_145.0145m/z 145.0145 0.94 302.7271 286.3401 322.1327 316.1071 290.8956 330.8952 C5H6O5 Oxoglutaric acid Oxoglutaric acid HMDB00208 MEDIUM 0.94_166.9966m/z 166.9966 0.94 120.7010 142.0847 160.9489 139.6982 125.6785 167.6820 0.94_497.0343m/z 497.0343 0.94 238.9880 238.3839 253.0662 235.2768 201.0192 259.3605 0.94_511.9977m/z 511.9977 0.94 436.5294 396.6484 403.1067 403.0526 387.4604 410.2873 0.94_525.0300m/z 525.0300 0.94 126.4737 140.7569 152.1285 159.3528 118.5121 175.8612 0.94_527.9649m/z 527.9649 0.94 60.0198 42.5224 43.6204 60.7634 31.9053 50.1394 0.94_533.9793m/z 533.9793 0.94 82.1664 86.9406 106.0614 91.8860 73.6199 98.8181 0.94_534.9836m/z 534.9836 0.94 122.9689 116.7595 133.0810 112.4512 108.7528 145.3280 0.94_540.9979m/z 540.9979 0.94 245.5950 263.5849 293.4445 269.3691 246.4591 289.3634 0.94_547.0115m/z 547.0115 0.94 106.6324 118.8645 122.1843 125.9625 106.4028 127.7322 0.94_556.9758m/z 556.9758 0.94 65.0643 78.4695 49.7372 67.3885 57.7267 73.6226 0.95_228.9727m/z 228.9727 0.95 161.9816 150.2414 178.7573 162.7757 170.8895 201.0061 0.96_448.9872m/z 448.9872 0.96 521.2899 461.3223 496.0042 493.5624 460.3683 531.6703 0.99_473.9524m/z 473.9524 0.99 53.9226 41.5783 35.2654 34.6487 30.0373 43.4897 1.01_470.9693m/z 470.9693 1.01 640.2067 563.2940 601.8314 570.1567 557.7295 585.9828 1.02_231.9645m/z 231.9645 1.02 115.7957 104.2192 134.0395 124.4726 103.9462 140.7691 1.02_366.9884m/z 366.9884 1.02 2063.1401 1846.6853 1861.7037 1736.9457 1670.5464 1786.9526 1.03_186.0459m/z 186.0459 1.03 391.2313 322.3358 355.8250 335.3479 397.3050 330.3039 1.03_187.0422m/z 187.0422 1.03 2072.7818 2074.8884 2075.2873 2077.0052 2041.2633 2106.5513 1.03_201.0383m/z 201.0383 1.03 2333.2239 2352.5099 2654.0851 2485.2685 2372.4516 2724.3078 1.03_243.9680m/z 243.9680 1.03 46.2088 63.4517 63.0734 72.0685 56.3949 55.2738 1.03_318.9582m/z 318.9582 1.03 85.5132 124.1960 112.6856 161.8966 119.6731 170.6740 1.03_486.9744m/z 486.9744 1.03 127.7080 125.6639 135.5887 138.9725 113.5901 148.1940 1.03_583.9858m/z 583.9858 1.03 104.2595 77.0173 125.2676 104.8953 106.6855 127.1260 1.03_89.0253m/z 89.0253 1.03 612.5180 572.1376 679.7401 619.7280 593.9358 668.4509 1.04_285.9884m/z 285.9884 1.04 97.3214 77.3973 79.6803 54.7407 75.8577 65.3588 1.04_456.0079m/z 456.0079 1.04 353.8003 298.8098 312.0438 308.7723 336.6418 304.5326 1.04_702.0291m/z 702.0291 1.04 199.7563 184.8802 168.5477 173.2636 170.9440 161.0702 1.05_173.9873m/z 173.9873 1.05 424.6463 405.5167 422.4413 407.6811 392.8707 430.1807 1.05_476.9840m/z 476.9840 1.05 337.1624 298.1635 311.2531 310.4909 281.3514 299.9105 1.05_517.9795m/z 517.9795 1.05 75.6850 50.6844 65.4144 64.1402 65.0554 65.9441 1.07_153.0306m/z 153.0306 1.07 361.9783 357.1577 387.5003 378.4872 358.2810 392.1809 1.07_243.0624m/z 243.0624 1.07 1057.1879 1037.8317 1128.3940 1076.4308 999.2433 1152.9540 1.07_739.4220m/z 739.4220 1.07 73.6759 81.6614 85.9840 80.1430 85.6884 100.4316 1.08_419.0459m/z 419.0459 1.08 369.3834 380.8711 431.8549 399.8724 404.4414 447.7315 1.08_485.9399m/z 485.9399 1.08 75.7301 49.1271 60.3288 60.7883 67.7933 60.5551 1.08_562.0039m/z 562.0039 1.08 262.1132 212.1373 227.6187 248.5599 217.6330 239.4185 1.09_232.9764m/z 232.9764 1.09 578.7148 499.1697 587.9248 515.9000 448.4744 573.4682 1.09_263.0087m/z 263.0087 1.09 693.7896 629.5828 766.3085 699.8791 682.3127 750.0250 1.09_307.0350m/z 307.0350 1.09 2539.9169 2505.5621 2929.8080 2783.1692 2550.2216 2964.9030 1.09_568.0177m/z 568.0177 1.09 122.4702 96.3472 120.5532 118.9454 98.9824 120.5715 1.10_203.0146m/z 203.0146 1.10 371.1261 378.5998 433.3967 376.4866 368.0601 446.1639 C6H9AlO6 Aluminum triacetate MEDIUM 1.11_466.9874m/z 466.9874 1.11 197.7853 119.9244 101.3653 104.4065 98.9792 82.3357 1.11_638.1450m/z 638.1450 1.11 96.1681 115.8625 102.2174 96.1777 104.6354 91.0493 1.12_579.9841m/z 579.9841 1.12 184.6844 178.1815 184.1336 196.2566 151.4151 191.2320 1.13_389.0486m/z 389.0486 1.13 248.1015 212.3163 220.3527 199.3992 225.6892 186.4374 1.13_505.0929m/z 505.0929 1.13 1922.9387 1806.8239 1753.8328 1670.7651 1876.8889 1586.9295 1.13_527.0717m/z 527.0717 1.13 956.4360 932.0890 940.3767 872.6866 957.5551 905.1462 1.13_558.0044m/z 558.0044 1.13 4739.9892 4379.3119 4055.9522 4135.5919 4221.6880 4073.6440 1.13_641.0182m/z 641.0182 1.13 278.0776 273.4363 309.3356 261.2952 270.6617 317.5102 1.13_719.0991m/z 719.0991 1.13 377.4176 304.3128 354.7354 314.7541 390.5938 278.7172 1.13_735.0658m/z 735.0658 1.13 433.2124 410.9406 426.9912 411.7360 434.3989 382.4501 1.13_833.0456m/z 833.0456 1.13 318.1197 292.2413 329.3400 308.4891 285.5572 359.1138 1.13_872.0639m/z 872.0639 1.13 189.1706 142.9007 124.4388 128.4409 169.9533 136.3051 1.14_332.9558m/z 332.9558 1.14 182.4088 186.3500 186.0227 171.8682 151.0016 181.4516 1.14_405.0292m/z 405.0292 1.14 24837.9810 24097.9562 26538.3227 24816.9216 24651.0735 26330.2779 1.14_521.0584m/z 521.0584 1.14 859.1497 822.2916 787.9606 756.1480 863.7747 733.3076 1.14_713.0776m/z 713.0776 1.14 374.9886 313.1184 348.0167 315.9933 337.1242 292.6008 1.14_751.0340m/z 751.0340 1.14 127.7731 123.6504 104.5360 117.2260 97.1522 87.1255 1.14_819.1628m/z 819.1628 1.14 156.8520 115.8473 103.5570 89.2703 157.6542 82.9397 1.14_827.0318m/z 827.0318 1.14 603.5416 554.2458 732.8824 633.0788 589.6808 712.3147 1.14_835.1266m/z 835.1266 1.14 129.5147 137.3244 117.3852 104.4581 121.7481 103.9481 1.14_849.0124m/z 849.0124 1.14 290.6166 264.5881 334.7629 290.8708 247.6476 333.7918 1.15_130.0267n 111.0089 1.15 53070.6547 52334.7753 53705.9803 51798.0704 52747.0261 54323.3066 C5H6O4 Mesaconic acid HMDB00749 HIGH 1.15_130.9987m/z 130.9987 1.15 478.4625 468.2890 477.1363 455.2990 454.3105 504.2761 C4H6O6 Tartaric acid Tartaric acid 15671 HIGH 1.15_147.0299m/z 147.0299 1.15 398.2269 389.6432 410.1853 411.5887 399.1301 435.0380 C5H8O5 D-2-Hydroxyglutaric acid 32796 HIGH 1.15_174.0164n 173.0094 1.15 6688.1374 6518.7759 6709.8091 6481.6165 6625.0252 6678.1938 C6H6O6 Dehydroascorbic acid Dehydroascorbic acid HMDB01264 HIGH 1.15_191.0199m/z 191.0199 1.15 137634.5152 135432.7413 140086.5319 134119.2653 136503.9564 141012.9814 C6H8O7 Citric acid Citric acid HMDB00094 MEDIUM 1.15_191.1339m/z 191.1339 1.15 1099.4641 961.9388 1031.4673 997.2154 965.4113 896.8524 1.15_257.9835m/z 257.9835 1.15 89.9835 58.9487 82.5559 64.9377 73.1175 80.0508 1.15_301.9758m/z 301.9758 1.15 134.2134 133.1098 133.1281 135.3941 138.4291 123.7644 1.15_391.0325m/z 391.0325 1.15 385.1129 401.5171 402.8801 397.4834 426.2668 415.4794 1.15_433.9638m/z 433.9638 1.15 121.9159 109.2718 131.4810 132.7673 120.9487 134.3617 1.15_435.9587m/z 435.9587 1.15 3419.5692 3049.6295 3373.7552 3140.7908 2965.4660 3385.6340 1.15_457.9407m/z 457.9407 1.15 479.5992 416.9260 509.5212 440.7478 423.0281 513.0077 1.15_613.0216m/z 613.0216 1.15 3039.0701 3037.3380 3563.4401 3265.2965 3085.2151 3487.4765 1.15_741.0756m/z 741.0756 1.15 205.1258 206.6970 197.9244 188.9559 222.1651 167.4819 1.15_85.0304m/z 85.0304 1.15 2552.8515 2526.0341 2606.0003 2519.1859 2556.2167 2619.2377 C4H8O3 Alpha-Hydroxyisobutyric acid 2-hydroxyisobutyric acid HMDB00729 HIGH 1.15_857.9610m/z 857.9610 1.15 80.7260 55.0087 82.6409 92.1577 92.7942 90.0124 1.15_87.0097m/z 87.0097 1.15 4804.7270 4712.7241 4904.0257 4708.0819 4748.5745 4893.0083 C3H6O4 Glyceric acid Glyceric acid 32398 MEDIUM 1.16_649.9671m/z 649.9671 1.16 390.7653 356.7523 479.4618 399.9561 333.0388 422.5566 1.16_671.9474m/z 671.9474 1.16 298.0373 251.4093 300.1542 268.5258 238.2549 277.9304 1.16_765.9962m/z 765.9962 1.16 430.0629 344.0692 381.6445 361.8738 346.4790 369.0183 1.16_850.0560m/z 850.0560 1.16 288.8129 246.2323 230.2969 213.1421 249.9584 210.7225 1.16_980.0065m/z 980.0065 1.16 87.8805 87.1953 77.9266 72.0707 103.0028 77.7271 1.17_427.0105m/z 427.0105 1.17 2568.5404 2553.7561 2873.8917 2730.4192 2554.6104 3089.9649 1.17_518.9662m/z 518.9662 1.17 262.5584 219.1483 265.5746 238.7676 184.8911 263.6966 1.17_619.0376m/z 619.0376 1.17 1502.4692 1453.0480 1686.4938 1522.3958 1464.6290 1631.0275 1.17_635.0043m/z 635.0043 1.17 829.0331 776.1441 922.4391 817.9823 805.0099 837.3913 1.17_787.9801m/z 787.9801 1.17 198.8160 142.7290 177.8590 165.0022 181.5611 178.5524 1.17_864.9836m/z 864.9836 1.17 140.7160 108.3910 133.3328 97.6195 136.3227 101.8290 1.17_986.0244m/z 986.0244 1.17 76.1247 70.7754 62.9953 77.2498 72.6080 70.7334 1.18_544.0097n 543.0401 1.18 688.9576 665.1175 670.1264 646.7052 719.3015 640.9085 1.19_256.0149m/z 256.0149 1.19 105.7314 94.7388 81.6622 89.5446 100.0641 86.1888 1.19_442.9776m/z 442.9776 1.19 847.4713 855.0448 987.3838 913.3929 838.5161 1057.5114 1.19_448.9894m/z 448.9894 1.19 599.9907 556.1924 655.5038 612.1824 595.9607 684.6775 1.21_296.9765m/z 296.9765 1.21 101.2271 99.3488 95.7785 89.9955 105.5458 108.5648 1.21_338.9801m/z 338.9801 1.21 319.5611 332.1355 349.7426 320.0450 347.7837 329.1269 1.21_353.0036m/z 353.0036 1.21 301.2367 291.1076 300.3486 290.8047 303.8240 308.4277 1.21_358.0327m/z 358.0327 1.21 83.2121 77.9655 98.6244 75.3246 83.1287 91.8326 1.21_396.9973m/z 396.9973 1.21 418.3106 456.0342 475.1527 458.5205 390.1040 471.1554 1.21_422.0277n 420.9947 1.21 4552.1327 4266.3459 4802.4436 4425.2494 4336.5724 4777.6980 1.21_481.0942m/z 481.0942 1.21 1053.5937 1071.8097 974.3358 1006.6829 1076.1493 932.7390 1.21_534.0043m/z 534.0043 1.21 269.4824 222.1723 186.2057 215.9736 182.9801 232.0473 1.21_595.0401m/z 595.0401 1.21 144.7813 163.8387 177.0858 165.1351 129.8091 187.9034 1.21_649.1227m/z 649.1227 1.21 1107.9228 1056.2968 951.5967 986.6435 1098.4070 870.7294 1.22_124.0155m/z 124.0155 1.22 1345.8308 1330.9314 1395.1490 1320.1940 1306.7067 1433.5597 1.22_381.0308m/z 381.0308 1.22 6105.2664 6132.2303 6699.8230 6396.9151 6019.2633 6922.7467 1.22_411.9601m/z 411.9601 1.22 439.0051 419.9929 441.2757 419.1082 380.3438 442.8451 1.22_565.0223m/z 565.0223 1.22 298.4576 272.1148 287.9430 289.5768 284.8022 310.2691 1.23_167.0217m/z 167.0217 1.23 30493.8761 30715.9106 31947.5588 30789.9800 30394.6713 33064.0802 C5H4N4O3 Uric acid Uric acid HMDB00289 HIGH 1.23_335.0500m/z 335.0500 1.23 5730.3303 5650.9362 5683.0686 5618.0185 5642.3355 5759.4123 1.23_359.0488m/z 359.0488 1.23 475.4864 474.2038 498.3872 484.0415 480.0458 486.1320 1.23_589.0223m/z 589.0223 1.23 495.2779 490.9377 539.6572 537.2840 456.0352 534.6807 1.24_391.0330m/z 391.0330 1.24 271.6071 256.2951 255.9216 243.4064 247.8542 267.4647 1.24_549.0570m/z 549.0570 1.24 535.9302 514.2305 518.3765 564.7658 545.5507 560.3928 1.24_603.9874m/z 603.9874 1.24 453.3259 405.3486 427.6726 414.9406 347.5950 455.1208 1.24_717.0855m/z 717.0855 1.24 106.0617 117.4806 117.5286 115.9555 127.6455 116.3874 1.24_757.0504m/z 757.0504 1.24 205.8552 226.1265 261.3573 205.6085 239.8978 241.5256 1.24_772.0139m/z 772.0139 1.24 1091.0488 959.5989 971.3197 957.8616 962.8036 983.9200 1.26_625.9697m/z 625.9697 1.26 56.0421 66.0345 81.8876 52.1809 47.0076 66.9409 1.26_626.9776m/z 626.9776 1.26 90.2696 61.6299 77.1801 68.5090 71.9745 63.2582 1.26_803.0285m/z 803.0285 1.26 170.4015 178.3546 215.0806 166.0795 211.8007 195.9039 1.27_427.0104m/z 427.0104 1.27 2740.9124 2538.0660 2731.3579 2628.8782 2656.2458 2767.7747 1.27_437.9649m/z 437.9649 1.27 91.9948 65.5695 75.3493 58.2512 52.5636 76.0247 1.27_518.9681m/z 518.9681 1.27 215.8372 185.3630 205.8995 171.2041 196.9980 206.3902 1.27_613.0214m/z 613.0214 1.27 2113.4922 1905.3507 2140.5865 2008.3926 1980.2642 2137.4924 1.27_635.0034m/z 635.0034 1.27 624.3814 557.1895 607.9082 576.1843 578.1316 582.0619 1.27_672.9553m/z 672.9553 1.27 155.6672 119.8241 118.1116 139.4473 129.7884 133.4627 1.27_827.0313m/z 827.0313 1.27 214.3548 187.9028 218.0769 206.7463 187.3166 210.1000 1.29_234.9850m/z 234.9850 1.29 306.2076 305.6196 349.0453 313.7415 306.4697 322.8748 1.29_442.9767m/z 442.9767 1.29 1195.7044 1132.8436 1223.6340 1186.0174 1172.2596 1282.7342 1.29_527.0706m/z 527.0706 1.29 714.9791 683.3206 570.3033 663.7372 688.3160 643.8103 1.29_619.0373m/z 619.0373 1.29 899.3858 797.9140 830.8999 836.2319 829.9164 861.6628 1.29_641.0188m/z 641.0188 1.29 131.4421 148.6029 166.1195 167.6906 122.9048 176.7128 1.29_650.9714m/z 650.9714 1.29 127.6596 117.9822 119.0015 134.8412 107.5999 122.6838 1.29_765.9968m/z 765.9968 1.29 226.8859 210.0850 177.5227 197.6507 183.5200 158.0098 1.29_833.0521m/z 833.0521 1.29 162.8240 149.3210 145.3612 145.2795 135.0222 154.2184 1.29_849.0147m/z 849.0147 1.29 211.9178 210.8256 191.8837 180.2328 152.7525 160.2736 1.30_458.9461m/z 458.9461 1.30 344.3959 298.0618 331.4702 304.3170 279.7756 307.1551 1.30_505.0926m/z 505.0926 1.30 1640.7361 1531.3015 1334.9522 1360.3940 1589.4734 1284.2359 1.30_787.9825m/z 787.9825 1.30 160.5271 117.4506 128.8688 131.7801 121.3447 117.0521 1.31_448.9911m/z 448.9911 1.31 607.1091 622.8261 659.7644 637.0535 601.5115 719.1286 1.31_521.0583m/z 521.0583 1.31 720.1150 674.7209 580.3680 615.3925 676.8901 549.0388 1.31_735.0602m/z 735.0602 1.31 110.1985 112.0309 105.4421 98.7319 104.4747 107.1609 1.32_403.0087m/z 403.0087 1.32 189.0527 174.0183 213.0339 197.4297 178.4288 201.2104 1.32_464.9614m/z 464.9614 1.32 164.1778 157.6210 181.6415 175.2767 157.4483 188.8136 1.32_543.0400m/z 543.0400 1.32 371.5732 347.8118 326.2873 389.7100 368.3610 346.9310 1.32_605.1519m/z 605.1519 1.32 298.9476 282.4066 200.4480 203.1288 292.6022 154.7506 1.32_678.9659m/z 678.9659 1.32 151.3138 131.0706 141.8785 138.4306 138.2823 138.3568 1.33_826.4551m/z 826.4551 1.33 1241.1930 1272.2977 1398.3479 1259.9122 1274.2940 1453.5590 1.34_196.0224m/z 196.0224 1.34 44.5483 55.5530 67.4905 56.3263 52.9494 67.6170 1.34_279.0604m/z 279.0604 1.34 184.9108 184.3016 223.3619 195.9150 186.8123 244.2427 1.34_358.0102m/z 358.0102 1.34 204.2664 209.9714 229.0707 219.5263 199.8231 243.7663 1.34_364.0267m/z 364.0267 1.34 204.3092 217.7262 227.8012 236.0403 182.2344 255.7512 1.35_247.9896m/z 247.9896 1.35 61.8692 60.7242 69.2850 62.6694 57.9738 59.5432 1.35_256.0156m/z 256.0156 1.35 191.0373 174.5359 144.6038 156.8368 172.7069 154.3776 1.35_257.9922m/z 257.9922 1.35 217.5157 205.2880 246.5088 225.6469 185.6209 260.2062 1.35_549.0519m/z 549.0519 1.35 168.9653 171.0803 155.1904 169.3950 175.9433 161.5390 1.35_579.9851m/z 579.9851 1.35 571.9059 502.0710 492.6407 487.7408 523.2893 468.2885 1.36_573.9690m/z 573.9690 1.36 302.0752 260.3396 223.2053 247.5647 240.0660 210.8065 1.37_369.0054m/z 369.0054 1.37 6730.4409 6583.0523 6733.3664 6611.2719 6683.3743 7026.5285 1.41_339.9997m/z 339.9997 1.41 155.8632 153.8279 156.2817 156.5427 155.6302 166.2497 1.42_329.0314m/z 329.0314 1.42 1398.1522 1364.3422 1187.0924 1207.2827 1401.8308 1232.1788 1.42_658.0634m/z 658.0634 1.42 1239.5316 1196.9704 875.7188 955.4788 1196.9383 767.2249 1.43_185.9926m/z 185.9926 1.43 99.0514 82.7637 80.0816 73.0942 71.2482 62.8936 1.43_366.9974m/z 366.9974 1.43 2994.0661 2783.4172 2615.8354 2591.5061 2855.2426 2479.9479 1.43_379.9935m/z 379.9935 1.43 119.7762 88.8437 116.9556 102.1337 109.2286 114.5186 1.43_543.0374m/z 543.0374 1.43 130.1589 120.9540 100.9640 103.4707 139.0638 106.1318 1.44_183.9746m/z 183.9746 1.44 80.8133 81.9820 75.2645 71.1271 78.8738 90.3078 1.44_211.9888m/z 211.9888 1.44 628.3355 572.4165 649.0331 586.9919 593.7793 638.0677 1.44_227.9651m/z 227.9651 1.44 134.0987 127.1367 137.5748 121.5545 122.5770 147.4233 1.44_256.0156m/z 256.0156 1.44 124.7624 117.0700 109.0162 117.2808 116.3197 114.2586 1.44_257.9935m/z 257.9935 1.44 250.9807 235.0646 275.1287 257.6134 272.1444 294.2365 1.44_279.0600m/z 279.0600 1.44 244.1511 229.6954 258.1896 240.5792 242.4743 277.3715 1.44_364.0252m/z 364.0252 1.44 190.5216 156.6486 186.8140 160.9920 159.9054 178.4334 1.44_495.0176m/z 495.0176 1.44 157.9850 131.7573 121.6992 126.5071 130.2608 100.2107 1.44_502.0342m/z 502.0342 1.44 98.7526 77.8845 76.4019 90.6445 101.2095 72.5991 1.51_339.9992m/z 339.9992 1.51 154.2430 134.8187 142.1773 142.6802 157.4221 136.8631 1.53_473.9533m/z 473.9533 1.53 391.8011 343.6685 377.0975 342.0516 347.9902 356.2394 1.59_151.0263m/z 151.0263 1.59 323.5177 315.9162 362.2012 327.8886 328.6054 368.8546 C5H4N4O2 Oxypurinol Oxypurinol HMDB00786 HIGH 1.61_347.0023m/z 347.0023 1.61 305.5517 287.0898 216.9411 224.0186 275.8088 288.2014 1.62_357.0274m/z 357.0274 1.62 307.7913 306.0604 256.3562 260.6657 304.3509 272.4203 1.63_173.0081m/z 173.0081 1.63 121.7675 104.2874 98.6304 89.7847 112.3158 103.8667 C6H8O7 Citric acid Citric acid HMDB00094 MEDIUM 1.63_256.0144m/z 256.0144 1.63 103.6313 87.9371 85.7436 83.9167 98.5600 91.2140 1.63_336.0441m/z 336.0441 1.63 170.6239 158.6926 130.8460 150.4231 163.3453 127.5880 1.64_270.0360m/z 270.0360 1.64 130.7048 104.8741 162.9332 137.4093 153.9104 154.4006 1.64_432.0211m/z 432.0211 1.64 97.5561 107.5527 98.1076 89.6744 128.5454 67.8962 1.64_497.0629m/z 497.0629 1.64 127.3481 116.5551 104.4546 106.7693 119.2199 124.0856 1.65_119.0504m/z 119.0504 1.65 182.1466 169.7821 175.8942 168.2778 177.3174 183.4696 C8H10O2 2-Phenoxyethanol 64275 HIGH 1.65_163.0401m/z 163.0401 1.65 663.9453 628.1030 684.0715 637.3058 650.0608 707.7595 C9H10O4 3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid 3-(3-hydroxyphenyl)-3-hydroxypropanoic acid HIGH 1.65_180.0666m/z 180.0666 1.65 7357.8320 7390.5432 7547.9347 7168.7761 7239.5157 7932.2146 C9H11NO3 o-Tyrosine HMDB06050 HIGH 1.65_264.0192m/z 264.0192 1.65 277.9956 267.6359 291.7150 294.2421 272.8963 330.7211 1.65_273.0726m/z 273.0726 1.65 181.6420 178.7994 157.5981 141.5086 180.4069 142.6622 1.65_310.0248m/z 310.0248 1.65 974.8559 919.2433 1019.8469 905.0511 958.4313 1043.0722 1.65_383.1227m/z 383.1227 1.65 3108.3170 3245.1496 3508.8628 3249.6461 3255.9381 3719.1802 1.65_405.1037m/z 405.1037 1.65 565.0158 566.9406 630.9217 547.8022 563.9755 635.9234 1.65_424.9995m/z 424.9995 1.65 400.0036 367.5344 330.9823 300.8875 341.5254 330.1904 1.65_445.0928m/z 445.0928 1.65 777.9844 728.6938 803.7975 735.5051 757.4157 880.1573 1.65_451.0538m/z 451.0538 1.65 90.6936 101.3910 90.2642 99.8603 97.9161 104.9156 1.65_461.0635m/z 461.0635 1.65 213.3604 199.1325 213.6926 199.3233 196.4540 230.7682 1.65_483.0461m/z 483.0461 1.65 160.7503 142.7101 168.0350 148.4233 163.2458 168.6296 1.65_503.0742m/z 503.0742 1.65 202.7079 188.2384 171.4131 206.6061 177.1298 176.4147 1.65_513.0785m/z 513.0785 1.65 165.1638 145.9141 166.4915 133.3385 125.5038 167.2521 1.65_580.1614m/z 580.1614 1.65 750.2924 803.6870 805.6341 808.1762 779.8026 853.1907 1.65_586.1776m/z 586.1776 1.65 249.1544 252.1252 289.0348 277.4193 243.4122 289.2298 1.65_596.1334m/z 596.1334 1.65 238.8146 211.4101 227.8893 236.7966 202.5591 260.1279 1.65_618.1147m/z 618.1147 1.65 141.5499 116.0738 137.3639 128.6467 132.9650 160.7494 1.65_648.1477m/z 648.1477 1.65 229.7914 253.7384 270.1430 257.4777 258.0088 271.5780 1.65_783.2175m/z 783.2175 1.65 252.3217 245.7231 261.5180 261.1266 240.5687 290.7249 1.66_202.0486m/z 202.0486 1.66 256.3856 258.2951 285.4520 247.5362 250.8642 272.0449 1.66_248.0542m/z 248.0542 1.66 856.0171 841.2062 876.7197 831.8990 813.7268 920.9646 1.66_279.9919m/z 279.9919 1.66 70.4676 58.8731 57.4240 61.4133 47.2653 70.7968 1.66_410.0363m/z 410.0363 1.66 218.5396 192.1633 143.6231 190.9233 191.8768 167.4368 1.66_547.0490m/z 547.0490 1.66 392.9497 367.8516 326.2088 359.4738 370.9927 332.6568 1.66_554.0667m/z 554.0667 1.66 209.7236 227.5291 186.9435 196.0865 217.2611 185.5862 1.66_563.0149m/z 563.0149 1.66 357.0368 307.0924 266.3468 268.7792 280.3847 235.0650 1.66_569.0316m/z 569.0316 1.66 268.1742 231.4610 182.2071 199.2119 189.7180 168.5699 1.67_219.0808m/z 219.0808 1.67 419.7902 379.4222 429.2343 403.3489 386.5822 440.3025 C16H14O2 Benzyl cinnamate MEDIUM 1.67_416.0555m/z 416.0555 1.67 199.1387 205.6685 179.2539 180.1087 172.2659 202.4412 1.73_221.0668m/z 221.0668 1.73 164.4917 182.5030 176.0113 200.7126 182.1319 189.9787 1.80_130.0873m/z 130.0873 1.80 360.0346 359.3785 386.5125 379.3844 396.9323 393.8108 C6H13NO2 L-Isoleucine Isoleucine HMDB00172 HIGH 1.80_200.0563m/z 200.0563 1.80 339.3242 383.5995 378.4091 374.0696 372.8941 397.2996 C8H13NO6 O-Succinyl-L-homoserine O-succinylhomoserine HIGH 1.80_243.0622m/z 243.0622 1.80 3068.3171 3128.8067 3398.3028 3261.6439 3121.1186 3585.7792 1.80_260.0351m/z 260.0351 1.80 1675.4792 1722.6412 1728.2501 1672.8505 1679.0224 1826.9724 1.80_279.0390m/z 279.0390 1.80 871.0362 884.8567 779.0371 836.8266 858.2375 807.8338 1.80_311.0469m/z 311.0469 1.80 88.7267 79.7259 69.9492 83.7789 67.3659 74.4936 1.80_333.0349m/z 333.0349 1.80 200.0025 187.5361 201.5430 219.3708 173.5692 212.7943 1.80_345.1343m/z 345.1343 1.80 322.7799 351.6694 377.8137 345.1085 329.1943 394.1318 1.80_357.0280m/z 357.0280 1.80 270.5119 279.8781 236.9626 254.6811 290.7869 245.7269 1.80_361.1067m/z 361.1067 1.80 173.5151 148.7497 156.0697 170.1048 157.3002 175.0115 1.80_375.0191m/z 375.0191 1.80 76.1224 83.9804 81.8149 91.5758 84.9616 108.2765 1.81_152.0352m/z 152.0352 1.81 82.4096 73.6797 90.4317 84.0368 74.7339 93.0220 1.81_187.0025m/z 187.0025 1.81 74.8324 58.4177 54.0179 49.9622 47.2791 49.5391 1.81_198.0748m/z 198.0748 1.81 169.1930 160.4936 180.8787 179.7313 181.7331 179.2949 1.81_670.3511m/z 670.3511 1.81 258.4270 261.3311 263.7748 285.9477 286.0186 295.7644 1.82_318.0869m/z 318.0869 1.82 168.6802 197.9597 175.6867 223.9635 178.3136 231.2263 C9H23NO7P2 Ibandronate MEDIUM 1.82_340.0004m/z 340.0004 1.82 160.5698 186.6758 150.8482 173.0482 186.8032 132.6416 1.82_390.0024m/z 390.0024 1.82 169.6586 164.4125 168.5266 172.8631 183.9257 188.4558 1.83_193.0098m/z 193.0098 1.83 144.2407 146.5201 135.7683 129.1989 126.0783 161.3146 1.83_276.0176m/z 276.0176 1.83 103.2199 95.8816 109.3370 98.0389 98.1787 106.6088 1.83_288.0522m/z 288.0522 1.83 120.8327 108.3398 124.4739 128.5391 124.8454 140.1671 1.83_656.2887m/z 656.2887 1.83 417.5830 410.3682 400.7736 429.1406 444.8158 454.8849 1.86_285.9887m/z 285.9887 1.86 73.6347 80.6989 66.8100 70.3959 72.5678 69.2341 1.86_470.0194m/z 470.0194 1.86 40.7624 38.9627 51.8800 41.8701 47.9393 30.8996 1.86_470.9962m/z 470.9962 1.86 74.5603 56.2322 39.0912 58.7952 69.2143 40.6665 1.87_202.9642m/z 202.9642 1.87 79.1020 77.3069 84.9642 65.7022 77.0174 83.2997 1.87_229.0695m/z 229.0695 1.87 391.7012 354.0923 419.9358 378.8652 369.6058 421.4922 1.87_231.0379m/z 231.0379 1.87 234.1278 246.5095 246.1288 250.1553 220.2777 263.1794 1.87_232.9978m/z 232.9978 1.87 500.0825 453.2483 498.8492 463.0669 464.7983 484.7248 1.87_282.0028m/z 282.0028 1.87 122.7923 97.8160 140.0413 121.4246 135.8565 119.2140 1.88_103.0405m/z 103.0405 1.88 171.4876 147.9212 193.9864 158.6669 174.3211 174.8237 C4H8O3 Alpha-Hydroxyisobutyric acid 2-hydroxyisobutyric acid HMDB00729 HIGH 1.91_287.0425m/z 287.0425 1.91 61.9392 84.4941 92.1444 72.8540 85.9025 98.0710 1.92_231.1346m/z 231.1346 1.92 203.2219 187.2953 230.9729 176.3017 219.9757 184.6190 1.92_276.0180m/z 276.0180 1.92 162.9739 173.7908 178.6976 167.7989 133.9646 173.1714 1.92_318.0863m/z 318.0863 1.92 180.7015 194.1797 205.3809 211.9346 188.4810 213.2652 C9H23NO7P2 Ibandronate MEDIUM 1.92_357.0283m/z 357.0283 1.92 121.3329 121.3554 106.5596 122.5300 128.3139 101.8681 1.92_508.0507m/z 508.0507 1.92 171.6678 124.5915 78.2116 76.8624 60.9037 51.6660 1.93_130.0875m/z 130.0875 1.93 976.8585 975.3177 1009.5528 975.9999 1023.4043 1101.9410 C6H13NO2 D-Leucine HMDB13773 HIGH 1.93_220.0550m/z 220.0550 1.93 162.9414 153.3495 177.6292 139.1465 157.2964 155.2311 1.93_283.1639m/z 283.1639 1.93 313.4214 339.8301 342.6715 314.6291 331.6947 377.0704 1.93_413.1201m/z 413.1201 1.93 228.4270 222.4560 218.5504 239.1831 205.5840 249.0161 1.93_445.1871m/z 445.1871 1.93 356.0042 330.9552 394.8982 377.6311 335.6565 430.4659 1.93_462.2392m/z 462.2392 1.93 197.5306 230.1593 241.3763 248.2351 227.2484 280.0885 1.93_547.3286m/z 547.3286 1.93 224.7563 241.3935 290.3617 275.7537 254.8292 333.8907 1.93_576.2807m/z 576.2807 1.93 255.7403 249.9777 307.5235 304.6145 244.2062 357.8617 1.94_198.0745m/z 198.0745 1.94 418.9191 405.8890 444.2412 400.4300 416.9468 442.4022 1.94_214.0170m/z 214.0170 1.94 56.1637 37.6440 73.6313 39.8862 66.3231 42.5061 1.94_230.0109m/z 230.0109 1.94 291.3738 283.3888 286.4474 281.9917 282.5228 316.7447 1.94_260.0447m/z 260.0447 1.94 1512.1791 1453.4588 1648.2964 1533.1141 1540.0760 1581.9754 1.94_270.0389m/z 270.0389 1.94 84.8381 82.1596 82.7258 75.3701 83.7321 71.3384 1.94_273.0732m/z 273.0732 1.94 192.8933 216.2242 160.9908 177.6502 196.9778 165.7875 C10H16N2O8 Edetic Acid Edetic Acid MEDIUM 1.94_316.1067m/z 316.1067 1.94 197.2560 196.8384 200.5493 216.5362 190.2786 219.1122 1.94_345.1344m/z 345.1344 1.94 844.2440 861.6795 907.6289 867.9914 902.0565 948.4115 1.94_361.1065m/z 361.1065 1.94 498.4550 486.6772 522.7405 501.4891 483.5045 537.0148 1.94_430.2229m/z 430.2229 1.94 243.7560 227.3042 255.2475 257.5722 250.1872 280.6159 1.95_263.0234m/z 263.0234 1.95 135.4192 151.6634 150.5727 118.2913 128.6043 137.3032 1.95_375.0175m/z 375.0175 1.95 107.5506 110.9454 114.7730 107.5421 106.9672 100.9591 1.97_390.0023m/z 390.0023 1.97 298.0539 309.1785 280.7112 282.2255 278.7472 278.5628 10.00_343.2131m/z 343.2131 10.00 1395.0116 1424.9120 1400.7368 1413.4977 1450.5137 1485.8648 10.00_427.1768m/z 427.1768 10.00 158.1599 149.2234 153.8186 134.6943 144.9396 137.0911 10.00_494.1940m/z 494.1940 10.00 248.4879 228.5855 239.9961 235.1251 228.6187 268.9686 10.02_543.2804m/z 543.2804 10.02 721.3503 775.4103 745.8985 772.8587 718.3263 734.4761 10.03_132.9818m/z 132.9818 10.03 94.5210 90.3924 93.1560 85.9978 89.0181 108.1917 10.05_509.2398m/z 509.2398 10.05 71.9240 92.6616 84.0281 82.8043 84.2372 89.6723 10.06_670.8247m/z 670.8247 10.06 150.0351 146.3893 142.8893 154.1194 125.2751 114.8838 10.07_192.9925m/z 192.9925 10.07 113.7425 100.1285 110.5460 92.0152 101.3386 98.7805 10.07_266.8912m/z 266.8912 10.07 179.5943 177.4261 178.9764 178.2666 171.6248 178.1238 10.08_222.1138m/z 222.1138 10.08 110.6503 129.3965 141.6609 136.4784 142.7645 124.6903 C12H17NO3 Bufexamac MEDIUM 10.08_431.2256m/z 431.2256 10.08 285.0008 278.7274 311.1096 318.1629 337.7036 354.2047 10.10_539.2503m/z 539.2503 10.10 424.1861 415.7833 427.9850 408.0615 414.0934 409.2529 10.10_600.2853m/z 600.2853 10.10 2717.4687 2797.1810 2877.0397 2811.4536 2884.8516 2868.9918 10.11_280.0974m/z 280.0974 10.11 292.7579 312.0622 312.4414 295.3589 277.2638 300.4780 10.11_280.6000m/z 280.6000 10.11 34.4779 42.3316 40.9146 28.2061 44.6525 44.8733 10.11_385.1711m/z 385.1711 10.11 869.1157 881.3307 905.6969 860.7241 898.3472 922.5954 10.11_561.2014m/z 561.2014 10.11 390.5710 436.0130 443.2042 421.1146 407.0201 436.9798 10.11_640.3332m/z 640.3332 10.11 239.6996 258.2475 247.8000 244.9939 248.0677 229.0842 10.12_583.1826m/z 583.1826 10.12 87.1022 114.0323 128.1332 107.9650 131.5066 115.7267 10.13_169.0873m/z 169.0873 10.13 65.2787 66.3704 74.7662 60.0963 59.7900 66.0470 10.13_541.2661m/z 541.2661 10.13 5641.6214 5728.5440 5734.6810 5553.9013 5791.1487 5854.6940 10.13_609.2527m/z 609.2527 10.13 332.6472 361.5344 342.6870 353.6172 346.7336 345.9226 10.14_361.2065m/z 361.2065 10.14 145.1852 136.4639 151.4413 139.8969 150.3757 136.7192 10.14_477.1669m/z 477.1669 10.14 98.2124 110.7007 101.2713 114.4761 118.2488 91.8594 10.14_494.1860m/z 494.1860 10.14 36.7999 46.8767 34.0140 53.6910 53.7400 67.9914 10.15_132.9819m/z 132.9819 10.15 68.9221 65.5439 68.9898 68.2047 69.9405 72.3623 10.15_246.0748m/z 246.0748 10.15 299.0931 294.3957 274.3587 265.4390 331.3274 282.2971 10.15_309.1017m/z 309.1017 10.15 270.0267 264.4087 254.7820 253.8477 281.5004 254.4367 10.15_331.1920m/z 331.1920 10.15 773.1830 794.9769 814.1886 804.0531 777.3009 808.6846 10.15_397.1793m/z 397.1793 10.15 499.6908 487.3092 500.5767 485.0560 518.8000 534.9832 10.15_407.2081m/z 407.2081 10.15 2338.1149 2370.2460 2450.0767 2329.9243 2393.7749 2520.1748 10.16_631.2402m/z 631.2402 10.16 411.2517 449.7659 525.6553 525.9789 500.6980 555.9643 10.17_226.9607m/z 226.9607 10.17 128.8525 132.2523 149.1703 129.4928 121.5966 99.7522 10.17_425.1815m/z 425.1815 10.17 126.0545 136.2107 109.5050 130.6438 137.8628 131.9704 10.17_984.0162m/z 984.0162 10.17 353.9385 312.3655 331.6409 336.2721 306.5503 325.6261 10.17_984.5165m/z 984.5165 10.17 266.3831 254.7567 229.9974 230.9961 230.0256 257.7642 10.19_381.2075m/z 381.2075 10.19 282.6341 312.8996 308.8066 309.5054 351.6474 337.5420 10.20_365.1441m/z 365.1441 10.20 564.6340 614.2209 657.1720 622.4362 605.1743 641.7669 10.20_387.1846m/z 387.1846 10.20 587.5534 625.7913 622.6019 589.6252 630.5752 632.4821 10.21_239.5862m/z 239.5862 10.21 1151.2244 1178.3522 1237.1720 1142.1639 1196.5229 1221.1751 10.21_443.2093m/z 443.2093 10.21 155.6833 163.5792 174.5716 162.5553 151.7693 173.9810 10.22_510.1874m/z 510.1874 10.22 276.8632 252.6906 256.9871 258.6162 275.4356 270.1599 10.22_527.2829m/z 527.2829 10.22 249.9811 247.3460 257.5604 252.8209 234.0990 260.1818 10.24_343.2127m/z 343.2127 10.24 2159.9766 2224.6947 2221.0091 2192.9590 2237.2260 2234.3650 10.25_248.9032m/z 248.9032 10.25 806.5425 867.4726 873.3214 870.5129 802.8486 858.6584 10.25_580.7803m/z 580.7803 10.25 141.1051 67.9313 55.1920 53.8275 71.0184 62.0235 10.26_244.9085m/z 244.9085 10.26 1958.0092 2027.9704 2045.4273 2068.0048 2026.9776 2151.9509 10.26_246.9056m/z 246.9056 10.26 1929.9550 1991.3629 2045.6442 2033.1409 2051.1818 2080.4540 10.26_541.2655m/z 541.2655 10.26 1264.2114 1321.5571 1271.0235 1287.7264 1305.2652 1294.0917 10.27_433.2070m/z 433.2070 10.27 190.5826 217.8177 266.0030 248.7610 241.5694 265.2132 10.27_879.9510m/z 879.9510 10.27 631.8498 636.3400 655.6218 630.5881 643.0265 618.5204 10.27_880.4529m/z 880.4529 10.27 493.1141 482.5301 457.6814 479.1535 451.1112 478.8233 10.28_228.1608m/z 228.1608 10.28 165.9054 169.9188 189.8320 186.7921 215.0453 223.8108 C12H23NO3 Icaridin MEDIUM 10.28_411.1852m/z 411.1852 10.28 2189.7078 2265.4288 2302.2760 2325.5321 2301.2802 2361.2083 10.28_507.2078m/z 507.2078 10.28 165.3753 174.8910 144.6730 170.7713 161.4840 193.6248 10.29_523.2187m/z 523.2187 10.29 211.2816 218.8143 226.0079 225.0218 214.8835 228.1348 10.32_385.1700m/z 385.1700 10.32 260.7988 269.4475 279.5723 269.2266 286.0899 265.5033 10.33_150.9769m/z 150.9769 10.33 90.5993 82.7169 84.5910 88.1501 77.8720 79.5690 10.33_481.2422m/z 481.2422 10.33 298.0034 315.1636 307.5431 323.9815 335.6284 337.8272 10.34_204.9553m/z 204.9553 10.34 225.0276 229.8321 232.7949 211.6078 226.1209 231.4386 10.34_253.1080m/z 253.1080 10.34 282.5106 273.0818 303.9257 294.8025 289.6208 285.5649 10.34_465.1790m/z 465.1790 10.34 159.5063 177.7955 158.7125 157.5608 174.0135 143.5087 10.35_378.1020m/z 378.1020 10.35 318.5051 359.0830 343.7365 353.4538 356.6733 342.1141 10.35_378.9161m/z 378.9161 10.35 101.0139 80.9794 81.4012 70.2341 78.4901 82.4441 10.35_433.2092m/z 433.2092 10.35 161.4716 175.6520 219.5978 193.7903 240.2943 222.6206 10.35_525.2691m/z 525.2691 10.35 285.7193 298.6406 278.2865 314.7227 303.2298 320.5302 10.35_539.2503m/z 539.2503 10.35 3540.4355 3639.5937 3718.9318 3536.6923 3685.6648 3662.9546 10.35_607.2371m/z 607.2371 10.35 230.9135 235.2515 245.7478 237.8114 239.3091 243.1893 10.36_183.1027m/z 183.1027 10.36 62.0922 48.5703 70.3462 76.9445 60.6233 53.5894 10.36_414.2001m/z 414.2001 10.36 114.6675 106.7849 121.8444 119.0095 146.2128 118.4782 10.37_351.1631m/z 351.1631 10.37 141.2151 160.2146 163.4835 163.6092 187.5390 158.9854 10.37_479.2264m/z 479.2264 10.37 335.8168 331.6054 326.1139 321.8054 343.2651 344.1874 10.39_273.1075m/z 273.1075 10.39 239.0218 250.4732 247.0567 244.7982 239.2052 244.5510 10.39_273.6092m/z 273.6092 10.39 25.2691 36.2300 35.1650 32.2438 36.8497 32.8293 10.39_547.2215m/z 547.2215 10.39 292.1166 287.5901 285.7875 280.8743 304.2337 308.1254 10.40_288.6197m/z 288.6197 10.40 136.9282 118.7984 157.2384 131.2887 139.3236 151.6142 10.40_953.8001m/z 953.8001 10.40 77.5263 127.7998 94.4261 96.0805 104.0229 94.9994 10.40_954.1375m/z 954.1375 10.40 84.7401 101.2661 93.1031 81.9441 97.6278 99.0873 10.41_286.1157m/z 286.1157 10.41 319.9038 343.2917 299.0079 305.6201 315.4999 342.5644 10.41_286.6171m/z 286.6171 10.41 82.3981 93.4579 75.4723 78.3703 83.4626 74.0693 10.41_387.1850m/z 387.1850 10.41 2195.7914 2263.9648 2237.3014 2256.5534 2267.5431 2367.1376 10.41_443.2099m/z 443.2099 10.41 143.7639 138.6847 166.1091 154.7092 146.0973 159.3127 10.42_343.2127m/z 343.2127 10.42 1036.6763 991.7199 1021.8175 1048.7655 1067.7399 1077.5577 10.43_383.1611m/z 383.1611 10.43 92.0105 103.9987 84.4183 91.7975 122.1530 101.1568 10.43_527.2182m/z 527.2182 10.43 1997.2275 2013.2575 1983.6024 2015.0911 2026.0726 2049.9596 10.43_549.1975m/z 549.1975 10.43 303.3947 256.6373 290.6553 299.0235 272.8745 290.4931 10.43_819.4226m/z 819.4226 10.43 562.8023 567.9277 509.0707 582.7525 578.8038 608.1077 10.43_819.9240m/z 819.9240 10.43 415.4900 398.6192 369.0868 395.6740 418.8644 388.5482 10.45_346.1780m/z 346.1780 10.45 59.1675 62.7048 39.4991 54.7726 75.1133 50.3379 10.45_476.1906m/z 476.1906 10.45 93.4767 120.2952 117.2136 124.7959 97.7234 123.0270 10.47_525.2706m/z 525.2706 10.47 1808.3047 1883.4082 1865.7887 1895.0613 1827.7010 2004.2302 10.47_593.2566m/z 593.2566 10.47 116.1164 112.4259 126.7109 125.9953 116.2218 129.1762 10.47_743.4822m/z 743.4822 10.47 115.3712 141.8631 90.4233 134.6773 113.4326 130.9417 10.48_216.9705m/z 216.9705 10.48 135.8284 155.5496 150.3936 137.9528 143.2129 151.6904 10.51_217.9772m/z 217.9772 10.51 207.0432 230.9643 229.0180 227.8246 227.5141 229.1634 10.51_262.6204m/z 262.6204 10.51 313.2233 332.9869 325.7351 313.5823 309.9129 326.0237 10.51_263.1219m/z 263.1219 10.51 85.1864 120.6421 119.4368 108.9344 107.2849 94.9084 10.51_291.1234m/z 291.1234 10.51 187.6247 166.5493 161.5849 177.9117 193.0014 140.3134 C16H20O5 Mono-2-ethyl-5-oxohexyl phthalate 40321-98-0 MEDIUM 10.51_548.2267m/z 548.2267 10.51 59.4674 66.3327 59.9500 54.1852 68.7055 61.1897 10.52_369.1743m/z 369.1743 10.52 28205.6516 28908.3416 29013.5273 29641.4140 29582.3404 30944.6363 10.52_437.1614m/z 437.1614 10.52 633.7381 665.2163 655.1279 676.5614 645.7893 679.9082 10.52_479.2260m/z 479.2260 10.52 158.3869 154.5467 186.2145 169.6537 182.8236 151.2577 10.52_488.1919m/z 488.1919 10.52 116.6679 130.2609 147.2295 129.9354 121.4866 128.0975 10.52_499.1342m/z 499.1342 10.52 141.8960 163.6179 156.2166 177.7603 178.9517 162.6966 10.52_543.2798m/z 543.2798 10.52 180.1734 195.9324 190.4592 191.8807 179.7347 212.0242 10.53_413.1984m/z 413.1984 10.53 149.9362 166.2626 170.7225 165.2202 168.7319 174.3026 10.53_481.2433m/z 481.2433 10.53 1292.1135 1305.2814 1314.6504 1335.9975 1335.1260 1411.6754 10.54_183.1029m/z 183.1029 10.54 19.0691 19.8275 6.9675 26.3548 20.5086 31.5439 10.54_196.9691m/z 196.9691 10.54 112.7997 122.2066 132.9238 115.0390 114.3273 123.3733 10.54_204.9496m/z 204.9496 10.54 361.0269 375.2828 381.1917 379.1828 373.6119 386.4723 10.54_297.1331m/z 297.1331 10.54 124.4608 159.0668 154.7851 179.8258 158.0890 147.5106 C15H22O6 Toxin T2 tetrol MEDIUM 10.55_427.1789m/z 427.1789 10.55 2303.2046 2386.2405 2342.9571 2312.9136 2278.5613 2403.9372 10.55_631.2400m/z 631.2400 10.55 689.5377 797.5037 918.4445 910.3276 854.5122 888.2983 10.55_653.2222m/z 653.2222 10.55 126.8355 132.8576 140.9611 135.5416 139.5378 141.5649 10.56_213.0859m/z 213.0859 10.56 115.2249 128.6766 117.0577 123.5994 105.6454 130.6587 10.57_541.2647m/z 541.2647 10.57 834.0284 871.6014 874.4248 853.8380 836.9432 860.3463 10.60_221.0818m/z 221.0818 10.60 688.7965 724.3680 700.7625 717.5816 693.8008 763.3267 C12H14O4 Diethyl phthalate 84-66-2 MEDIUM 10.63_207.1390m/z 207.1390 10.63 60.2132 63.6859 64.0638 64.8065 60.7392 62.2170 10.63_467.1928m/z 467.1928 10.63 841.9968 858.5264 847.0487 821.2414 857.5841 898.4884 10.63_524.2495m/z 524.2495 10.63 117.6326 127.2848 121.7520 138.2936 113.6659 113.3385 10.63_605.2368m/z 605.2368 10.63 528.7958 578.3624 454.0274 461.4964 414.3939 419.0350 10.64_227.1287m/z 227.1287 10.64 343.9383 331.2434 335.0694 340.4928 332.1883 343.4390 10.64_381.1386m/z 381.1386 10.64 339.0662 326.8466 354.5887 345.1504 338.4593 366.7841 10.64_488.1913m/z 488.1913 10.64 369.6081 378.4250 400.5924 391.4752 366.5865 381.7562 10.64_509.2713m/z 509.2713 10.64 205.9483 217.3870 237.8882 217.9457 227.2045 222.9867 10.64_583.2560m/z 583.2560 10.64 3034.0837 3273.1130 2617.6769 2487.3416 2494.9452 2366.3952 C33H36N4O6 Bilirubin Bilirubin 16990 HIGH 10.66_225.1495m/z 225.1495 10.66 887.3600 864.7802 987.3036 870.8646 870.5847 913.1542 C13H24O4 "1,11-Undecanedicarboxylic acid" Tridecanedioic acid HMDB02327 HIGH 10.66_264.1291m/z 264.1291 10.66 35.8528 23.4131 40.3746 40.0070 31.6980 50.5570 10.66_528.2613m/z 528.2613 10.66 756.7236 806.2270 813.5357 828.2638 756.8433 845.9313 10.68_140.8684m/z 140.8684 10.68 105.7366 102.1303 107.5921 92.0438 107.0293 107.9755 10.68_367.2097m/z 367.2097 10.68 269.1326 282.1688 279.4556 285.3613 261.4435 296.7408 10.68_451.1997m/z 451.1997 10.68 305.4433 325.3267 346.3473 330.2840 306.0177 344.6563 10.68_629.2288m/z 629.2288 10.68 82.4601 89.7388 75.0818 86.7804 83.4572 74.3711 10.69_351.1619m/z 351.1619 10.69 122.3013 131.6854 128.5334 130.7738 155.2310 138.3398 10.69_526.2465m/z 526.2465 10.69 544.8862 576.2334 591.9143 572.6360 541.6585 571.7266 10.70_132.9817m/z 132.9817 10.70 188.0167 177.0118 205.7817 183.5345 190.7340 205.9938 10.70_185.1175m/z 185.1175 10.70 39.6854 18.2792 22.8313 23.3899 27.3384 26.7759 10.70_262.6205m/z 262.6205 10.70 271.6491 249.5631 231.5162 236.1223 242.6678 245.5098 10.72_162.9836m/z 162.9836 10.72 76.1465 70.1987 72.0928 78.2513 80.7880 86.6613 10.72_164.9281m/z 164.9281 10.72 132.2087 119.2236 134.4358 124.0623 127.7601 125.5944 10.72_415.2124m/z 415.2124 10.72 150.8841 170.2544 151.2472 169.5641 132.3678 140.6576 10.73_166.9303m/z 166.9303 10.73 51.8038 52.6660 63.0682 58.5349 60.6750 45.8746 10.73_539.2477m/z 539.2477 10.73 596.5248 615.7408 648.7588 610.8401 652.3221 648.5187 10.73_541.2638m/z 541.2638 10.73 1337.4869 1341.5858 1387.9047 1342.2260 1326.5741 1431.7383 10.75_215.1290m/z 215.1290 10.75 164.5128 165.3182 165.1959 167.5302 161.4696 186.2211 10.75_411.1870m/z 411.1870 10.75 818.8685 819.8692 793.3943 813.1314 819.6417 813.6779 10.75_488.1912m/z 488.1912 10.75 132.2103 154.8481 138.0454 139.7491 126.4270 123.5960 10.77_286.8974m/z 286.8974 10.77 71.8069 79.7514 81.6977 51.4442 75.0598 71.1080 10.77_291.1237m/z 291.1237 10.77 136.4992 151.2604 147.6575 142.7038 149.0300 157.1666 C16H20O5 Mono-2-ethyl-5-oxohexyl phthalate 40321-98-0 MEDIUM 10.78_287.6121m/z 287.6121 10.78 38.5505 19.1175 12.8198 26.6656 24.4939 23.3733 10.79_425.1653m/z 425.1653 10.79 245.4777 261.2127 258.5442 247.7228 254.3119 256.9329 10.79_511.2873m/z 511.2873 10.79 128.5580 152.9076 144.6740 177.6808 134.3433 149.2851 10.81_523.2168m/z 523.2168 10.81 205.7910 200.7338 209.8157 201.4605 190.5138 188.0235 10.82_314.1024m/z 314.1024 10.82 139.6671 133.1104 129.9520 137.3114 132.5347 140.7004 10.86_309.1693m/z 309.1693 10.86 108.3707 87.9325 90.5273 103.1882 109.2429 105.6354 10.86_343.2122m/z 343.2122 10.86 2767.4026 2830.6341 2826.8758 2828.9578 2821.5215 2958.7588 10.86_607.3109m/z 607.3109 10.86 109.3171 100.2001 115.4870 117.7292 101.1104 85.2089 10.87_227.1285m/z 227.1285 10.87 162.0304 169.4992 175.8091 174.1948 158.1421 168.5210 10.87_249.1127m/z 249.1127 10.87 387.5515 357.2000 369.0111 348.9424 400.6239 425.3724 C14H18O4 Ubiquinone-1 Ubiquinone-1 HMDB02012 HIGH 10.88_385.1686m/z 385.1686 10.88 2480.3921 2480.4237 2517.1696 2562.7409 2561.8950 2674.1984 10.88_443.2019m/z 443.2019 10.88 110.1570 124.2605 105.9362 103.4179 131.8433 112.5482 10.91_333.2069m/z 333.2069 10.91 556.3602 586.6860 581.2550 555.0727 543.6818 595.7444 C20H32O5 Grayanotoxin II Grayanotoxin II MEDIUM 10.91_371.1885m/z 371.1885 10.91 1547.4384 1593.4921 1659.1352 1733.8987 1595.0058 1833.4732 C22H28O5 Pyrethrum 39098 MEDIUM 10.92_293.1390m/z 293.1390 10.92 1625.7371 1663.3988 1698.8218 1710.6811 1615.3036 1698.3101 C16H22O5 Mono-2-ethyl-5-hydroxyhexyl phthalate 40321-99-1 HIGH 10.92_361.1291m/z 361.1291 10.92 191.8889 211.3149 181.8803 193.8948 184.0821 181.0651 10.94_291.1233m/z 291.1233 10.94 344.4168 355.5789 360.2951 374.6530 354.5638 372.9658 C16H20O5 Mono-2-ethyl-5-oxohexyl phthalate 40321-98-0 MEDIUM 10.94_389.1834m/z 389.1834 10.94 64.3872 91.5071 93.4996 85.2152 73.1004 78.0522 10.95_335.6490m/z 335.6490 10.95 311.1850 306.2459 324.4193 308.3923 305.9987 321.0869 10.95_336.1503m/z 336.1503 10.95 128.3776 127.3042 119.9224 130.7796 151.1100 125.4599 10.95_525.2652m/z 525.2652 10.95 56.4301 50.0897 62.2296 46.7533 31.2135 58.3243 10.95_672.3049m/z 672.3049 10.95 216.5946 233.6610 254.8590 264.3591 215.7961 250.5576 10.96_526.2482m/z 526.2482 10.96 121.1908 108.7238 120.1671 107.3124 117.7618 115.0865 10.97_313.1189m/z 313.1189 10.97 217.6448 216.1503 212.4333 239.9907 220.5673 266.1182 10.99_132.9815m/z 132.9815 10.99 151.6925 145.3427 162.2907 151.6018 158.3687 164.7047 10.99_367.1588m/z 367.1588 10.99 322639.9046 325945.5443 332055.5476 343148.3025 332585.0060 344550.6440 C19H28O5S Dehydroepiandrosterone sulfate Dehydroepiandrosterone sulfate 16814 HIGH 10.99_367.3195m/z 367.3195 10.99 7581.0372 7784.9716 7745.7391 8340.4086 7366.6147 7218.3549 10.99_425.1168m/z 425.1168 10.99 862.9792 835.0815 871.6021 885.8947 842.9110 882.2941 10.99_427.1139m/z 427.1139 10.99 366.9312 389.8154 400.6741 447.2323 345.5786 380.0774 10.99_481.1424m/z 481.1424 10.99 475.0808 497.9223 495.3241 514.9286 523.2714 517.0041 10.99_501.1341m/z 501.1341 10.99 215.7225 255.0996 278.8603 308.6124 261.2907 266.4386 10.99_503.1326m/z 503.1326 10.99 1178.0294 1179.6075 1262.3915 1296.6293 1170.9550 1252.2930 C24H28N2O6S2 "Biscarbofuran N,N'-disulfide" MEDIUM 10.99_516.1334n 497.1155 10.99 2580.7165 2615.4067 2736.1538 2789.5982 2631.7703 2765.3402 10.99_565.1032m/z 565.1032 10.99 739.5954 730.1133 759.3093 822.4290 731.8667 773.9722 10.99_571.1191m/z 571.1191 10.99 314.1092 330.6961 371.7398 319.9842 318.8387 328.2993 10.99_627.0720m/z 627.0720 10.99 170.3475 192.4629 212.2144 202.9838 183.1568 196.4201 10.99_735.3245m/z 735.3245 10.99 240.7380 289.0823 244.1558 288.4297 278.7594 258.0295 10.99_757.3054m/z 757.3054 10.99 2780.6845 3033.0442 2860.3564 3400.0187 3008.4978 3087.9712 10.99_819.2746m/z 819.2746 10.99 199.1842 240.4979 231.4686 216.1751 230.3532 237.5698 10.99_825.2926m/z 825.2926 10.99 254.5374 295.3556 264.5523 317.9925 276.7232 270.2149 11.00_251.0959m/z 251.0959 11.00 606.6629 498.3626 812.8054 392.8850 829.5768 1094.3385 11.00_351.1586m/z 351.1586 11.00 233.1705 230.6005 233.4490 254.0094 271.7579 240.7634 11.00_435.1455m/z 435.1455 11.00 9678.1212 9886.2147 10287.7238 10505.5313 9893.6765 10335.3941 11.00_477.1344m/z 477.1344 11.00 269.8891 316.3320 308.5653 306.7631 249.1839 331.6126 11.00_494.1554n 475.1376 11.00 384.5300 377.5742 389.7788 381.8941 358.1205 369.0920 11.00_543.1265m/z 543.1265 11.00 514.2721 565.6206 582.9681 621.4318 548.0245 567.0160 11.00_633.0894m/z 633.0894 11.00 313.8593 331.7952 340.6213 327.2569 337.4754 341.2958 11.00_701.0746m/z 701.0746 11.00 133.2075 128.0429 127.4417 177.9511 140.8372 165.7549 11.01_140.8675m/z 140.8675 11.01 90.0202 88.3668 107.1566 82.1839 86.5039 93.6569 11.01_213.1480m/z 213.1480 11.01 11.1998 19.5818 16.3104 8.3365 5.5465 23.6189 11.01_562.2293m/z 562.2293 11.01 113.5024 115.4451 127.2288 132.9533 99.9942 119.9227 11.03_226.9621m/z 226.9621 11.03 67.6486 51.4244 60.2661 70.2224 66.6992 62.5381 11.03_415.1977m/z 415.1977 11.03 1347.8135 1367.5152 1395.8630 1380.0615 1415.5896 1486.8284 C24H32O4S Spironolactone Spironolactone 9241 MEDIUM 11.03_453.2136m/z 453.2136 11.03 550.2294 616.2604 617.1846 609.8192 601.5467 601.5395 11.05_309.1011m/z 309.1011 11.05 704.8836 734.6865 745.8067 750.5683 737.1954 738.0962 C15H20O8 Anisatin MEDIUM 11.05_335.0487m/z 335.0487 11.05 2.2993 3.4986 2.7399 2.8537 1.5402 2.0752 11.06_464.3010m/z 464.3010 11.06 256.4109 236.9746 253.5599 234.1235 266.8174 240.8308 11.06_521.2025m/z 521.2025 11.06 445.7664 454.1646 455.3162 462.4620 425.8954 458.1942 11.06_605.3261m/z 605.3261 11.06 60.7778 83.9024 71.8752 83.7813 61.4568 68.5387 11.07_291.1231m/z 291.1231 11.07 653.0963 674.7194 711.9408 690.9550 674.4504 681.5297 C16H20O5 Mono-2-ethyl-5-oxohexyl phthalate 40321-98-0 MEDIUM 11.07_293.1371m/z 293.1371 11.07 419.8010 434.2211 445.9614 445.2133 445.2102 445.6546 C16H22O5 Mono-2-ethyl-5-hydroxyhexyl phthalate 40321-99-1 HIGH 11.07_411.1866m/z 411.1866 11.07 337.7263 370.3024 364.1798 366.4855 334.4904 354.9320 11.08_313.1185m/z 313.1185 11.08 533.6102 536.8224 542.5279 598.3192 553.0694 525.3038 11.08_347.2432m/z 347.2432 11.08 2229.8030 2308.8912 2364.2260 2330.1353 2254.4536 2308.5731 11.09_305.0816m/z 305.0816 11.09 1892.2084 1808.6416 2005.5254 1890.5295 1857.2766 1828.4645 11.09_350.0268m/z 350.0268 11.09 1024.3433 1093.9341 1102.3902 1132.4216 1071.9126 1099.3825 C14H13N3O4S2 Meloxicam Meloxicam 120496 MEDIUM 11.09_447.9146m/z 447.9146 11.09 160.4429 171.7107 170.7457 198.1900 169.6236 175.3199 11.09_449.9120m/z 449.9120 11.09 156.4073 165.6915 179.5883 174.4340 153.9444 182.1128 11.09_451.9031m/z 451.9031 11.09 122.7224 118.8858 117.1804 119.9374 142.4830 124.6672 11.09_479.2248m/z 479.2248 11.09 268.8944 285.5636 265.2336 276.7778 270.6238 256.0866 11.09_485.8872m/z 485.8872 11.09 125.5339 96.6534 102.7397 107.8758 106.9558 94.2792 11.12_264.1368m/z 264.1368 11.12 355.4214 346.3230 367.6134 312.7364 405.7793 363.9680 11.12_397.1678m/z 397.1678 11.12 2287.3609 2346.6026 2403.9431 2405.0112 2400.0973 2403.0336 11.13_263.6280m/z 263.6280 11.13 646.6537 685.2079 686.8236 678.2364 663.7110 688.5624 11.13_448.3047m/z 448.3047 11.13 158.1840 152.1531 159.2221 166.0147 155.3259 154.7540 11.13_453.2258m/z 453.2258 11.13 109.0251 146.4540 142.0007 114.7618 140.3359 107.3662 11.13_528.2623m/z 528.2623 11.13 3981.3133 3970.3747 4137.9456 4116.0219 3997.7846 4200.5516 11.13_550.2438m/z 550.2438 11.13 812.8301 844.0013 858.9134 863.5962 841.1202 847.4058 11.14_525.2647m/z 525.2647 11.14 142.3675 157.3599 151.9513 139.1334 128.5795 153.1765 11.16_281.1421m/z 281.1421 11.16 208.1029 236.6674 244.5246 214.3613 211.3469 232.3080 C15H22O5 Artemisinin MEDIUM 11.16_291.1234m/z 291.1234 11.16 508.2436 498.2720 528.6088 521.4379 526.8534 512.9981 C16H20O5 Mono-2-ethyl-5-oxohexyl phthalate 40321-98-0 HIGH 11.16_553.2271m/z 553.2271 11.16 326.5124 342.5782 314.2180 370.4285 343.9415 359.0890 11.17_242.1760m/z 242.1760 11.17 3563.6258 3517.1583 3722.3396 3648.9269 4142.5345 4248.9539 11.17_293.1374m/z 293.1374 11.17 430.9487 415.2799 439.5580 415.8229 434.2344 430.0438 C16H22O5 Mono-2-ethyl-5-hydroxyhexyl phthalate 40321-99-1 HIGH 11.17_310.1612m/z 310.1612 11.17 132.1629 135.6719 136.1696 130.1817 143.5303 152.1315 11.17_351.1609m/z 351.1609 11.17 240.2878 202.4769 242.0508 245.5044 239.8230 286.4965 11.17_379.1868m/z 379.1868 11.17 45.1092 87.7761 64.9988 62.9104 108.6862 54.4742 11.19_151.1126m/z 151.1126 11.19 224.8541 227.3344 206.7128 222.2202 210.3605 210.1845 C10H16O Perillyl alcohol HMDB03634 HIGH 11.19_195.1023m/z 195.1023 11.19 2913.6174 2884.6960 2885.8253 2819.7257 2774.3685 2984.7502 11.19_217.0832m/z 217.0832 11.19 187.2815 182.8044 167.1731 193.2976 171.3856 191.5420 11.19_239.0915m/z 239.0915 11.19 11440.1746 11545.2048 11417.5079 11363.4137 11340.3407 11862.8413 11.19_261.0740m/z 261.0740 11.19 1002.1652 980.8835 989.6199 958.2789 957.5377 1002.4184 11.19_307.0733m/z 307.0733 11.19 145.9068 148.6363 131.7115 113.3834 132.0540 150.5608 11.19_323.0444m/z 323.0444 11.19 419.9209 396.8069 427.4797 430.7129 399.8641 431.8817 11.19_329.0614m/z 329.0614 11.19 666.4839 648.8051 650.6728 649.1466 644.7164 676.8204 11.19_505.2629m/z 505.2629 11.19 400.5807 385.1441 373.8655 386.2123 342.3149 389.3502 11.20_209.1541m/z 209.1541 11.20 300.7619 316.0820 346.7753 305.2010 338.8761 404.9219 C13H22O2 Isobornyl propionate MEDIUM 11.20_303.0609m/z 303.0609 11.20 203.0551 185.1677 186.8448 173.2330 173.3203 181.1675 11.20_503.1671m/z 503.1671 11.20 91.5771 92.0038 124.3211 115.6296 93.6812 120.3299 11.21_202.9438m/z 202.9438 11.21 120.2432 99.5059 111.4914 111.2277 105.8662 113.7595 11.21_287.6113m/z 287.6113 11.21 226.3006 246.7368 222.4033 234.0810 247.8395 234.6504 11.21_383.6854m/z 383.6854 11.21 147.6166 154.2779 139.5220 148.1828 153.9603 164.4165 11.21_514.2825m/z 514.2825 11.21 636.9322 630.9404 613.7760 638.0658 642.7918 656.9434 11.22_369.2239m/z 369.2239 11.22 1009.9563 916.6667 962.5319 1006.3601 973.0133 1032.9155 11.22_384.1869m/z 384.1869 11.22 94.9211 100.5348 80.0848 87.7580 115.4458 98.0358 11.24_140.8674m/z 140.8674 11.24 99.2408 87.9486 93.6996 87.0182 100.0094 96.0375 11.24_150.9772m/z 150.9772 11.24 143.3627 142.3289 171.1972 133.6394 152.0117 150.3701 11.24_511.2347m/z 511.2347 11.24 167.0134 175.8315 200.5091 207.1422 187.5674 180.3782 11.24_741.3677m/z 741.3677 11.24 408.2048 394.6460 379.3014 413.3064 443.5762 439.2518 11.24_741.8689m/z 741.8689 11.24 296.1988 307.8586 323.9854 308.7994 299.1966 313.6262 11.25_141.0707m/z 141.0707 11.25 71.4990 80.1511 82.7402 83.4129 76.9242 79.8542 C11H10 1-Methylnaphthalene 50717 MEDIUM 11.25_169.0653m/z 169.0653 11.25 9237.3264 9409.8138 9429.5884 9765.0510 8980.5596 9653.1708 11.25_171.0761m/z 171.0761 11.25 368.9869 343.3253 360.0295 378.6940 318.1634 381.4815 11.25_185.0966m/z 185.0966 11.25 223.6473 233.4131 215.0981 236.7738 223.5466 255.0561 11.25_287.0433m/z 287.0433 11.25 99.6385 111.4223 108.7745 116.0348 102.2032 98.7365 11.25_297.0737m/z 297.0737 11.25 1541.5649 1522.4039 1569.4395 1528.0401 1494.3473 1600.3140 11.25_329.0116m/z 329.0116 11.25 358.4972 351.1625 325.4711 330.3509 413.9641 338.7491 11.25_337.0666m/z 337.0666 11.25 208.6810 252.0847 241.4035 242.4148 223.6945 251.9259 11.25_339.0595m/z 339.0595 11.25 360.3925 364.1901 352.8269 359.0235 372.4343 371.0786 11.25_349.0238m/z 349.0238 11.25 163.4561 178.9255 167.0518 163.0800 179.5988 162.0457 11.25_362.9522m/z 362.9522 11.25 434.5709 449.6522 455.7613 452.3984 457.2738 480.8328 11.25_363.0649m/z 363.0649 11.25 217.2181 224.8664 215.4381 213.5185 189.3684 225.6796 11.25_365.0607m/z 365.0607 11.25 508.1830 520.1658 514.7006 544.6663 511.0119 544.0139 11.25_368.9456m/z 368.9456 11.25 95.8676 106.1360 108.2390 106.8013 105.5592 110.6282 11.25_372.9800m/z 372.9800 11.25 170.3454 154.7002 149.5690 185.4148 163.0717 166.1480 11.25_374.9805m/z 374.9805 11.25 307.5862 340.7466 352.7557 358.1193 322.7181 336.5305 11.25_378.0619n 359.0440 11.25 1405.9740 1402.3617 1423.9663 1420.8688 1366.3712 1550.5919 11.25_383.9677n 364.9499 11.25 652.9538 727.8285 724.5297 714.0627 686.5338 747.3589 11.25_385.9652n 366.9473 11.25 535.1643 581.2099 575.9091 590.0112 570.0964 628.6815 11.25_391.0477m/z 391.0477 11.25 293.1961 305.6435 273.5308 297.1994 313.2652 314.0132 11.25_392.0237m/z 392.0237 11.25 93.3482 99.0524 110.7865 107.6779 96.5855 107.6607 11.25_396.1480m/z 396.1480 11.25 98.0938 97.9025 118.4923 107.8739 77.0264 94.7170 11.25_406.0344m/z 406.0344 11.25 275.3918 249.7724 271.6252 255.1948 254.2161 257.4559 11.25_420.0136m/z 420.0136 11.25 227.7213 243.2574 238.8711 230.8776 240.1459 236.0612 11.25_427.0329m/z 427.0329 11.25 446.7590 479.3534 458.7440 441.1401 455.8997 474.0785 11.25_441.0317m/z 441.0317 11.25 123.7937 122.1546 102.4399 100.0056 104.4673 133.3826 11.25_452.9993m/z 452.9993 11.25 109.3166 76.4446 61.6199 46.4510 74.2454 97.0968 11.25_471.1439m/z 471.1439 11.25 108.4665 134.4262 132.2907 116.6365 115.8023 124.2240 11.25_481.1911m/z 481.1911 11.25 1791.8070 1832.3008 1905.7034 1867.2210 1794.8444 1922.2676 C27H32O9 Verrucarin B MEDIUM 11.25_488.9998m/z 488.9998 11.25 223.5714 226.7140 250.8451 202.0131 219.0268 240.0332 11.25_508.8530m/z 508.8530 11.25 179.5084 189.9386 207.0954 203.7749 175.1825 218.2610 11.25_514.8848m/z 514.8848 11.25 123.8077 114.2024 134.0910 134.7901 114.6394 127.8661 11.25_516.8958m/z 516.8958 11.25 103.6327 115.7652 134.0822 110.7949 122.9141 139.0109 11.25_518.8819m/z 518.8819 11.25 158.2443 151.4154 161.9201 154.3884 170.3741 162.4992 11.25_520.8691m/z 520.8691 11.25 121.7519 113.7748 110.0776 135.1750 113.2554 102.7612 11.25_521.2137m/z 521.2137 11.25 42.1571 46.3171 59.6340 55.7704 56.2898 49.8782 11.25_547.1518m/z 547.1518 11.25 64.8065 108.7008 82.9535 72.9180 106.7170 72.1054 11.25_559.0719m/z 559.0719 11.25 128.7433 113.2128 121.8949 114.1549 116.0816 124.5533 11.25_562.1542n 543.1363 11.25 604.3327 608.7244 575.5804 612.5607 604.4315 633.9228 11.25_568.1707n 549.1529 11.25 455.8772 444.5192 475.1505 487.2717 434.6351 419.1201 11.25_576.0668n 557.0489 11.25 232.0549 237.4208 199.9440 219.3290 175.8712 212.6647 11.25_611.1211m/z 611.1211 11.25 192.7953 211.4874 157.8855 186.0522 174.5869 202.8775 11.25_665.2725m/z 665.2725 11.25 140.4829 159.4258 134.9682 155.5965 134.9932 157.4354 11.25_692.9414m/z 692.9414 11.25 148.2947 156.4160 143.9490 174.9458 158.7307 163.6968 11.25_694.9332m/z 694.9332 11.25 140.0396 151.1510 145.6664 148.9106 153.1421 155.0443 11.25_696.9375m/z 696.9375 11.25 226.4619 215.2594 210.1812 243.1904 242.2624 231.6694 11.25_702.9638m/z 702.9638 11.25 140.1250 155.3251 151.2754 157.1357 135.2575 144.0343 11.25_704.9600m/z 704.9600 11.25 142.3630 153.5691 133.3042 162.3052 140.9074 139.8112 11.25_709.9685n 690.9506 11.25 121.9965 157.7036 131.6231 120.5218 146.9737 148.7086 11.26_341.0199m/z 341.0199 11.26 112.3306 135.0569 149.0536 139.7199 122.8299 120.3932 11.26_343.0648m/z 343.0648 11.26 201.2003 189.5101 210.5045 230.6084 193.8407 214.7356 11.26_413.1992m/z 413.1992 11.26 33342.8783 33687.2892 33774.7489 33955.9320 33618.8420 35516.6293 11.26_474.0546n 455.0368 11.26 191.9821 179.0670 145.3687 174.8444 160.0271 156.0211 11.26_510.8443m/z 510.8443 11.26 169.5700 176.1079 178.5128 157.4992 134.9221 171.4415 11.27_195.1388m/z 195.1388 11.27 14.0573 9.0780 9.6591 6.1790 11.7164 10.7869 C12H20O2 "Ethyl 2Z,4E-decadienoic acid" MEDIUM 11.27_337.1420m/z 337.1420 11.27 491.7595 487.7610 514.9430 495.6732 512.5213 558.7551 11.28_300.0156m/z 300.0156 11.28 66.4356 57.6515 65.8228 55.0009 80.2452 41.0911 11.29_167.0857m/z 167.0857 11.29 344.4281 337.8552 335.3853 354.0490 348.6822 362.8705 11.29_242.0897m/z 242.0897 11.29 703.5084 720.2264 714.3139 692.8530 699.7839 712.8415 11.29_309.0737m/z 309.0737 11.29 584.5050 594.3519 582.8600 592.7528 588.9068 609.7184 11.29_310.6566m/z 310.6566 11.29 54.7361 54.4679 62.2217 60.9675 59.3382 48.1732 11.29_371.0439m/z 371.0439 11.29 293.5128 280.9609 270.6495 253.6818 286.2321 305.5020 11.29_377.0592m/z 377.0592 11.29 265.8112 245.4809 230.9761 228.6438 251.4377 243.2261 11.29_622.3197m/z 622.3197 11.29 436.7253 452.8634 476.5462 456.7359 444.4895 506.7990 11.30_162.9821m/z 162.9821 11.30 87.3126 80.0463 86.2293 81.8047 82.4457 92.5507 11.31_347.2429m/z 347.2429 11.31 1187.4709 1183.1541 1218.9029 1198.4286 1193.3755 1232.8349 11.31_775.6786m/z 775.6786 11.31 1186.9212 1169.1266 1199.3580 1170.8282 1122.5244 1211.6974 C15H11I4NO4 Thyroxine Thyroxine HMDB00248 HIGH 11.32_325.2008m/z 325.2008 11.32 1390.9640 1397.3828 1457.1343 1386.1083 1399.7086 1457.3957 11.32_351.1667m/z 351.1667 11.32 140.1570 130.5687 151.4738 156.3323 142.7075 140.4399 11.32_393.1985m/z 393.1985 11.32 235.5794 237.9029 204.6092 224.1890 224.9757 271.1205 11.32_435.1379m/z 435.1379 11.32 253.4563 275.9252 281.9288 272.1333 266.8054 253.0379 11.32_509.2696m/z 509.2696 11.32 119.5879 131.8008 126.3294 120.6214 135.9266 112.6395 11.34_369.1731m/z 369.1731 11.34 44185.0845 44404.4574 45272.0751 47259.8735 46415.7932 48036.9103 11.34_437.1593m/z 437.1593 11.34 1417.6077 1466.2994 1498.6077 1441.0659 1392.6373 1499.1112 11.34_499.1319m/z 499.1319 11.34 314.8443 317.2378 318.5516 359.9443 303.0280 318.1141 11.34_505.1596m/z 505.1596 11.34 181.5602 209.2291 206.8427 198.8025 190.0341 206.7669 11.35_624.3348m/z 624.3348 11.35 203.8840 196.0135 177.2830 177.0331 212.6764 183.0184 11.36_186.1256n 185.1176 11.36 697.5555 700.0212 708.6549 703.7671 725.2938 734.9399 11.36_239.9033m/z 239.9033 11.36 231.9021 212.0708 225.7300 212.9882 219.1388 240.9876 11.37_293.1384m/z 293.1384 11.37 1098.2380 1168.8251 1169.4292 1157.7516 1129.0913 1193.2070 C16H22O5 Mono-2-ethyl-5-hydroxyhexyl phthalate 40321-99-1 MEDIUM 11.37_326.8486m/z 326.8486 11.37 50.5104 43.1287 61.0386 39.5411 50.4985 33.5603 11.37_518.2254m/z 518.2254 11.37 225.9504 257.8552 255.0734 249.2720 267.4006 228.2942 11.37_518.7311m/z 518.7311 11.37 126.6167 107.7130 103.9258 137.0535 118.3006 107.4366 11.39_285.9871m/z 285.9871 11.39 142.7500 167.1811 125.1066 137.6525 159.2929 135.9369 11.39_395.1525m/z 395.1525 11.39 377.0064 388.5015 366.7317 385.8223 388.2214 405.9744 11.39_427.2131m/z 427.2131 11.39 4962.6203 5070.3167 5064.1266 5124.8552 5042.8437 5256.9275 11.39_622.3203m/z 622.3203 11.39 140.5999 132.7074 136.2114 136.9636 137.2922 147.0635 11.40_273.0652m/z 273.0652 11.40 267.0743 253.4047 278.4159 220.2776 258.0808 256.1074 11.40_411.1832m/z 411.1832 11.40 938.9571 980.9598 1001.5217 987.4070 978.4278 1014.7244 11.41_143.1073m/z 143.1073 11.41 246.4276 265.3094 282.6803 241.3133 234.1899 243.6846 C8H16O2 Caprylic acid Caprylic acid HMDB00482 MEDIUM 11.41_306.0606m/z 306.0606 11.41 26.9598 30.5318 30.4061 45.4863 41.5999 35.7901 11.41_640.3308m/z 640.3308 11.41 97.9325 99.8589 103.7088 83.0196 65.5976 74.1902 11.43_333.2032m/z 333.2032 11.43 23.9547 38.3574 28.5084 31.5289 20.5926 23.3784 11.44_247.0967m/z 247.0967 11.44 6349.2061 6460.8504 6404.5558 6357.0400 6332.4249 6626.7936 C14H16O4 Monocyclohexyl phthalate 7517-36-4 HIGH 11.44_315.0841m/z 315.0841 11.44 723.6994 717.6263 712.5575 698.7322 660.3475 717.6616 11.44_385.0917m/z 385.0917 11.44 162.3875 176.6448 167.4418 167.6276 151.3475 180.1318 11.44_97.0660m/z 97.0660 11.44 148.9676 144.8039 137.9873 148.4260 148.9646 144.2915 C6H10O "4-Methyl-3-penten-2-one, 9CI" MEDIUM 11.45_216.9705m/z 216.9705 11.45 132.1988 122.7527 122.0545 124.1813 112.2898 137.8160 11.45_406.1310m/z 406.1310 11.45 120.8164 114.9324 109.7151 129.5635 122.8720 125.7251 11.46_166.9914m/z 166.9914 11.46 201.7316 175.3832 167.5370 142.8914 178.7362 173.3425 11.46_325.2010m/z 325.2010 11.46 5324.1764 5578.5721 5581.4172 5553.5324 5347.4913 5804.0686 11.46_353.2311m/z 353.2311 11.46 262.6846 263.9270 253.9246 253.3580 256.7154 270.4763 11.46_431.1888m/z 431.1888 11.46 31.1462 28.4678 38.2275 38.6592 19.1114 29.5465 11.46_455.1589m/z 455.1589 11.46 219.8668 223.1999 245.4940 234.5573 224.8188 222.8789 11.46_462.1721n 443.1542 11.46 377.4289 425.2201 414.0369 386.8721 381.2272 413.7124 11.46_464.2993m/z 464.2993 11.46 305.3703 292.6522 286.4959 269.0522 323.1313 301.4908 11.47_276.6178m/z 276.6178 11.47 37.1359 35.5838 36.7307 39.0704 35.0793 34.2900 11.47_289.1785m/z 289.1785 11.47 63.7081 62.5581 50.1502 63.6645 68.9436 65.0091 11.47_351.2095m/z 351.2095 11.47 258.7798 256.1753 263.7162 277.8859 243.0310 266.9696 11.47_554.2393m/z 554.2393 11.47 167.5756 147.6827 177.1873 171.8404 141.3260 176.7916 11.48_331.1865m/z 331.1865 11.48 61.0955 84.2788 46.2792 54.8963 40.1409 62.3675 11.50_165.0913m/z 165.0913 11.50 162.5791 179.9611 172.1641 179.4517 181.2456 175.6493 C10H14O2 "2-tert-Butyl-1,4-benzenediol" 78886 MEDIUM 11.50_307.1617m/z 307.1617 11.50 213.3515 198.5902 213.9591 225.0587 212.0474 222.2169 11.51_251.1277m/z 251.1277 11.51 229.3537 232.0674 210.2463 189.6787 222.4023 227.9191 11.51_309.1697m/z 309.1697 11.51 247.4604 248.7106 285.8674 253.7996 281.7952 280.4460 11.52_253.1393m/z 253.1393 11.52 402.5999 427.6019 392.0737 421.5500 381.1622 381.9562 11.52_335.6482m/z 335.6482 11.52 98.0492 86.3348 97.3598 87.5850 89.2242 103.6035 11.53_308.1973n 307.1851 11.53 162.5692 127.4341 146.9362 150.8038 154.2186 151.5712 11.53_457.1537m/z 457.1537 11.53 312.3626 311.5385 363.0402 367.4846 359.3024 367.7095 11.53_462.2776m/z 462.2776 11.53 114.3871 124.4071 139.2407 126.2504 125.7569 118.1871 11.54_325.2006m/z 325.2006 11.54 6404.1009 6280.7062 6259.9507 6195.7459 6378.9342 6328.2841 11.54_393.1930m/z 393.1930 11.54 1597.8439 1554.2292 1565.9700 1525.4588 1528.7406 1589.2037 11.54_455.1595m/z 455.1595 11.54 240.4058 206.6229 227.2965 217.9911 220.9666 227.7962 11.55_398.2037m/z 398.2037 11.55 819.2893 808.4370 801.9461 816.1936 815.7959 808.2781 11.55_435.1560m/z 435.1560 11.55 274.6468 289.6702 303.5706 320.1186 313.2005 297.8787 11.55_481.2328m/z 481.2328 11.55 125.4530 111.7699 138.2287 119.1520 147.0479 129.3042 11.56_262.6199m/z 262.6199 11.56 77.4234 72.8544 68.7478 70.5775 55.8587 77.9633 11.56_293.1385m/z 293.1385 11.56 1387.8382 1418.7963 1374.8800 1409.6339 1293.0533 1388.6961 C16H22O5 Mono-2-ethyl-5-hydroxyhexyl phthalate 40321-99-1 HIGH 11.56_526.2454m/z 526.2454 11.56 788.4442 740.8577 717.3041 742.7748 790.5497 679.5892 11.57_255.1210m/z 255.1210 11.57 104.5574 106.2203 127.1749 122.2864 95.4922 105.0163 11.57_415.2121m/z 415.2121 11.57 589.9144 630.9807 632.3752 636.4947 584.8350 614.4811 C24H32O6 Arenobufagin MEDIUM 11.57_446.2885m/z 446.2885 11.57 139.3650 108.5707 101.1870 104.5439 121.1568 109.0206 11.58_150.9755m/z 150.9755 11.58 157.8682 159.0348 169.4957 153.3407 160.2370 160.4229 11.58_187.1333m/z 187.1333 11.58 297.2413 297.0199 305.9164 300.1391 291.4544 293.1520 11.58_425.1973m/z 425.1973 11.58 269.6950 279.9337 276.3568 294.5163 286.7783 301.7687 11.60_195.1385m/z 195.1385 11.60 286.9308 294.1957 292.2747 273.4356 255.7549 270.4526 C12H20O2 "Ethyl 2Z,4E-decadienoic acid" MEDIUM 11.60_251.1254m/z 251.1254 11.60 164.7479 170.1123 180.5571 153.9862 142.6760 165.0444 11.60_311.6639m/z 311.6639 11.60 34.8387 51.0143 40.2853 42.3884 44.4769 39.2519 11.60_449.2754m/z 449.2754 11.60 150.7960 124.3863 162.3826 134.1787 136.5049 134.5866 11.60_624.3361m/z 624.3361 11.60 884.6244 875.3876 887.1701 878.9640 873.1686 875.1872 11.61_229.1439m/z 229.1439 11.61 534.3373 530.4785 526.7990 518.5517 550.1946 538.9144 C12H22O4 Dodecanedioic acid Dodecanedioic acid HMDB00623 HIGH 11.61_319.1133m/z 319.1133 11.61 42.3334 38.9153 38.8168 28.8585 36.6772 41.9157 11.61_369.2247m/z 369.2247 11.61 4095.6878 3943.9556 4058.0079 4041.6519 3948.9609 4051.7330 C20H34O6 Grayanotoxin III MEDIUM 11.61_495.2219m/z 495.2219 11.61 194.7642 223.0092 201.2089 207.5797 205.8744 229.2077 11.63_241.1438m/z 241.1438 11.63 957.7070 983.6039 958.1594 945.1518 966.8202 971.7560 11.63_331.1762m/z 331.1762 11.63 1443.3431 1422.3101 1442.9481 1369.4065 1333.4234 1427.0345 11.63_464.2998m/z 464.2998 11.63 961.3762 911.4201 923.6202 950.7515 925.5611 965.1911 11.63_511.2503m/z 511.2503 11.63 491.1458 501.9056 480.9941 469.7835 432.3419 439.9371 11.65_162.9817m/z 162.9817 11.65 103.3047 84.7279 100.5516 103.1209 110.8370 103.2171 11.65_263.1258m/z 263.1258 11.65 142.5454 143.2058 145.4570 133.0337 152.1573 146.6210 11.65_398.9351m/z 398.9351 11.65 1628.2163 1632.6001 1663.2319 1748.1729 1679.2723 1672.9609 C6HF13O3S Perfluorohexane sulfonate 355-46-4 HIGH 11.66_183.1386m/z 183.1386 11.66 185.9919 201.2488 199.6283 193.0243 177.2545 185.1623 C11H20O2 Undecylenic acid 35045 MEDIUM 11.66_545.2016m/z 545.2016 11.66 121.5629 106.6371 111.8252 104.1227 80.2604 121.6406 11.67_191.1075m/z 191.1075 11.67 141.8385 123.8811 156.0568 132.9501 150.6155 139.6075 11.67_207.1388m/z 207.1388 11.67 15802.4500 14913.6523 16969.1769 15146.2545 15414.6764 15788.4100 11.67_272.0980m/z 272.0980 11.67 82.9059 72.8054 62.7852 67.5612 77.3574 75.6458 11.67_415.2121m/z 415.2121 11.67 1406.5297 1379.9392 1384.3503 1416.3078 1383.5299 1395.0128 11.67_429.2075m/z 429.2075 11.67 161.7633 153.6211 135.3026 144.8070 157.6914 132.8189 11.67_510.7375m/z 510.7375 11.67 27.6496 23.3011 45.8928 28.8185 27.0512 36.7154 11.68_510.2252m/z 510.2252 11.68 131.2135 125.6218 150.0829 156.9089 158.5304 138.0273 11.69_227.1281m/z 227.1281 11.69 191.7841 178.3198 185.6913 187.9803 180.3255 192.4691 11.69_414.1989m/z 414.1989 11.69 75.7763 92.8796 90.7211 115.8548 91.9631 103.7017 11.70_253.1371m/z 253.1371 11.70 334.0750 320.5328 316.4627 340.7392 322.9102 311.9603 C16H18N2O Elymoclavine HIGH 11.70_371.1885m/z 371.1885 11.70 3337.0456 3387.8036 3414.8935 3508.1726 3438.1414 3565.3327 C22H28O5 Pyrethrum 39098 MEDIUM 11.70_439.1788m/z 439.1788 11.70 184.1490 174.3953 199.7557 203.3310 160.5433 190.2261 11.71_307.1455m/z 307.1455 11.71 83.1307 88.0820 114.1577 82.7767 87.7372 103.9474 11.71_354.2341m/z 354.2341 11.71 63.2043 52.6210 58.2570 54.7607 56.9878 49.5727 11.72_223.0276m/z 223.0276 11.72 484.7028 490.8121 754.5184 640.6032 539.8351 559.4725 11.72_526.2458m/z 526.2458 11.72 516.8726 505.2947 508.3559 545.8037 514.0129 521.2161 11.72_786.3638m/z 786.3638 11.72 239.0826 225.3370 249.1167 214.7488 220.8952 239.8610 11.73_150.9771m/z 150.9771 11.73 119.6479 120.5715 133.9222 106.8103 117.4427 120.0805 11.73_211.1324m/z 211.1324 11.73 225.5760 213.5862 234.2073 205.4937 214.3363 210.9524 C12H22O4 Dodecanedioic acid Dodecanedioic acid HMDB00623 HIGH 11.73_262.6195m/z 262.6195 11.73 110.9017 104.4951 109.9326 111.9922 111.2743 113.4932 11.73_786.8641m/z 786.8641 11.73 150.0265 191.3879 147.1868 178.7471 153.5048 193.0204 11.75_162.9821m/z 162.9821 11.75 107.3233 100.6131 120.2253 102.9069 117.2385 100.3890 11.75_437.1818m/z 437.1818 11.75 265.3185 321.8556 291.7081 304.5067 271.6871 265.1283 11.76_393.2235m/z 393.2235 11.76 469.6656 501.9085 478.1679 497.4289 466.3025 490.9617 11.76_461.2280m/z 461.2280 11.76 164.8095 155.7732 152.7123 147.1063 161.0496 133.7398 11.77_287.1219m/z 287.1219 11.77 54.9889 50.9843 65.4216 31.9946 64.0304 48.2334 11.77_351.2146m/z 351.2146 11.77 1751.1486 1790.8941 1773.5092 1825.2367 1796.4765 1748.3722 11.78_327.6504m/z 327.6504 11.78 302.7371 314.2529 339.6392 297.7436 331.2968 318.3285 11.78_328.1528m/z 328.1528 11.78 143.1896 165.7993 154.6361 151.8537 144.3536 143.9876 11.81_413.1960m/z 413.1960 11.81 227.0746 245.3186 245.7902 231.6856 242.4131 245.8037 11.81_525.2671m/z 525.2671 11.81 184.0193 211.1426 222.0967 191.6169 177.0423 208.0357 11.82_385.1904m/z 385.1904 11.82 348.1697 307.2737 309.8903 269.2941 260.1820 272.6658 11.82_429.1922m/z 429.1922 11.82 321.0589 333.0193 333.3388 331.6514 308.1209 309.4907 11.82_640.3297m/z 640.3297 11.82 203.5491 246.2504 206.6885 207.3933 219.6004 198.3077 11.83_186.9515m/z 186.9515 11.83 91.6293 61.0608 50.3746 60.6412 61.1977 83.1026 11.83_266.9126m/z 266.9126 11.83 182.8066 156.6140 180.1060 168.0463 145.5707 145.0949 11.83_622.3197m/z 622.3197 11.83 425.2404 421.6272 414.2678 425.1976 430.3277 421.6033 11.83_644.2993m/z 644.2993 11.83 49.5467 66.5092 54.1507 51.3114 46.8342 38.3067 11.84_262.6194m/z 262.6194 11.84 229.8931 263.5299 243.7356 260.6968 251.6232 266.0527 11.84_263.1228m/z 263.1228 11.84 133.7985 151.9416 114.6741 117.0105 117.3525 118.1334 11.84_310.6571m/z 310.6571 11.84 68.8252 83.4454 92.3405 77.2173 71.4015 88.5755 11.84_526.2476m/z 526.2476 11.84 1140.1774 1178.5226 1153.6280 1164.0099 1110.4349 1191.0578 11.87_463.2284m/z 463.2284 11.87 159.8114 142.3405 161.2952 164.2333 147.2528 151.9374 11.88_325.1543m/z 325.1543 11.88 241.3786 227.4418 231.9138 219.9337 273.3961 230.5124 11.88_398.1710m/z 398.1710 11.88 91.4159 94.8506 117.5115 120.3938 115.4521 138.6700 11.89_195.1383m/z 195.1383 11.89 1288.2145 1288.6882 1294.9447 1238.9514 1208.7176 1346.5418 C12H20O2 "Ethyl 2Z,4E-decadienoic acid" MEDIUM 11.89_239.1271m/z 239.1271 11.89 636.9767 621.3647 667.1840 613.3527 597.5200 685.1108 11.89_241.1428m/z 241.1428 11.89 184.1475 198.1673 189.5780 177.7082 198.4532 206.0892 11.89_307.1202m/z 307.1202 11.89 130.0850 124.1016 108.9320 108.7854 119.0571 99.4448 C16H20O6 Mono-2-(carboxymethyl) hexyl phthalate 82975-93-7 HIGH 11.89_353.2298m/z 353.2298 11.89 547.5811 541.4337 514.6817 570.7759 544.2125 578.5816 11.89_479.2259m/z 479.2259 11.89 195.5071 186.7805 187.1795 206.1644 187.6754 215.7602 11.90_525.2626m/z 525.2626 11.90 106.7035 90.0415 100.3347 86.1782 111.8516 92.4296 11.91_374.2433m/z 374.2433 11.91 20905.1111 21988.0144 20956.2141 19334.8931 21889.5132 27972.4233 11.91_410.2186m/z 410.2186 11.91 732.5047 811.1448 773.4071 737.7563 763.9632 1039.3126 11.91_420.2479m/z 420.2479 11.91 4207.4805 4379.3963 4125.3006 3931.7095 4474.5176 5523.8030 11.92_469.2223m/z 469.2223 11.92 1900.0063 1875.3731 1937.6991 1921.9459 1931.6114 1944.9041 11.92_491.2058m/z 491.2058 11.92 74.9489 76.9908 78.9680 85.3911 75.9625 65.5772 11.93_263.6273m/z 263.6273 11.93 137.6337 134.2590 126.2598 125.7873 150.4196 142.0185 11.93_327.2145m/z 327.2145 11.93 177.9469 189.7504 169.0511 198.5164 174.1493 199.6781 11.93_613.3565m/z 613.3565 11.93 421.3312 398.9017 426.6063 410.0729 406.2795 418.0227 11.94_253.1428m/z 253.1428 11.94 141.1053 149.8367 160.2704 157.0161 147.2689 142.0964 11.94_256.1894m/z 256.1894 11.94 80.8510 66.7239 58.8185 53.0571 63.5925 77.4205 11.94_264.1285m/z 264.1285 11.94 48.5375 48.4309 37.0855 40.8357 45.6230 52.9912 11.94_321.1690m/z 321.1690 11.94 152.0642 145.6097 165.0905 144.4008 151.2953 149.7279 C18H26O5 Zeranol MEDIUM 11.94_529.2570m/z 529.2570 11.94 158.8952 172.5515 187.3060 163.8790 220.1850 167.5723 11.95_150.9594m/z 150.9594 11.95 149.8935 138.0556 160.3792 148.1990 146.4067 157.3707 11.95_410.1650m/z 410.1650 11.95 303.0760 254.7754 241.2650 262.8316 324.6288 249.0569 11.95_551.2992m/z 551.2992 11.95 288.7379 301.6437 320.3385 261.9043 285.4404 253.7250 11.98_349.1840m/z 349.1840 11.98 970.0453 924.9539 932.8483 927.9604 937.3904 945.9723 11.98_515.2832m/z 515.2832 11.98 517.5202 564.2612 557.4001 583.9961 514.8978 563.1914 11.98_702.2454m/z 702.2454 11.98 80.9660 71.8522 65.2080 95.8041 69.0866 47.5691 11.98_702.7474m/z 702.7474 11.98 74.1553 52.7183 54.2643 49.6442 46.8970 35.6325 11.99_237.1501m/z 237.1501 11.99 115.2664 119.9878 146.7992 115.2136 123.2434 133.7062 11.99_335.2181m/z 335.2181 11.99 29.8657 46.6471 40.3827 40.6053 30.5524 37.5630 11.99_496.2678m/z 496.2678 11.99 131.5400 118.1770 126.6958 91.3739 112.0028 99.8163 12.00_498.2863m/z 498.2863 12.00 611.2706 619.1853 617.7137 652.6994 562.4723 624.9883 12.00_514.2782m/z 514.2782 12.00 206.5537 205.0904 223.7018 217.7292 204.4412 193.3312 12.00_567.3092m/z 567.3092 12.00 114.6153 136.0853 95.7699 131.8162 101.9324 98.7224 12.01_309.1718m/z 309.1718 12.01 2797.1984 2652.3535 2836.5315 2629.6624 2690.1946 2929.9709 12.01_377.1610m/z 377.1610 12.01 223.1387 241.2855 239.9989 250.0524 245.4343 241.3085 12.02_209.1538m/z 209.1538 12.02 249.2018 258.2421 286.3966 272.1463 268.6075 295.6378 C13H22O2 Isobornyl propionate MEDIUM 12.02_434.2183m/z 434.2183 12.02 4416.1023 4357.4166 4332.2136 4331.5187 4292.0700 4424.1167 12.02_456.1986m/z 456.1986 12.02 1042.8551 1078.3119 1098.9048 1097.0261 1124.9755 1066.9180 12.02_467.2612m/z 467.2612 12.02 306.1686 305.1689 350.9591 326.8262 261.9171 306.5086 12.02_537.1845n 518.1666 12.02 243.6819 239.6518 234.8820 257.0815 219.5280 243.6509 12.02_543.1880n 524.1701 12.02 380.5665 397.3867 394.6606 382.8496 295.1801 374.6248 12.03_216.9695m/z 216.9695 12.03 165.4159 158.5354 166.0775 168.0922 165.6261 175.5555 12.03_277.1804m/z 277.1804 12.03 309.0055 280.7768 334.2791 297.8874 287.1272 327.1037 12.03_329.2327m/z 329.2327 12.03 16993.8651 16952.9704 17613.4565 16963.6303 16599.3979 17726.7661 12.03_387.1941m/z 387.1941 12.03 184.4688 176.6068 185.9157 202.3184 180.3375 185.6303 12.03_389.1890m/z 389.1890 12.03 60.8061 66.1028 49.5211 66.9845 68.2738 60.7649 12.03_413.1841m/z 413.1841 12.03 333.2150 331.6113 325.1528 333.8484 323.8098 327.1842 12.03_445.1927m/z 445.1927 12.03 299.2098 309.4753 324.1089 306.7126 295.1026 309.0193 12.03_459.1874m/z 459.1874 12.03 289.9105 301.1914 325.0380 322.0071 295.2883 316.9067 12.03_463.0999m/z 463.0999 12.03 168.6529 178.3710 165.1887 182.6304 163.2298 176.9241 12.03_474.1536m/z 474.1536 12.03 269.0487 274.1884 238.3781 270.6909 236.4244 252.4249 12.03_493.2298m/z 493.2298 12.03 371.9754 393.0420 394.6616 381.7378 367.6833 374.6499 12.03_532.1170m/z 532.1170 12.03 52.2588 57.3023 56.4983 72.6691 65.7090 55.0397 12.03_534.1181m/z 534.1181 12.03 78.8062 62.1687 74.7565 63.3550 62.2840 55.4385 12.04_168.9758m/z 168.9758 12.04 80.3906 76.8641 84.2265 74.9082 79.6713 80.1071 12.04_427.1296m/z 427.1296 12.04 591.6043 635.8508 634.7464 617.5755 641.8690 659.9374 12.04_427.2122m/z 427.2122 12.04 1070.7601 982.9371 1079.9727 1079.2134 988.5550 1097.2989 12.04_429.1270m/z 429.1270 12.04 1108.0593 1126.7305 1137.9094 1179.6421 1109.3201 1221.5633 12.04_545.1382m/z 545.1382 12.04 318.5503 350.0700 358.2940 349.5535 303.3807 309.9086 12.05_351.2122m/z 351.2122 12.05 1257.3432 1221.8448 1309.3088 1268.5850 1275.8819 1259.9128 12.05_369.1727m/z 369.1727 12.05 120353.5542 119469.0266 121875.9131 124522.7077 121946.6505 126237.2120 12.05_437.1601m/z 437.1601 12.05 5167.2535 5009.6965 5198.9169 5217.1283 5009.5359 5162.4391 12.05_454.1482m/z 454.1482 12.05 169.3581 220.9720 199.6149 221.6074 175.7897 225.6295 12.05_477.1526m/z 477.1526 12.05 165.0938 177.1922 204.9045 207.7523 177.4337 187.9820 12.05_483.1563m/z 483.1563 12.05 338.0793 303.3027 366.9970 370.0411 364.5334 341.5490 12.05_518.1485n 499.1307 12.05 1037.4334 1065.7224 1050.2848 1034.3426 1017.5027 1016.3341 12.05_524.1661n 505.1482 12.05 1025.5680 948.6744 987.2883 977.7957 934.0602 973.0957 12.05_567.1162m/z 567.1162 12.05 279.5712 299.5702 322.4159 300.9303 305.5104 270.2372 12.05_761.3350m/z 761.3350 12.05 541.7322 568.9322 574.9690 586.0083 554.8443 576.0316 12.06_333.2047m/z 333.2047 12.06 220.1565 230.7936 239.8110 240.2643 234.0535 232.3801 C20H32O5 Grayanotoxin II Grayanotoxin II MEDIUM 12.06_409.1496m/z 409.1496 12.06 165.0922 159.6549 165.0302 144.1959 160.5308 172.2669 12.06_479.1505m/z 479.1505 12.06 112.8876 113.8966 109.2811 115.3791 104.6051 138.9899 12.06_573.1259m/z 573.1259 12.06 263.1342 280.9368 273.2427 261.5663 270.3066 239.3026 12.07_220.1464m/z 220.1464 12.07 452.0600 396.9840 429.7814 409.1245 449.5777 426.8036 12.07_221.1540m/z 221.1540 12.07 2596.8517 2458.1126 2598.5952 2603.4102 2668.9363 2830.3537 12.07_236.1049m/z 236.1049 12.07 3292.1359 3100.0732 3275.3949 3257.7273 3300.0840 3622.2845 12.07_293.1754m/z 293.1754 12.07 4183.6129 4052.3035 4246.0453 4326.4144 4201.3759 4775.5991 C17H26O4 6-Gingerol HIGH 12.07_357.1524m/z 357.1524 12.07 174.4212 150.6560 145.8322 154.2376 143.3849 160.0939 12.07_361.1617m/z 361.1617 12.07 702.7836 676.0053 715.6541 711.9981 701.3665 762.1444 12.07_383.1484m/z 383.1484 12.07 335.1518 341.6084 358.6370 377.6933 351.7526 395.0024 12.07_410.1613m/z 410.1613 12.07 304.1425 331.7818 328.5685 327.2802 347.3806 322.8529 12.07_417.2085m/z 417.2085 12.07 1484.4331 1470.9935 1525.1490 1484.3297 1469.6175 1512.7080 12.07_423.1327m/z 423.1327 12.07 262.9212 233.0331 240.6341 275.7955 213.1844 284.0605 12.07_487.1893m/z 487.1893 12.07 141.1617 142.2574 153.3661 133.5497 132.4933 141.6823 12.08_208.1150m/z 208.1150 12.08 228.8628 220.5189 237.8473 211.5263 181.0268 176.2758 12.08_442.2117m/z 442.2117 12.08 83.5090 114.4941 84.1166 86.1200 72.0129 80.1721 12.08_551.2991m/z 551.2991 12.08 258.0794 276.2117 276.7627 272.7962 272.1611 284.4453 12.08_583.3075m/z 583.3075 12.08 301.3337 312.9835 372.9300 317.0213 317.6623 343.4268 12.09_397.2046m/z 397.2046 12.09 65060.0008 64510.7235 66101.3400 68638.3467 66104.3435 67494.3567 C24H32O6 Arenobufagin MEDIUM 12.09_455.1617m/z 455.1617 12.09 201.9329 188.1625 187.2181 178.5793 194.5689 171.3446 12.09_527.1697m/z 527.1697 12.09 236.9748 242.7870 252.6770 248.0859 210.1342 233.7893 12.10_187.1335m/z 187.1335 12.10 735.0216 728.3105 730.7640 701.3851 701.9539 749.1276 12.11_141.1281m/z 141.1281 12.11 64.6757 58.5331 68.5284 63.6477 53.0925 62.1998 C9H18O "2,6-Dimethyl-4-heptanone" MEDIUM 12.11_172.9665m/z 172.9665 12.11 97.6858 88.3648 103.4746 97.6187 91.8672 96.7268 12.11_263.6270m/z 263.6270 12.11 100.9555 101.7518 91.8105 95.7507 84.1992 109.7338 12.11_264.1292m/z 264.1292 12.11 33.8560 32.8888 20.3454 38.6901 30.1842 15.0132 12.11_302.6596m/z 302.6596 12.11 543.5627 532.5832 545.0474 520.4358 547.8113 553.0101 12.11_303.1605m/z 303.1605 12.11 220.5745 212.6013 216.9120 210.7447 217.1539 216.8938 12.11_336.6536m/z 336.6536 12.11 68.7852 76.8813 81.7512 90.6921 95.8129 69.3953 12.11_491.2203m/z 491.2203 12.11 280.5529 236.2994 238.2848 261.1538 283.6707 220.2368 12.11_606.3253m/z 606.3253 12.11 871.5810 828.3070 846.3927 850.2673 803.5383 879.7014 12.12_329.2327m/z 329.2327 12.12 16519.1207 16013.7867 16727.9158 16002.2198 16490.8020 16600.2601 12.12_335.1571m/z 335.1571 12.12 238.4068 240.5629 244.9997 237.0405 235.3968 241.0474 12.12_387.1906m/z 387.1906 12.12 166.1565 154.3230 159.8843 137.1028 175.7554 161.9172 12.12_389.1873m/z 389.1873 12.12 65.8591 84.9683 79.7223 103.0617 81.8957 83.6575 12.12_393.2096m/z 393.2096 12.12 917.3154 956.7034 953.3264 943.4913 953.7584 1022.2950 12.12_419.2014m/z 419.2014 12.12 631.5018 657.1361 648.6992 621.2029 656.8648 666.4690 12.12_432.2024n 413.1845 12.12 757.1833 730.9133 770.0436 745.0980 811.4268 798.7874 12.12_445.1998m/z 445.1998 12.12 267.0602 270.0931 257.8927 271.9835 288.6602 298.6965 12.12_459.1902m/z 459.1902 12.12 283.7276 241.9506 246.1492 227.8309 320.4558 261.1752 12.12_474.1525m/z 474.1525 12.12 272.1715 294.4318 246.0618 272.7592 276.7283 271.2393 12.12_481.1704m/z 481.1704 12.12 218.1080 237.1985 257.8274 214.5447 250.2664 293.3385 12.12_528.2555m/z 528.2555 12.12 616.5477 576.5453 580.6221 556.2681 597.8333 571.0897 12.14_150.9768m/z 150.9768 12.14 132.2330 107.7627 128.6611 112.1795 116.4056 129.9055 12.14_327.2131m/z 327.2131 12.14 151.7256 146.0029 144.4858 134.9188 140.7966 141.1140 12.14_428.1445m/z 428.1445 12.14 93.5474 64.0126 73.1093 49.1748 79.2784 53.0502 12.14_497.2704m/z 497.2704 12.14 610.3793 594.1795 587.3479 565.3461 609.2854 582.0512 12.15_282.6274m/z 282.6274 12.15 97.1576 85.8044 78.0365 85.0188 87.1542 89.3372 12.15_566.2587m/z 566.2587 12.15 376.4173 363.8078 342.3543 338.8976 378.7612 367.5975 12.16_279.1231m/z 279.1231 12.16 286.6319 273.7679 279.0211 263.0662 266.3538 288.3462 12.16_512.2576m/z 512.2576 12.16 92.5290 84.1606 73.9893 98.3639 83.0171 71.2834 12.16_627.3699m/z 627.3699 12.16 183.6059 175.6794 171.8270 158.6767 178.3708 162.2484 12.17_448.3057m/z 448.3057 12.17 8900.3362 8908.5967 9003.1973 9039.7562 9075.1572 9131.5818 12.17_516.2916m/z 516.2916 12.17 768.4239 758.4281 752.9509 740.6838 766.6878 722.1150 12.17_548.2194m/z 548.2194 12.17 175.3138 199.1574 174.4558 141.7241 210.8978 139.6108 12.17_557.2905n 538.2726 12.17 273.0041 287.7172 266.1056 273.6393 284.6290 266.6487 12.17_578.2628m/z 578.2628 12.17 275.4710 253.2721 255.7709 233.3527 280.6325 300.5947 12.18_402.1881m/z 402.1881 12.18 148.5056 152.7032 188.4206 189.9037 159.1403 171.5448 12.18_600.2379m/z 600.2379 12.18 428.8961 414.7149 411.3999 473.0988 472.4377 369.9828 12.19_194.0818m/z 194.0818 12.19 1983.8462 1875.6903 2107.7437 1876.3038 1962.5766 1969.8404 12.19_201.1498m/z 201.1498 12.19 69.3258 78.2382 66.3891 69.6565 68.9358 84.5063 12.19_227.1285m/z 227.1285 12.19 558.6121 584.0090 584.6745 557.6958 569.3435 575.0725 12.19_265.1421m/z 265.1421 12.19 502.8776 494.5183 512.2566 487.3785 495.1772 486.9512 C15H22O4 Verrucarol MEDIUM 12.19_309.1771m/z 309.1771 12.19 1459.9710 1389.7780 1407.4699 1370.3464 1505.8622 1573.8094 12.19_465.2255m/z 465.2255 12.19 4287.9705 4148.0806 4302.0810 4390.6178 4272.9549 4347.1169 12.19_533.2068m/z 533.2068 12.19 655.1615 650.8722 640.5729 671.8460 658.1582 624.1868 12.20_287.1332m/z 287.1332 12.20 115.6777 93.4684 84.8362 90.4910 89.3688 103.0516 12.20_361.1619m/z 361.1619 12.20 551.0199 509.2379 562.6535 517.7835 527.8027 528.4772 12.20_383.1473m/z 383.1473 12.20 194.4067 180.3612 197.5329 207.4844 211.2977 172.4975 12.20_431.0383m/z 431.0383 12.20 218.8856 195.3220 247.2225 204.8312 195.1516 208.2045 12.20_464.2989m/z 464.2989 12.20 735.2004 733.3363 709.5072 737.3461 746.5716 739.3332 12.20_469.2232m/z 469.2232 12.20 3737.1158 3622.2318 3635.5254 3556.2082 3815.1598 3633.9101 12.20_532.2742m/z 532.2742 12.20 115.5681 97.8778 115.1572 113.8583 126.9988 103.2077 12.21_193.1593m/z 193.1593 12.21 613.4335 589.9181 666.7464 566.3333 621.3525 609.1577 12.21_243.1590m/z 243.1590 12.21 175.6961 168.1234 158.5058 174.7843 158.9548 159.8562 C13H24O4 "1,11-Undecanedicarboxylic acid" Tridecanedioic acid HMDB02327 MEDIUM 12.21_249.1853m/z 249.1853 12.21 598.9650 523.4590 578.6554 535.4641 557.3145 558.6634 12.21_293.1753m/z 293.1753 12.21 10040.5972 9240.2171 10492.1172 9501.7541 9654.8415 9993.8740 C17H26O4 6-Gingerol MEDIUM 12.21_423.1324m/z 423.1324 12.21 301.6196 256.6486 278.2712 272.6354 310.5118 264.1978 12.21_429.0394m/z 429.0394 12.21 227.8347 232.4840 225.1651 220.2926 247.9730 204.9230 12.21_429.1445m/z 429.1445 12.21 395.0666 359.0386 432.0802 391.5954 399.0217 401.3062 12.21_457.1543m/z 457.1543 12.21 263.8254 328.6944 350.1814 373.5132 352.3402 381.0209 12.21_491.1458m/z 491.1458 12.21 239.9201 274.1268 256.7792 252.6612 243.3828 215.4000 12.21_513.2683m/z 513.2683 12.21 653.6859 671.8701 656.1588 673.3621 642.1347 656.1702 12.22_162.9817m/z 162.9817 12.22 256.7276 260.9183 248.2223 266.6049 235.2387 309.7227 12.22_279.6136m/z 279.6136 12.22 6425.6854 6407.7724 6630.4415 6455.7516 6635.3524 6648.9935 12.22_280.1153m/z 280.1153 12.22 1568.2394 1468.5849 1613.4814 1524.8334 1554.4811 1682.5125 C10H17N7O4 Saxitoxin Saxitoxin 610951 MEDIUM 12.22_377.2188m/z 377.2188 12.22 367.4927 326.5530 328.2292 377.9411 349.9419 364.3521 12.22_462.2657m/z 462.2657 12.22 407.4046 436.4078 444.9222 456.3452 462.2642 443.7573 12.22_587.3207m/z 587.3207 12.22 248.0827 199.9723 209.0463 223.6282 211.0979 163.0557 12.23_321.1464m/z 321.1464 12.23 205.8455 244.3775 224.6622 230.9989 240.6735 252.6627 12.24_255.1591m/z 255.1591 12.24 250.4985 243.7043 244.1462 244.7233 272.6929 253.2940 12.24_411.1826m/z 411.1826 12.24 128.7893 149.0241 137.5671 130.7842 163.5517 152.4711 12.24_495.2558m/z 495.2558 12.24 428.0988 444.7980 448.2196 437.3933 438.4083 434.1095 12.25_369.2267m/z 369.2267 12.25 569.7734 505.8215 584.5757 568.0848 521.0558 562.0570 C20H34O6 Grayanotoxin III MEDIUM 12.25_413.1940m/z 413.1940 12.25 596.0185 607.3974 589.1984 541.6459 594.6893 599.2135 12.25_599.3118m/z 599.3118 12.25 151.1916 132.5246 117.4781 137.5984 136.8196 136.2272 12.26_208.1418m/z 208.1418 12.26 34.0017 18.6322 14.8288 17.0010 13.9968 17.5022 12.26_294.9266m/z 294.9266 12.26 88.5489 54.4926 77.1525 75.8827 72.6508 60.0532 12.26_446.2876m/z 446.2876 12.26 357.9909 333.7142 326.7729 301.8402 342.8842 332.3298 12.26_629.3506m/z 629.3506 12.26 373.9013 361.9530 357.2210 334.4193 343.5334 320.8039 12.27_327.2138m/z 327.2138 12.27 261.7109 261.2484 271.2078 256.0550 278.0761 304.9757 12.28_438.2128m/z 438.2128 12.28 121.8485 153.4304 145.8893 138.5879 94.6847 140.9432 12.28_493.2375m/z 493.2375 12.28 76.6675 67.2941 71.4040 59.7528 95.1193 85.1182 12.29_224.9636m/z 224.9636 12.29 32.5997 38.3568 45.0241 46.7078 18.1020 51.7780 12.29_412.2081m/z 412.2081 12.29 155.0500 138.6913 130.5804 118.4404 153.5517 136.7158 12.30_168.9756m/z 168.9756 12.30 125.8796 118.3593 114.9704 112.1736 122.0291 126.2452 12.30_353.2301m/z 353.2301 12.30 702.4809 698.9192 720.6999 724.0612 718.5152 731.5789 12.31_329.2326m/z 329.2326 12.31 11265.2964 10811.2832 10942.5950 10628.6682 11093.2088 11212.7888 12.31_373.1950m/z 373.1950 12.31 781.0466 739.5694 710.8601 735.2707 744.0823 761.3542 12.31_427.1275m/z 427.1275 12.31 299.5655 268.6649 264.9099 263.7099 338.3768 262.3000 12.31_507.2171m/z 507.2171 12.31 377.8789 387.4642 366.2294 405.9517 391.6300 376.0123 12.32_216.9716m/z 216.9716 12.32 149.5157 124.4853 146.4520 139.3479 153.4481 144.5717 12.32_583.3059m/z 583.3059 12.32 168.9752 168.7275 193.3048 169.6127 199.8018 183.7596 12.33_269.1598m/z 269.1598 12.33 103.5127 115.6923 70.0775 86.6114 87.5143 97.1099 12.33_344.1562m/z 344.1562 12.33 197.1882 191.4269 228.1193 211.9835 189.9721 198.7694 12.33_344.6563m/z 344.6563 12.33 43.8158 33.4711 35.6117 52.9024 60.7386 16.3766 12.33_393.2132m/z 393.2132 12.33 497.8813 495.3988 461.0866 478.1542 505.2756 495.4524 12.33_430.1463m/z 430.1463 12.33 42.6987 31.4136 17.2715 38.3410 40.4857 11.3764 12.33_455.2264m/z 455.2264 12.33 1351.9144 1366.2034 1357.0286 1382.8445 1469.7439 1475.4210 12.33_471.2358m/z 471.2358 12.33 330.0708 379.8359 358.4531 343.4530 366.6854 351.5918 12.33_477.2030m/z 477.2030 12.33 359.1736 341.5840 347.1590 313.3407 357.1169 349.8669 12.33_566.2435m/z 566.2435 12.33 166.9432 176.0555 97.9926 146.3452 170.6060 134.8932 12.34_239.9036m/z 239.9036 12.34 188.9687 167.3658 187.8986 172.8837 158.1239 171.1002 12.34_253.1431m/z 253.1431 12.34 245.8492 259.9041 261.6611 263.1384 253.3874 253.6125 12.34_313.1223m/z 313.1223 12.34 542.3261 517.7483 544.9040 527.3286 574.7795 552.5533 12.36_243.1597m/z 243.1597 12.36 664.9279 617.7356 640.9153 611.5207 630.0669 673.8462 C13H24O4 "1,11-Undecanedicarboxylic acid" Tridecanedioic acid HMDB02327 HIGH 12.36_295.1541m/z 295.1541 12.36 250.2568 257.1814 259.6400 267.3582 261.8157 268.2551 12.36_311.2175m/z 311.2175 12.36 222.9102 185.0245 176.5764 175.8605 180.6003 168.3100 12.36_337.1466m/z 337.1466 12.36 52.6736 16.6040 50.2207 47.6367 43.2813 26.9877 12.36_415.2121m/z 415.2121 12.36 805.4713 830.8657 816.9834 794.0974 833.1265 814.7961 12.37_395.1890m/z 395.1890 12.37 9585.2789 9603.8950 9690.3206 10850.9644 10322.4373 9840.6343 12.37_463.1802m/z 463.1802 12.37 509.1257 460.9296 474.9995 548.2489 502.8178 523.9759 12.39_315.1944m/z 315.1944 12.39 260.0299 252.2645 250.0830 252.3208 267.7580 260.5262 12.39_385.2348m/z 385.2348 12.39 1106.7165 1150.0315 1096.9765 1122.9656 1110.5565 1157.2951 C24H36O5 Lovastatin Lovastatin 40303 MEDIUM 12.39_537.3203m/z 537.3203 12.39 322.3143 328.5041 336.3951 363.4549 330.6345 354.9674 12.39_547.2199m/z 547.2199 12.39 88.1766 112.6702 106.1231 105.3619 113.8493 111.3741 12.39_568.2566m/z 568.2566 12.39 135.9722 139.4799 141.1614 170.4138 165.5312 154.5796 12.40_254.6223m/z 254.6223 12.40 106.5426 105.8958 95.9078 90.6457 102.9651 100.8838 12.40_399.2152m/z 399.2152 12.40 10175.7026 10165.6735 10306.8744 10759.0567 10510.7326 10807.5640 12.40_448.3016m/z 448.3016 12.40 62.9855 61.6746 33.5943 64.3845 53.5926 42.0847 12.40_465.2476m/z 465.2476 12.40 3475.9843 3480.5787 3420.6823 3521.4542 3493.4235 3558.5262 12.40_512.2604m/z 512.2604 12.40 161.8358 162.9083 139.8775 162.5151 115.0449 100.4996 12.40_527.2795m/z 527.2795 12.40 174.7947 175.8172 162.4128 156.9812 161.1938 160.5818 12.41_226.9624m/z 226.9624 12.41 172.7460 169.5570 164.1766 196.2597 169.0991 169.1086 12.41_288.6190m/z 288.6190 12.41 2073.3897 2031.6786 2079.9904 2057.8326 2112.8285 2083.6335 12.41_327.2075m/z 327.2075 12.41 340.4184 359.3963 361.6857 358.0153 364.5496 375.2069 12.41_533.2331m/z 533.2331 12.41 320.4231 349.8394 330.7122 334.9357 356.8969 352.3035 12.41_600.2277m/z 600.2277 12.41 479.6498 449.7502 452.1353 441.8161 425.4124 421.5040 12.41_631.2385m/z 631.2385 12.41 779.2268 809.1355 809.4415 872.2035 771.6808 871.3351 12.41_653.2179m/z 653.2179 12.41 153.5851 132.2241 121.9941 185.8979 132.8779 168.9620 12.42_321.1467m/z 321.1467 12.42 448.5989 461.9305 452.7197 443.8863 483.9360 477.6644 12.42_539.2481m/z 539.2481 12.42 1875.2152 1927.2663 1938.8023 1944.3367 1926.8056 1965.8879 12.42_561.2292m/z 561.2292 12.42 337.8165 361.6224 333.6098 358.5931 331.5408 363.0413 12.42_579.2718m/z 579.2718 12.42 99.9051 85.9216 88.6360 87.5519 87.8821 58.0057 12.43_309.1716m/z 309.1716 12.43 1408.8579 1371.0712 1413.6080 1413.6607 1502.1069 1629.6604 12.43_325.1944m/z 325.1944 12.43 282.4068 295.5569 281.3671 296.8325 324.2344 319.4783 12.43_327.1663m/z 327.1663 12.43 154.5045 156.7705 135.9213 125.6860 162.6675 149.5019 12.43_423.1699m/z 423.1699 12.43 379.9836 401.2916 383.3241 377.8422 399.4981 390.2090 12.43_603.2188m/z 603.2188 12.43 206.9177 217.9368 198.3732 184.4216 182.2052 162.6510 12.43_605.2787m/z 605.2787 12.43 173.2841 170.6615 167.9321 194.9773 177.4665 144.1838 12.44_263.1645m/z 263.1645 12.44 209.4498 206.1397 217.1910 193.0547 183.3358 212.7512 12.44_581.2383m/z 581.2383 12.44 933.2437 942.7645 901.2141 786.9611 818.7441 746.0427 12.44_583.3023m/z 583.3023 12.44 1378.7620 1342.7159 1391.7402 1316.7776 1345.9604 1322.0574 12.44_643.2932m/z 643.2932 12.44 320.0122 277.4720 271.7105 245.8062 257.0690 229.6493 12.44_783.2703m/z 783.2703 12.44 70.3267 112.4523 77.5267 73.1387 69.8117 33.6221 12.45_255.1590m/z 255.1590 12.45 752.1162 753.8867 729.3958 745.0854 733.0284 765.9153 12.45_357.2053m/z 357.2053 12.45 251.2874 245.4173 225.4972 255.4997 249.4034 258.4335 12.45_371.1887m/z 371.1887 12.45 5815.0469 5768.4930 5857.1625 5968.2298 5925.9437 6045.8187 12.45_439.1745m/z 439.1745 12.45 194.0211 191.3101 175.1626 166.3658 185.5355 173.4906 12.45_478.1929m/z 478.1929 12.45 126.8197 143.0896 91.0196 127.9804 104.5447 116.7451 12.46_172.9667m/z 172.9667 12.46 217.8057 219.8262 227.5320 204.8749 204.6284 228.3215 12.46_277.1433m/z 277.1433 12.46 135.0658 148.8500 137.3927 157.2538 156.8011 157.5970 12.47_333.2059m/z 333.2059 12.47 3124.2127 3080.4914 3100.9885 3058.2744 3051.2954 3183.7952 C20H32O5 Grayanotoxin II Grayanotoxin II MEDIUM 12.47_472.2310n 471.1687 12.47 237.3841 327.7388 308.6213 372.7338 278.0413 394.8973 12.48_144.9035m/z 144.9035 12.48 91.6178 86.7040 82.8954 87.7788 80.4802 104.7289 12.48_297.1508m/z 297.1508 12.48 1749.5102 1702.4281 1854.9322 1770.0603 1895.2692 2043.0419 12.48_426.9679m/z 426.9679 12.48 478.1455 186.0012 408.8636 348.7304 273.4242 432.9571 12.48_455.2255m/z 455.2255 12.48 161.7356 179.8176 213.7818 197.0106 193.3787 227.4144 12.48_477.2025m/z 477.2025 12.48 24.4334 38.6839 27.6588 47.8188 42.0753 8.6924 12.48_496.2705m/z 496.2705 12.48 801.3228 759.3518 825.3372 820.4352 765.0196 716.5545 12.49_405.2616m/z 405.2616 12.49 281.5473 267.9545 285.3368 267.9089 276.9196 324.4385 12.50_377.2252m/z 377.2252 12.50 249.3604 258.1130 242.5840 237.3299 248.8894 259.6378 12.50_523.3074m/z 523.3074 12.50 139.5000 141.5993 160.3153 144.8233 146.8111 107.2877 12.50_702.7507m/z 702.7507 12.50 186.5015 214.3102 226.3792 215.2533 170.4053 174.2880 12.51_213.1491m/z 213.1491 12.51 268.1806 259.2267 264.6920 252.8891 273.5154 270.0398 12.51_313.1677m/z 313.1677 12.51 64.6591 45.4215 37.7680 64.8155 55.3554 41.1766 12.51_471.2398m/z 471.2398 12.51 1597.7202 1588.4363 1570.6424 1487.0990 1566.8504 1542.1852 12.51_702.2478m/z 702.2478 12.51 347.7535 348.3227 381.2741 410.0245 361.0686 296.4533 12.52_366.8990m/z 366.8990 12.52 917.8109 943.3219 944.3413 1019.8319 940.1516 937.9598 12.52_368.8972m/z 368.8972 12.52 997.5178 983.8326 990.6110 1089.4596 1019.0134 1005.9300 12.52_370.8928m/z 370.8928 12.52 352.1895 369.1447 342.4073 368.2088 380.2115 367.6872 12.53_295.1138m/z 295.1138 12.53 335.4431 365.8492 348.3931 321.8544 340.9648 365.4343 12.54_227.1646m/z 227.1646 12.54 302.3505 286.2371 293.7817 290.8318 283.8285 301.9043 12.54_313.2297m/z 313.2297 12.54 158.1795 156.8629 140.0343 152.8544 173.5378 179.1825 12.54_375.1887m/z 375.1887 12.54 262.6714 224.8036 215.9638 226.1735 204.1074 221.4615 12.54_625.3537m/z 625.3537 12.54 154.6175 180.8166 167.1426 188.1909 138.2693 155.0681 12.55_216.9713m/z 216.9713 12.55 147.3171 152.3411 157.2151 139.5585 139.6934 159.7291 12.55_589.2978m/z 589.2978 12.55 217.5011 193.1807 174.0703 157.6294 159.8512 170.6546 12.56_357.2036m/z 357.2036 12.56 180.8732 192.3334 165.0984 208.1262 175.7685 196.9613 12.58_344.1562m/z 344.1562 12.58 91.6063 145.9563 111.2684 117.7566 87.9079 161.9292 12.58_493.2395m/z 493.2395 12.58 289.4223 263.3363 270.3907 255.4115 232.4465 276.0772 12.59_597.2304m/z 597.2304 12.59 265.1221 291.9834 262.9272 259.8260 217.4656 284.9338 12.60_144.9036m/z 144.9036 12.60 85.5715 79.7890 86.0742 70.5357 83.3360 98.6765 12.60_249.1128m/z 249.1128 12.60 171.8588 180.4806 167.6368 166.4176 163.0443 183.0046 C14H18O4 Ubiquinone-1 Ubiquinone-1 HMDB02012 MEDIUM 12.61_405.2573m/z 405.2573 12.61 156.2105 142.6022 151.8324 153.3396 139.6260 165.4873 12.62_270.2066m/z 270.2066 12.62 623.2157 551.1387 585.3247 567.1676 566.2711 632.0663 12.62_315.1944m/z 315.1944 12.62 332.1903 352.0956 348.8977 325.8162 357.8408 384.2494 12.62_327.2107m/z 327.2107 12.62 215.9399 231.3719 239.9693 220.2788 216.2755 274.5146 12.62_565.2976m/z 565.2976 12.62 3720.8884 3676.8277 3757.5708 3668.3074 3646.9858 3833.6402 12.62_587.2817m/z 587.2817 12.62 560.8264 662.7321 583.0106 637.8109 536.4770 636.4799 12.63_284.1159m/z 284.1159 12.63 72.3448 68.5919 79.7730 76.6374 78.6677 66.6393 12.63_285.1250m/z 285.1250 12.63 127.5366 150.2757 157.5123 152.6398 156.0881 120.7080 12.63_305.0804m/z 305.0804 12.63 256.4179 234.1153 281.3534 207.4987 227.4084 227.7545 12.63_322.6085m/z 322.6085 12.63 174.5114 177.1148 161.9867 160.3825 153.5602 144.4408 12.63_368.9754m/z 368.9754 12.63 875.4417 854.3211 837.9372 800.0829 864.1736 841.0975 12.63_497.2701m/z 497.2701 12.63 2427.2585 2494.2565 2417.4720 2397.2236 2414.4409 2578.6866 12.63_499.2884m/z 499.2884 12.63 2978.1849 3011.1795 2960.3742 2917.7441 2949.1131 3117.7536 12.63_521.2362m/z 521.2362 12.63 70.4489 67.7745 55.6395 60.4848 58.8622 36.5768 12.63_600.2199m/z 600.2199 12.63 154.6777 143.6567 164.7421 157.5109 179.2097 139.2780 12.64_162.9819m/z 162.9819 12.64 102.0521 100.0105 88.3257 86.9956 86.5528 124.9682 12.64_254.6224m/z 254.6224 12.64 11609.0719 11543.8297 11388.2027 11312.9638 11357.6960 11888.0966 12.64_255.1241m/z 255.1241 12.64 3619.9515 3647.9118 3573.0583 3575.5638 3609.2424 3739.7975 12.64_283.6091m/z 283.6091 12.64 285.0974 278.9428 298.4620 280.2235 268.7635 326.7788 12.64_286.5899m/z 286.5899 12.64 267.9263 230.0136 208.3092 214.0131 237.0505 238.1705 12.64_288.6165m/z 288.6165 12.64 1384.8297 1387.8235 1430.9440 1427.6456 1386.9330 1446.4543 12.64_289.1177m/z 289.1177 12.64 402.9381 417.8637 419.6340 417.2101 405.7743 416.2689 12.64_303.5675m/z 303.5675 12.64 338.4115 384.5025 370.2987 320.4270 340.0633 360.9608 12.64_304.0729m/z 304.0729 12.64 36.2571 39.2760 25.2852 36.3257 25.5040 33.3107 12.64_308.5846m/z 308.5846 12.64 286.7167 286.7568 283.7438 284.8793 302.0267 250.3790 12.64_311.6113m/z 311.6113 12.64 43.8701 50.2541 44.9433 51.0145 47.5553 28.3841 12.64_319.6008m/z 319.6008 12.64 325.8248 303.4578 290.5015 311.0216 302.6505 301.8306 12.64_379.1961m/z 379.1961 12.64 246.1348 256.1058 255.1777 258.0881 266.9011 286.9916 12.64_435.2185m/z 435.2185 12.64 2961.0851 3078.0565 3056.7694 3046.2492 3087.2746 3307.8323 12.64_450.2286m/z 450.2286 12.64 114.4315 129.5558 116.0189 119.0431 145.3146 103.8105 12.64_465.2359m/z 465.2359 12.64 229.7642 255.8313 242.5955 251.5759 237.8513 264.4441 12.64_489.2651m/z 489.2651 12.64 170.2288 132.0271 133.5584 160.3863 128.0031 160.6452 12.64_510.2516m/z 510.2516 12.64 27412.2242 28034.7594 28090.7103 27848.4141 27529.5851 28815.3614 12.64_532.2333m/z 532.2333 12.64 2075.1563 2143.3057 2061.1335 2052.9039 2015.0572 2165.7479 12.64_594.2056m/z 594.2056 12.64 122.2226 158.0610 131.2877 136.0626 107.1585 136.7196 12.65_218.9672m/z 218.9672 12.65 125.2376 140.2005 143.2025 133.9732 135.4420 139.7953 12.65_303.1087m/z 303.1087 12.65 51.2759 78.2820 93.1832 72.7060 63.1131 55.0854 12.65_345.1609m/z 345.1609 12.65 210.1336 213.6572 185.6507 213.2305 219.7418 253.6935 12.65_396.2372m/z 396.2372 12.65 96.5003 122.3948 96.9159 125.3844 122.0667 118.1014 12.65_419.2092m/z 419.2092 12.65 256.6786 262.4579 240.7656 247.5645 228.6010 252.3857 12.65_464.2484m/z 464.2484 12.65 121.2919 136.3981 125.4372 153.9192 143.5720 147.8845 12.66_193.1234m/z 193.1234 12.66 131.3687 147.0718 140.5681 142.9799 145.9591 144.9454 C12H18O2 Hexylresorcinol MEDIUM 12.66_266.9130m/z 266.9130 12.66 93.4971 90.0298 112.7319 91.6866 104.9013 105.1546 12.66_310.2095n 309.2028 12.66 806.6644 816.5823 806.2444 812.8218 817.6396 834.3290 12.66_351.2149m/z 351.2149 12.66 3379.0653 3441.8532 3463.7557 3446.1196 3356.5894 3627.4231 12.66_421.1901m/z 421.1901 12.66 91.5058 50.3668 86.3466 82.8812 84.2774 88.7435 12.66_516.2864m/z 516.2864 12.66 51.0546 49.4252 47.8547 40.4195 18.0996 30.2830 12.67_144.9044m/z 144.9044 12.67 86.8111 87.5957 91.2257 90.2888 87.7064 96.6543 12.67_325.1850m/z 325.1850 12.67 507.5721 537.0203 552.7949 545.9960 503.2929 606.6632 12.68_336.6563m/z 336.6563 12.68 232.4550 242.5805 216.7503 229.6119 222.7541 223.8752 12.68_407.2688m/z 407.2688 12.68 543.8767 520.5280 544.4132 499.6181 530.2644 584.8323 12.68_446.2896m/z 446.2896 12.68 2460.2077 2448.9027 2472.1529 2517.1484 2499.7587 2681.4618 12.69_413.1938m/z 413.1938 12.69 883.9893 924.7365 888.0912 944.6416 898.0796 973.0301 12.69_461.2119m/z 461.2119 12.69 285.3790 327.6043 315.6819 311.5003 244.4651 334.5340 12.69_505.2054m/z 505.2054 12.69 2590.6607 2532.6397 2534.4200 2595.7699 2518.9343 2686.7645 12.70_157.1229m/z 157.1229 12.70 510.3287 499.8462 516.5522 468.8495 459.9377 517.3324 C9H18O2 Pelargonic acid Pelargonic acid HMDB00847 MEDIUM 12.70_269.1742m/z 269.1742 12.70 251.4990 280.7763 262.8039 301.7360 276.5226 296.8075 12.70_287.0812m/z 287.0812 12.70 280.7438 223.2177 262.4926 251.2566 217.2632 245.2153 12.70_319.0980m/z 319.0980 12.70 91.8669 123.2330 102.7693 84.5868 76.7472 98.0654 12.70_389.2657m/z 389.2657 12.70 227.6222 232.5460 215.9776 251.6132 204.2980 205.4553 C24H40O5 Cholic acid Cholic acid HMDB00619 MEDIUM 12.70_393.2140m/z 393.2140 12.70 504.1062 530.8562 540.8958 542.6653 524.3159 563.8843 12.70_438.8734m/z 438.8734 12.70 145.8535 142.1296 128.0906 103.7848 98.2546 115.5986 12.70_467.2190m/z 467.2190 12.70 249.0497 294.1807 238.1294 236.9156 242.8551 235.1238 12.71_241.1660m/z 241.1660 12.71 185.8704 157.5560 162.7089 147.3648 163.9548 137.4046 12.71_369.1728m/z 369.1728 12.71 12001.6569 12226.4341 12409.7820 13181.6032 12899.6522 13382.3171 12.71_401.1969m/z 401.1969 12.71 518.2218 512.0455 504.4322 501.8384 517.9046 539.2656 12.71_415.2115m/z 415.2115 12.71 1740.5648 1815.5997 1765.9796 1801.3668 1755.7809 1870.3606 12.71_425.1960m/z 425.1960 12.71 388.3330 404.0178 392.9128 385.6090 388.8981 458.7112 12.71_438.1653m/z 438.1653 12.71 137.2262 122.5827 132.6729 160.8079 153.3180 109.1635 12.73_257.1744m/z 257.1744 12.73 542.8765 571.9501 554.8385 572.1404 542.7899 583.4864 C14H26O4 Tetradecanedioic acid Tetradecanedioic acid HMDB00872 HIGH 12.73_321.1441m/z 321.1441 12.73 541.1949 553.5281 607.1609 584.0005 550.8200 598.7061 C20H24N2OS Propiomazine Propiomazine 8491 MEDIUM 12.73_431.2208m/z 431.2208 12.73 106.7303 122.8352 129.2846 141.6658 105.9102 121.0904 12.73_489.2647m/z 489.2647 12.73 149.6830 149.2094 169.0237 175.3110 152.7812 173.5522 12.73_493.2326m/z 493.2326 12.73 115.4818 128.9669 125.1654 129.0825 116.8255 173.6224 12.73_565.2974m/z 565.2974 12.73 1228.7933 1221.9455 1139.4606 1241.9769 1219.7286 1208.2780 12.73_587.2788m/z 587.2788 12.73 118.1074 145.9413 119.5714 142.6050 109.2177 133.4365 12.74_263.6273m/z 263.6273 12.74 1862.6466 1955.1090 1897.0178 1922.8920 1869.3468 1966.6696 12.74_313.1838m/z 313.1838 12.74 225.5335 234.2260 251.0630 234.5297 245.2593 242.1800 12.74_336.1558m/z 336.1558 12.74 417.0050 431.6907 426.5746 427.6200 390.6663 419.8241 12.74_453.2260m/z 453.2260 12.74 459.4806 549.1628 554.5822 529.7969 523.9444 595.8264 12.74_528.2614m/z 528.2614 12.74 9016.3948 9197.8149 9265.7318 9432.1751 8943.7676 9457.3134 12.74_550.2424m/z 550.2424 12.74 1869.3864 2000.5045 1947.8842 1970.5067 1933.8150 2007.7427 12.74_618.2279m/z 618.2279 12.74 181.9034 199.1674 189.8946 216.3064 238.8505 284.8645 12.75_317.5925m/z 317.5925 12.75 43.0354 33.7710 40.5954 30.4774 53.4294 45.1807 12.75_327.2111m/z 327.2111 12.75 210.5194 196.3943 192.8174 206.0906 201.0109 216.0901 12.75_428.1491m/z 428.1491 12.75 1218.0034 1329.8960 1320.8363 1382.0750 1207.6433 1413.7041 12.75_612.2104m/z 612.2104 12.75 77.1048 89.6006 100.6006 81.9764 85.3077 79.2738 12.76_249.1475m/z 249.1475 12.76 264.3414 293.7943 313.8244 274.8221 249.2507 300.3386 C15H22O3 Gemfibrozil Gemfibrozil HMDB15371 HIGH 12.76_351.2146m/z 351.2146 12.76 4067.6714 4007.9604 4031.7632 4127.5897 4189.3047 4193.3290 12.76_391.1490m/z 391.1490 12.76 447.5696 446.4911 410.1323 422.1332 417.6847 460.4972 12.76_394.1677m/z 394.1677 12.76 89.4730 75.2973 77.1650 93.1593 94.9310 86.9205 12.76_419.1996m/z 419.1996 12.76 560.0974 581.3791 578.3657 582.8151 540.6159 533.4969 12.76_478.1877n 459.1699 12.76 333.0723 377.7162 391.5899 379.8703 319.9747 363.1221 12.76_481.1708m/z 481.1708 12.76 393.2965 396.7819 370.8733 356.9332 400.1361 380.0167 12.76_624.3351m/z 624.3351 12.76 1746.1400 1766.2156 1802.9597 1823.7937 1739.3851 1824.3828 12.76_646.3156m/z 646.3156 12.76 400.4450 458.6676 432.8562 447.0737 424.8711 436.0034 12.77_310.1770m/z 310.1770 12.77 69.1054 61.5386 46.2874 52.1957 40.6769 55.6863 12.77_329.2324m/z 329.2324 12.77 23314.8962 23467.3409 23986.2570 23393.4862 23342.8200 24538.1118 12.77_357.2033m/z 357.2033 12.77 393.6662 372.7090 389.3931 407.8636 366.6948 397.0222 12.77_374.1977m/z 374.1977 12.77 88.5583 102.8789 125.8647 120.9641 105.7741 133.2487 12.77_387.1916m/z 387.1916 12.77 254.0336 258.9507 287.3632 266.7291 239.8336 277.9425 12.77_427.2132m/z 427.2132 12.77 3935.9376 3924.0277 3933.8675 3963.3116 3872.6824 4131.6625 12.77_451.1089m/z 451.1089 12.77 105.6721 90.4374 100.1655 90.9319 120.9912 97.2852 12.77_467.1035m/z 467.1035 12.77 184.4386 222.5853 203.0033 216.1933 207.2574 207.8041 12.77_495.2197m/z 495.2197 12.77 443.5199 441.6043 424.0665 464.2993 419.6841 429.9288 12.77_500.2877m/z 500.2877 12.77 26.2509 16.4085 37.7622 52.3117 38.6258 38.8033 12.77_582.2662m/z 582.2662 12.77 170.5578 174.5271 154.9539 195.2583 167.9230 163.0882 12.78_179.1434m/z 179.1434 12.78 223.8208 223.0657 204.0786 223.8880 203.2668 224.3310 12.78_223.1330m/z 223.1330 12.78 3266.3650 3322.2796 3313.8859 3346.4643 3239.3860 3431.6717 12.78_245.1139m/z 245.1139 12.78 232.5489 248.6746 242.0688 217.4584 246.1991 238.4453 12.78_267.1229m/z 267.1229 12.78 11903.0191 12149.2298 11978.8605 12048.0330 11792.8812 12355.5733 12.78_289.1046m/z 289.1046 12.78 1412.2260 1392.7260 1402.7827 1450.3155 1407.3518 1458.5052 12.78_351.0746m/z 351.0746 12.78 327.2142 331.8571 354.1069 320.2756 318.9860 314.8884 12.78_357.0925m/z 357.0925 12.78 829.2613 826.6549 852.7697 901.6070 837.2519 890.0662 12.78_375.2136m/z 375.2136 12.78 755.3008 785.4773 761.8122 792.1423 808.9406 823.8148 12.78_395.1828m/z 395.1828 12.78 379.3236 343.4702 359.6571 381.9180 387.9055 364.4514 12.78_463.1075m/z 463.1075 12.78 221.0762 249.1340 240.3184 275.5267 239.1117 268.5686 12.78_516.2831m/z 516.2831 12.78 483.5107 470.1805 488.8459 482.5868 425.9671 422.5281 12.78_579.2107m/z 579.2107 12.78 109.4656 144.3029 121.7580 113.1677 115.6378 119.7255 12.79_447.1310m/z 447.1310 12.79 491.5948 491.1629 470.4868 527.1919 501.7949 473.9919 12.80_263.1279m/z 263.1279 12.80 4194.6223 4162.8601 4183.5286 4213.0525 4120.7151 4225.2240 C15H22O5 Artemisinin HIGH 12.80_331.1053m/z 331.1053 12.80 628.4232 643.1572 613.5470 653.9525 655.9083 652.9686 C13H17F3N4O4 Prodiamine MEDIUM 12.80_715.7544m/z 715.7544 12.80 47.0587 51.7971 63.3045 41.8459 74.2551 47.5369 12.81_228.9591m/z 228.9591 12.81 82.0860 92.3599 96.3077 70.1620 52.9839 68.0627 12.81_715.2559m/z 715.2559 12.81 119.0005 197.6587 132.6997 167.2109 120.1654 119.4978 12.82_283.1105m/z 283.1105 12.82 128.4345 144.2620 118.2319 92.0005 102.5320 205.1140 12.83_333.2049m/z 333.2049 12.83 2300.6007 2304.0763 2322.4949 2324.5448 2291.4085 2325.9257 C20H32O5 Grayanotoxin II Grayanotoxin II MEDIUM 12.83_359.2207m/z 359.2207 12.83 538.1047 515.7877 522.5994 531.2839 509.3375 575.3926 12.83_509.2719m/z 509.2719 12.83 825.2036 835.5774 817.7130 843.9175 825.8981 824.0194 12.83_556.3194m/z 556.3194 12.83 219.4203 283.4881 260.1056 334.2245 238.2251 195.9987 12.83_577.2560m/z 577.2560 12.83 88.0155 97.0779 81.6906 119.7493 115.9223 109.3781 12.85_355.2108m/z 355.2108 12.85 89.1263 96.1190 90.4516 94.3881 122.3168 89.4627 12.86_216.9707m/z 216.9707 12.86 168.4354 158.0871 174.4165 165.5462 156.1575 166.3154 12.86_469.2232m/z 469.2232 12.86 181.8297 193.0012 178.1038 191.0274 187.5776 218.6624 12.86_497.2325m/z 497.2325 12.86 220.1114 254.2795 250.0648 232.9329 243.1101 237.4994 12.86_522.2577m/z 522.2577 12.86 252.3164 267.3533 260.9857 257.7422 274.6665 276.5085 12.86_564.2115m/z 564.2115 12.86 466.7685 523.9776 532.9373 545.6083 511.4087 563.9904 12.87_311.6652m/z 311.6652 12.87 681.3137 687.1891 674.9258 649.1869 723.8796 690.1337 12.87_381.1743m/z 381.1743 12.87 859.1696 927.6492 942.9230 970.7243 971.9074 985.0469 12.87_464.3004m/z 464.3004 12.87 17527.8410 17927.6141 18454.9290 18547.1428 18294.4299 18828.0090 12.87_519.2241m/z 519.2241 12.87 83.9772 79.7702 65.6497 78.0508 69.3989 59.9873 12.87_548.2515m/z 548.2515 12.87 207.9012 213.0539 246.4197 219.6993 233.3418 218.3209 12.87_573.2910n 572.2302 12.87 493.2326 515.3180 516.0489 558.2297 523.3055 483.0880 12.87_582.2278n 563.2100 12.87 185.3905 212.2674 191.8062 194.4208 215.3031 176.1759 12.87_595.2375n 594.2585 12.87 398.5854 430.0638 435.2541 451.1734 458.5374 528.6027 12.87_600.2701m/z 600.2701 12.87 442.2769 480.5643 454.6289 483.6929 423.1101 484.0472 12.87_624.3366m/z 624.3366 12.87 4008.1097 4123.2808 4095.4958 4000.0051 3967.1235 4092.6084 12.87_646.3163m/z 646.3163 12.87 997.5403 1032.8700 1010.0903 986.2492 999.3934 1006.6601 12.87_657.2940m/z 657.2940 12.87 122.5807 106.9689 137.1180 152.7114 170.7377 157.1204 12.87_662.2504m/z 662.2504 12.87 178.8239 190.8640 234.7478 229.7153 208.6269 187.1625 12.87_668.2780m/z 668.2780 12.87 173.5278 185.2770 207.1826 170.4311 186.8577 189.0461 12.88_367.2001m/z 367.2001 12.88 171.3964 175.3639 166.2557 195.4391 149.3760 161.7361 12.88_397.1098m/z 397.1098 12.88 537.7999 546.1961 532.6360 544.4970 531.4361 495.0902 12.89_241.1797m/z 241.1797 12.89 542.8451 543.1864 582.0580 548.2037 577.3627 562.9216 12.89_479.2584m/z 479.2584 12.89 548.2306 579.9725 573.7021 584.4875 648.4074 594.0036 12.89_660.3351m/z 660.3351 12.89 178.1054 188.0999 188.7352 178.6783 192.8073 161.8265 12.90_239.9028m/z 239.9028 12.90 132.0155 133.4277 125.5531 111.1027 144.5368 140.5716 12.90_436.2315m/z 436.2315 12.90 15.6667 40.8085 29.1706 50.5437 33.2703 29.1085 12.90_491.2819m/z 491.2819 12.90 351.4731 365.5285 350.0056 376.8664 377.0599 331.5575 12.91_162.9812m/z 162.9812 12.91 177.6717 195.9278 204.4851 191.5853 195.6415 205.1098 12.91_262.1317m/z 262.1317 12.91 26.0117 26.2977 28.3576 26.7859 32.3692 31.2861 12.91_437.2046m/z 437.2046 12.91 138.5397 177.7967 203.1462 170.1040 187.1036 177.6922 12.91_524.2641m/z 524.2641 12.91 789.2678 772.9481 727.5847 781.4124 815.9740 751.1264 12.92_255.6293m/z 255.6293 12.92 454.9972 460.1022 434.5214 436.3792 435.9204 439.4628 12.92_256.1254m/z 256.1254 12.92 236.4097 205.6455 208.5389 217.7871 224.0007 209.5062 12.92_261.6298m/z 261.6298 12.92 128.6541 132.8908 142.0560 127.2599 140.9684 126.1143 12.92_289.6240m/z 289.6240 12.92 41.1483 53.1904 38.0886 43.7701 45.6695 44.7264 12.92_567.3141m/z 567.3141 12.92 2594.0189 2583.0885 2568.2613 2616.9508 2592.1024 2503.8514 12.92_589.2950m/z 589.2950 12.92 434.3292 457.1164 437.3735 442.2409 444.3584 410.6163 12.93_193.1593m/z 193.1593 12.93 61.1088 57.8908 61.0290 62.0540 69.6530 55.2672 12.93_266.1043m/z 266.1043 12.93 76.7034 72.6204 69.8180 75.3872 73.8954 75.3132 12.93_273.1099m/z 273.1099 12.93 942.5295 965.5295 1042.1401 1011.1814 1022.7426 1025.3145 12.93_293.1752m/z 293.1752 12.93 2537.6781 2532.6083 2728.3896 2539.3985 2579.2463 2612.7770 C17H26O4 6-Gingerol MEDIUM 12.93_305.0295m/z 305.0295 12.93 554.2493 702.3658 719.5074 654.6122 621.8890 679.3075 12.93_313.1044m/z 313.1044 12.93 283.3487 348.5220 320.0586 305.9225 297.1838 317.5976 12.93_315.0970m/z 315.0970 12.93 596.9468 613.2124 648.3238 608.1530 667.8105 639.9468 12.93_319.1022m/z 319.1022 12.93 395.4038 386.5488 413.4458 361.5823 385.7420 378.5563 12.93_327.1681m/z 327.1681 12.93 236.1373 231.4154 259.7928 246.1450 275.2984 268.5937 12.93_335.0805m/z 335.0805 12.93 709.5278 690.6625 710.0063 666.0374 694.7930 716.9841 C19H15FN2O4 Flumioxazin Flumioxazin MEDIUM 12.93_338.9893m/z 338.9893 12.93 240.2121 260.3514 255.7432 297.9328 285.4788 266.9903 12.93_339.1029m/z 339.1029 12.93 241.9001 252.0569 265.4897 253.4476 265.9984 275.6483 12.93_340.9865m/z 340.9865 12.93 350.1856 342.7351 378.2741 387.9034 400.0888 407.2006 12.93_341.0977m/z 341.0977 12.93 582.6815 621.2443 592.2132 604.0949 567.9551 621.1575 12.93_382.0710m/z 382.0710 12.93 244.1344 253.8419 244.4707 260.5779 241.3677 258.3889 12.93_396.0493m/z 396.0493 12.93 138.3021 126.4319 106.8855 118.8176 112.7948 114.9332 12.93_433.2281m/z 433.2281 12.93 169.3653 228.1472 264.4513 237.3026 216.0854 231.5499 C30H32N2O2 Diphenoxylate 4639 MEDIUM 12.93_492.8751m/z 492.8751 12.93 137.4480 152.5570 120.9243 143.3862 113.1758 133.4350 12.93_520.2408n 501.2229 12.93 248.5221 264.7105 254.4559 227.0124 280.9482 282.7535 12.93_579.2762m/z 579.2762 12.93 707.3436 675.9179 707.5499 744.6678 695.7023 679.8086 12.94_336.2278n 335.2218 12.94 6176.4289 6519.0425 6410.7400 6631.5398 6138.0429 6714.4959 12.94_362.0024n 342.9845 12.94 365.8724 428.1888 484.2510 460.2435 423.2785 450.6177 12.94_445.2349m/z 445.2349 12.94 208.5888 231.5923 206.7852 245.1192 253.9518 242.0844 12.94_471.0795m/z 471.0795 12.94 316.3845 369.4762 409.4835 380.6649 368.0051 375.0374 12.94_511.2867m/z 511.2867 12.94 9306.6636 9343.5717 9317.9843 9405.0517 9284.3210 9449.6251 12.94_610.3558m/z 610.3558 12.94 1002.4200 1124.5092 1149.2718 1171.4215 1032.2271 1179.4649 C39H51NO6 Janthitrem G MEDIUM 12.95_253.0823m/z 253.0823 12.95 541.5751 539.9894 554.0655 558.0416 518.9884 548.4854 12.95_390.2380m/z 390.2380 12.95 474.5793 553.5228 519.0587 509.0428 506.2928 566.1320 12.95_425.1915m/z 425.1915 12.95 208.2302 217.6954 217.1444 232.6238 227.5487 245.0801 12.95_467.2214m/z 467.2214 12.95 97.6161 132.5215 112.1774 118.5724 153.9567 112.4723 12.95_473.0928m/z 473.0928 12.95 108.9112 133.0261 158.2085 140.5899 118.6693 95.7539 12.96_263.6277m/z 263.6277 12.96 2354.5824 2344.4499 2312.6654 2312.2649 2351.9445 2331.9985 12.96_264.1292m/z 264.1292 12.96 1036.3207 1017.7054 977.2487 998.0741 964.5584 1062.2753 12.96_311.1762m/z 311.1762 12.96 2840.3215 2791.0095 3037.8987 2903.6566 2977.6200 3106.6075 12.96_323.1621m/z 323.1621 12.96 467.8138 510.0571 511.9182 547.9214 528.7957 531.1284 12.96_353.2309m/z 353.2309 12.96 688.6822 699.8761 733.5816 722.7195 724.6438 717.2145 12.96_403.2070m/z 403.2070 12.96 632.9495 655.3353 613.6671 641.7984 635.6987 711.4759 12.96_423.1832m/z 423.1832 12.96 327.8506 312.1858 332.9981 308.0614 322.0947 348.2336 12.96_453.2340m/z 453.2340 12.96 674.2659 652.3911 655.6029 688.3969 722.4585 720.3115 12.96_528.2622m/z 528.2622 12.96 15737.7301 15507.0422 15942.4208 15716.4786 15590.1021 15908.6663 12.96_550.2440m/z 550.2440 12.96 3642.7333 3537.4132 3632.5517 3687.9172 3609.2758 3572.0283 12.96_612.2167m/z 612.2167 12.96 210.2982 223.4041 210.6885 215.9835 241.4923 270.8073 12.96_618.2287m/z 618.2287 12.96 196.8481 244.6725 192.9584 225.5383 235.9798 215.2776 12.96_716.2632m/z 716.2632 12.96 369.2944 457.7446 378.1052 425.3515 405.9808 353.7947 12.96_716.7626m/z 716.7626 12.96 195.3641 227.4487 184.2979 226.3220 201.7533 104.8439 12.97_146.9000m/z 146.9000 12.97 43.4862 46.6799 38.3353 42.3717 49.8181 38.6228 12.97_171.1386m/z 171.1386 12.97 1042.8325 965.1210 1121.3847 1037.4944 1055.7197 1080.9062 C10H20O2 Capric acid Capric acid 30813 HIGH 12.97_269.1750m/z 269.1750 12.97 342.4392 357.3838 358.2278 342.9785 319.8501 338.2050 12.97_285.1264m/z 285.1264 12.97 56.0923 37.3901 66.7143 60.9224 56.1501 61.8789 12.97_301.0974m/z 301.0974 12.97 374.9391 422.1558 445.1711 395.1311 376.8343 409.8774 12.97_448.3045m/z 448.3045 12.97 745.7572 797.4221 853.5724 799.7328 866.2329 879.4633 12.97_505.2397m/z 505.2397 12.97 197.7798 225.4312 231.0060 237.4147 216.1983 241.8457 12.98_367.2019m/z 367.2019 12.98 343.2451 344.8224 337.7103 349.8901 361.6683 343.7240 C22H28N2O3 Methoxyfenozide 38449 MEDIUM 12.98_674.3160m/z 674.3160 12.98 97.8559 105.5657 117.3285 95.5806 73.2327 107.3714 12.99_297.1559m/z 297.1559 12.99 311.9199 298.7815 314.0982 295.0162 344.2906 302.8557 12.99_304.1523m/z 304.1523 12.99 1392.1579 1349.6831 1422.1744 1426.7659 1349.2699 1451.3984 12.99_304.6534m/z 304.6534 12.99 299.2337 301.0253 312.6680 293.9765 313.2938 281.6507 12.99_357.1773m/z 357.1773 12.99 240.8343 208.5981 192.5146 201.8600 211.6065 225.4960 12.99_609.3104m/z 609.3104 12.99 3076.8283 2983.0442 3073.1304 3009.4975 3062.5760 3054.4006 12.99_631.2906m/z 631.2906 12.99 843.3362 788.5599 846.2031 896.2238 822.7860 823.7197 13.00_212.9693m/z 212.9693 13.00 119.6973 120.9073 132.8385 125.7285 125.7512 133.0283 13.00_565.2900m/z 565.2900 13.00 247.2576 231.4735 172.8469 199.5942 222.0961 261.3472 13.01_257.1752m/z 257.1752 13.01 853.3201 868.2406 834.4660 832.5223 848.8520 893.6426 C14H26O4 Tetradecanedioic acid Tetradecanedioic acid HMDB00872 HIGH 13.01_347.1769m/z 347.1769 13.01 202.8818 208.9614 162.4799 209.3013 194.3255 227.3448 13.01_365.6781m/z 365.6781 13.01 43.7360 36.5588 30.2837 37.5220 46.5021 24.7781 13.01_489.2680m/z 489.2680 13.01 531.5592 521.2292 555.7145 567.7912 541.4371 571.6162 13.02_365.1792m/z 365.1792 13.02 271.8313 262.9555 275.5727 259.1659 267.4621 294.4993 13.02_376.2129m/z 376.2129 13.02 32.2315 37.1937 30.5814 32.5019 33.2110 27.1665 13.02_493.2735m/z 493.2735 13.02 267.8140 264.5119 265.6508 274.8830 240.0938 292.0113 13.02_495.2558m/z 495.2558 13.02 243.7097 252.7029 275.3523 278.6438 255.1172 282.5204 13.02_624.3368m/z 624.3368 13.02 6378.6018 6359.7332 6452.9993 6418.0556 6333.1973 6559.4308 13.02_646.3182m/z 646.3182 13.02 1340.6005 1251.1313 1279.6532 1330.0002 1251.8011 1287.6542 13.02_714.3039m/z 714.3039 13.02 131.7302 141.2035 151.4510 123.8642 133.9005 119.4353 13.03_144.9045m/z 144.9045 13.03 261.2503 258.3975 260.9482 237.6607 240.4067 239.9270 13.03_311.6651m/z 311.6651 13.03 680.4540 687.1288 681.0096 648.3465 655.8382 657.5377 13.03_359.2215m/z 359.2215 13.03 8210.3333 8168.6533 8381.5151 8351.4561 8163.0484 8358.5048 13.03_419.1951m/z 419.1951 13.03 145.1437 154.4128 145.5222 146.8679 147.2454 126.7015 13.04_266.9135m/z 266.9135 13.04 119.7758 110.4101 140.2768 155.4002 128.3051 160.5932 13.04_331.1914m/z 331.1914 13.04 187.9511 168.5158 175.5534 179.3921 213.6396 189.9681 13.04_341.1772m/z 341.1772 13.04 537.6138 555.9340 572.8265 560.0398 552.9619 577.2638 13.04_341.6692m/z 341.6692 13.04 11.2736 19.6527 21.2027 14.1230 16.3347 12.3692 13.04_351.2119m/z 351.2119 13.04 2085.8138 2069.2499 2136.8144 2094.8941 2062.5068 2094.2880 13.04_397.2013m/z 397.2013 13.04 488.1863 513.7911 541.2356 545.7029 554.8120 519.2213 C24H32O6 Arenobufagin MEDIUM 13.04_407.2427m/z 407.2427 13.04 634.9297 631.4480 658.0256 628.6834 649.1023 647.6749 13.04_428.2149m/z 428.2149 13.04 264.9888 255.4791 267.8850 281.1784 250.4569 253.7857 13.04_535.2543m/z 535.2543 13.04 302.1598 322.1242 342.0209 319.8571 325.3132 317.0127 13.04_641.3511m/z 641.3511 13.04 494.2810 514.5319 506.7223 513.3904 496.8390 501.2242 13.05_273.2066m/z 273.2066 13.05 211.5987 212.2521 229.2765 221.5629 203.1982 225.9984 13.05_391.2841m/z 391.2841 13.05 3486.8218 3460.8913 3580.9459 3539.1612 3480.3856 3538.0228 C24H40O4 Ursodeoxycholic acid Ursodeoxycholic acid HMDB00946 MEDIUM 13.05_437.2884m/z 437.2884 13.05 695.2385 709.1241 686.8172 743.1530 693.4502 681.9765 13.05_459.2695m/z 459.2695 13.05 463.3629 438.4324 476.0647 483.3516 472.7764 443.0146 13.05_521.2452m/z 521.2452 13.05 346.5434 343.7999 313.2749 353.9195 351.5957 333.2658 13.05_537.2035m/z 537.2035 13.05 246.4701 292.7915 280.2405 255.1946 222.7513 250.4093 13.05_556.3235m/z 556.3235 13.05 1420.9605 1657.6533 1821.1206 1958.9059 1621.1403 1426.8349 13.07_345.1640m/z 345.1640 13.07 112.7378 138.9732 101.1241 132.3006 118.3858 172.2879 13.07_496.2971m/z 496.2971 13.07 683.3713 720.8387 818.2729 860.4330 762.3999 731.0579 13.07_505.2824m/z 505.2824 13.07 338.5581 327.5691 307.3824 394.9758 345.5593 378.4165 13.07_541.2137m/z 541.2137 13.07 133.9871 150.4337 109.4382 134.2565 123.1126 61.2468 13.07_569.2555m/z 569.2555 13.07 37.8640 69.2025 57.6239 83.6366 66.8629 58.4409 13.07_583.3091m/z 583.3091 13.07 539.3576 571.3828 595.8019 560.9444 564.0266 571.4831 13.08_474.2837m/z 474.2837 13.08 165.9454 163.1349 179.6733 165.6045 178.7239 184.7749 13.08_613.3574m/z 613.3574 13.08 4329.5476 4263.9951 4458.6145 4479.7217 4256.2266 4458.1685 13.08_681.3418m/z 681.3418 13.08 282.8827 312.4608 316.1860 346.3685 262.0911 297.0805 13.09_325.1872m/z 325.1872 13.09 936.6888 886.2975 937.0996 877.3104 904.6458 928.2070 13.09_465.2240m/z 465.2240 13.09 345.5189 360.3500 378.3408 361.7435 410.2885 367.7891 13.09_566.3286m/z 566.3286 13.09 708.9663 712.6190 702.8141 718.9927 746.9145 730.8520 13.10_367.1673m/z 367.1673 13.10 248.8717 241.6086 272.4826 242.6654 256.9191 238.6345 13.10_525.2459m/z 525.2459 13.10 197.3326 191.4336 174.7216 184.9425 258.3745 181.6255 13.10_580.3210m/z 580.3210 13.10 573.4186 626.3691 660.2130 723.7547 679.3906 616.8236 13.11_281.1718m/z 281.1718 13.11 672.1643 661.4773 766.3086 707.3711 688.7206 711.8936 13.11_317.2106m/z 317.2106 13.11 531.5599 531.3929 520.4706 525.3200 531.3517 545.0186 13.11_389.2665m/z 389.2665 13.11 364.0173 384.9854 396.5135 376.8038 337.5113 365.8557 C24H40O5 Cholic acid Cholic acid HMDB00619 MEDIUM 13.11_469.2253m/z 469.2253 13.11 720.5301 692.0409 729.6451 706.3499 652.1634 699.6226 13.12_335.2221m/z 335.2221 13.12 8549.2599 8379.5014 8541.1123 8633.9345 8753.4523 8604.2734 13.12_403.2069m/z 403.2069 13.12 1450.0019 1400.0626 1440.2272 1417.9564 1412.9148 1465.4953 13.12_419.1751m/z 419.1751 13.12 110.1667 115.4178 145.9799 122.5721 129.0917 116.8333 13.12_433.2537m/z 433.2537 13.12 481.9512 513.4056 580.2022 576.2861 587.8811 570.3572 13.13_125.9242m/z 125.9242 13.13 727.9546 1952.0334 1637.1725 2077.5862 2028.9751 1961.5496 13.13_425.1912m/z 425.1912 13.13 156.4985 176.9640 194.7433 185.5980 145.9595 196.1863 13.13_498.9283m/z 498.9283 13.13 577.2971 560.0867 494.9051 574.3276 572.0042 415.1557 13.14_501.2784m/z 501.2784 13.14 672.0723 621.4436 650.2061 680.6079 611.6230 635.2869 13.14_628.3749m/z 628.3749 13.14 253.4232 221.6846 225.3113 269.3210 231.9948 230.2788 13.15_239.0680m/z 239.0680 13.15 1042.7060 976.5542 1066.2175 922.4683 964.1282 1076.4214 C10H12N2O5 "(ñ)-2-(1-Methylpropyl)-4,6-dinitrophenol" MEDIUM 13.16_397.2036m/z 397.2036 13.16 1126.8677 1055.8047 1100.1008 1121.8127 1067.7371 1091.4712 C24H32O6 Arenobufagin MEDIUM 13.17_611.3419m/z 611.3419 13.17 227.4133 244.9129 238.3276 265.9573 269.5013 245.0855 13.18_327.1681m/z 327.1681 13.18 592.0782 538.0487 646.4052 567.0427 632.0866 622.0776 13.18_353.2286m/z 353.2286 13.18 244.2980 241.6882 263.1267 251.5309 243.0540 250.7192 13.18_357.1961m/z 357.1961 13.18 194.9665 150.2895 149.9781 145.4316 165.4893 119.9736 13.18_499.2241m/z 499.2241 13.18 111.2705 92.7619 127.2553 74.9936 88.4124 88.6935 13.19_241.1803m/z 241.1803 13.19 282.1306 260.7903 272.1538 255.1867 278.5267 286.2871 13.19_291.1366m/z 291.1366 13.19 224.5385 200.2584 214.3082 213.4883 207.8059 195.7683 13.19_291.6358m/z 291.6358 13.19 18.2825 17.7785 12.7854 32.8777 33.2379 24.4138 13.19_333.2041m/z 333.2041 13.19 514.2478 542.8143 520.1112 525.1786 516.7759 524.4843 C20H32O5 Grayanotoxin II Grayanotoxin II MEDIUM 13.19_343.2454m/z 343.2454 13.19 401.2248 369.6404 401.2251 389.8352 384.4979 353.8936 13.19_391.2842m/z 391.2842 13.19 2072.4340 1980.1455 2045.9847 2013.6935 2011.1240 1979.8074 C24H40O4 Ursodeoxycholic acid Ursodeoxycholic acid HMDB00946 MEDIUM 13.19_437.2893m/z 437.2893 13.19 823.2093 807.3564 834.3608 852.1399 822.7404 863.3295 13.19_459.2666m/z 459.2666 13.19 533.8524 613.2960 599.9893 580.2229 584.0309 609.5273 13.19_525.2088m/z 525.2088 13.19 154.9470 172.9233 195.9185 213.4068 155.5172 155.0210 13.19_527.2473m/z 527.2473 13.19 146.8105 159.2149 158.5929 156.2085 164.2048 151.5596 13.19_584.3133n 583.2757 13.19 551.3040 567.8900 513.1575 520.8184 570.2974 558.2702 13.20_215.1647m/z 215.1647 13.20 386.0307 371.8392 399.7801 391.4816 389.9797 401.6394 C12H24O3 12-Hydroxydodecanoic acid 12-hydroxy lauric acid HMDB02059 MEDIUM 13.20_283.1707m/z 283.1707 13.20 240.4662 260.3572 263.9292 223.6622 273.0186 289.1509 13.20_317.2105m/z 317.2105 13.20 237.2735 224.3940 238.0597 235.2018 230.5259 221.0808 13.20_439.2187m/z 439.2187 13.20 211.8178 201.2182 200.7802 170.1720 193.9927 185.5068 13.20_493.2400m/z 493.2400 13.20 1920.0265 1847.3491 1876.6091 1886.0189 1813.3834 1858.9501 13.20_519.2262m/z 519.2262 13.20 674.9421 684.4185 727.1936 732.3541 659.9542 658.1037 13.20_541.2060m/z 541.2060 13.20 226.1006 218.9602 213.5483 224.9558 226.4979 181.0904 13.20_554.2258n 535.2080 13.20 292.5654 296.3288 265.8556 295.9576 292.7436 267.2502 13.20_561.2275m/z 561.2275 13.20 157.0592 187.8713 169.6874 156.2020 135.0824 124.4267 13.20_597.2302m/z 597.2302 13.20 204.0507 143.7300 164.2998 157.9757 156.5565 149.5224 13.20_614.2436n 613.2296 13.20 2436.1783 2325.2056 2269.8100 2258.3067 2239.7751 2077.4377 13.20_637.2235m/z 637.2235 13.20 133.3221 109.5959 136.3918 129.6564 108.2265 137.1989 13.21_256.1150m/z 256.1150 13.21 210.2661 189.3772 221.1638 197.0983 188.2876 177.8073 13.21_315.1941m/z 315.1941 13.21 337.2840 383.9403 361.7610 387.1468 371.0011 373.3544 C20H28O3 "15-Deoxy-d-12,14-PGJ2" HMDB05079 MEDIUM 13.21_513.2473m/z 513.2473 13.21 629.0313 572.3269 622.8319 640.2147 600.3236 599.7348 13.21_567.3103m/z 567.3103 13.21 347.2093 266.1102 314.8316 280.7104 273.9389 263.8278 13.22_282.0983m/z 282.0983 13.22 548.0702 516.7113 615.4782 343.2317 954.8355 833.6711 13.22_377.2306m/z 377.2306 13.22 1876.5806 1877.1314 1916.7109 1900.3621 1907.5669 1914.1947 13.22_433.2767m/z 433.2767 13.22 657.9141 696.2868 657.4060 722.7414 702.7977 723.9509 13.22_445.2229m/z 445.2229 13.22 212.9716 200.4790 222.2388 221.1988 209.0019 200.3044 13.23_411.1994m/z 411.1994 13.23 263.3311 265.2624 271.7816 323.1672 282.7461 292.8898 13.23_467.2066m/z 467.2066 13.23 443.2209 451.9619 476.5946 451.7224 480.6036 439.5532 13.24_243.1957m/z 243.1957 13.24 639.4200 614.9161 661.4998 643.1044 652.6975 655.6948 13.24_269.1311m/z 269.1311 13.24 3643.3279 3368.8211 3792.2034 3369.3797 3506.8925 3619.6683 13.24_297.1517m/z 297.1517 13.24 139.6245 121.6196 130.6142 128.7129 138.1851 136.7090 13.24_337.2349m/z 337.2349 13.24 1167.4417 1163.4104 1180.8164 1203.2776 1215.2163 1248.7076 13.24_399.2193m/z 399.2193 13.24 5897.3125 5681.9175 5801.2359 5981.0115 5794.3421 5893.6174 13.24_427.2136m/z 427.2136 13.24 1814.9336 1720.1459 1758.1855 1710.9939 1732.1319 1762.6420 13.24_471.2408m/z 471.2408 13.24 7320.9361 7092.2900 7356.3088 7061.3216 7159.5784 7272.0383 13.25_302.6548m/z 302.6548 13.25 292.1921 256.6645 265.7393 284.4707 245.2654 275.4785 13.25_303.1565m/z 303.1565 13.25 241.7733 244.0915 262.5947 236.1449 208.3231 270.1980 13.25_375.2084m/z 375.2084 13.25 113.4285 116.0568 123.9860 111.7357 102.5954 107.8897 13.25_389.2628m/z 389.2628 13.25 201.1918 202.1924 225.5296 206.7835 199.0271 214.2338 13.25_495.2914m/z 495.2914 13.25 3154.8561 3047.0789 3315.6892 3378.1040 3291.4853 3441.0323 13.25_563.2736m/z 563.2736 13.25 277.1675 316.9769 253.5209 299.3526 287.1682 237.6459 13.25_606.3171m/z 606.3171 13.25 387.5203 404.4301 335.7978 409.9267 376.0201 400.1520 13.27_271.1916m/z 271.1916 13.27 102.7004 117.2526 125.5519 106.6971 95.5484 111.4374 13.27_305.1731m/z 305.1731 13.27 24.8089 29.7289 38.7271 55.1621 30.6839 49.9087 13.27_315.2070m/z 315.2070 13.27 163.1854 144.7272 164.1307 147.1895 174.1297 165.3589 13.27_357.2026m/z 357.2026 13.27 405.8880 372.4365 346.0106 377.1411 334.9751 341.2955 13.27_367.1920m/z 367.1920 13.27 527.0866 519.7046 543.1688 505.1195 515.9573 564.9816 13.27_453.2829m/z 453.2829 13.27 252.0581 269.4881 289.0636 276.5506 308.7304 300.0639 13.27_505.2545m/z 505.2545 13.27 919.9405 860.7669 887.6397 931.7401 876.5224 908.8883 13.27_520.2915m/z 520.2915 13.27 1552.8742 1727.6031 1748.4156 2083.2665 1839.6696 1663.1855 13.27_570.2952m/z 570.2952 13.27 405.5937 465.9237 427.7347 536.9218 459.8930 463.1342 13.27_580.3249m/z 580.3249 13.27 2958.6439 3534.7856 3324.5698 4118.2785 3667.6536 3507.7763 13.27_604.3154m/z 604.3154 13.27 237.5449 276.6814 256.3584 311.0246 280.2565 251.7766 13.27_648.3122m/z 648.3122 13.27 212.1028 243.9777 214.4193 307.4423 232.7434 221.8081 13.29_285.1262m/z 285.1262 13.29 2286.6823 2288.2463 2378.9139 2300.9875 2327.3830 2377.7534 13.29_353.2317m/z 353.2317 13.29 356.1313 311.3624 335.5696 350.6805 351.6081 344.7912 13.29_371.1892m/z 371.1892 13.29 848.5999 829.9593 831.7137 827.1154 865.2640 858.6013 13.29_395.2010m/z 395.2010 13.29 194.7047 200.8717 180.1037 200.0166 204.5375 188.1883 13.29_407.2770m/z 407.2770 13.29 314.9037 283.0188 318.3055 300.6320 286.3764 299.1833 C24H40O5 Cholic acid Cholic acid HMDB00619 HIGH 13.29_596.3157m/z 596.3157 13.29 105.3318 121.0070 106.6845 158.4493 109.7153 165.7383 13.29_613.3480m/z 613.3480 13.29 204.8258 217.2410 230.6450 200.0569 196.2391 177.8825 13.30_451.1962m/z 451.1962 13.30 121.4077 127.1627 139.4419 140.8976 117.3253 137.5988 13.30_669.2739m/z 669.2739 13.30 145.3200 156.2203 135.6294 168.3246 130.9378 159.6075 13.31_233.1548m/z 233.1548 13.31 16550.1310 15680.0571 17542.4329 16035.4875 15275.9133 16888.8409 C15H22O2 Scirpene MEDIUM 13.31_362.2392m/z 362.2392 13.31 579.6465 654.3834 592.4576 605.7493 595.6281 630.8134 13.31_446.2647m/z 446.2647 13.31 78.0095 131.4011 60.1920 105.7605 78.6725 111.0242 13.31_519.2234m/z 519.2234 13.31 1085.1106 1113.0731 1135.6881 1168.4471 1080.7155 971.6141 13.31_541.2052m/z 541.2052 13.31 119.7902 131.1868 157.9564 129.5140 144.6535 157.3864 13.31_641.3532m/z 641.3532 13.31 1216.9523 1197.3928 1112.3659 1110.2361 1130.2648 1116.9636 13.31_663.3347m/z 663.3347 13.31 174.4405 184.1760 182.5693 195.6463 188.9245 180.2415 13.32_255.1359m/z 255.1359 13.32 113.6333 113.8782 135.1560 110.0129 108.9704 95.8630 13.32_341.1892m/z 341.1892 13.32 155.4725 138.6345 144.2434 119.0334 153.6742 143.1990 13.32_491.3028m/z 491.3028 13.32 489.6610 501.2237 518.4993 505.3584 491.9585 488.7285 13.32_797.2904m/z 797.2904 13.32 220.0740 301.6286 220.8175 277.9023 236.7251 187.1777 13.32_797.7903m/z 797.7903 13.32 143.7204 129.4088 144.1301 107.9341 145.4985 118.7842 13.33_240.1720n 239.1647 13.33 527.6711 505.5752 507.0477 537.1640 496.7693 503.6100 13.33_295.1909m/z 295.1909 13.33 280.4518 300.1352 305.4373 300.7020 316.8472 333.5111 13.33_387.2521m/z 387.2521 13.33 485.4051 473.0886 477.8690 452.2343 474.9264 514.8861 13.33_433.2564m/z 433.2564 13.33 213.8266 232.9910 190.3632 220.8820 252.3164 243.5615 13.33_498.9303m/z 498.9303 13.33 1955.8480 2036.8770 1970.4721 2200.8918 2084.0365 1888.6230 C8HF17O3S Perfuorooctane sulfonate 1763-23-1 HIGH 13.33_551.3003m/z 551.3003 13.33 138.8770 147.0853 138.6829 168.1789 154.6516 133.2807 13.34_299.1618m/z 299.1618 13.34 152.0121 144.8586 166.5358 138.4307 142.4325 164.2290 13.34_407.1222m/z 407.1222 13.34 301.0221 301.8731 307.7188 287.9839 283.8467 346.0395 13.35_218.9694m/z 218.9694 13.35 152.2637 151.1919 162.8606 162.7315 154.0437 174.2912 13.35_249.1721m/z 249.1721 13.35 105.1772 103.9678 110.8527 101.3515 104.8630 149.9260 13.35_391.1794m/z 391.1794 13.35 172.2678 185.2465 196.0957 176.4462 165.2294 221.8902 13.35_421.0607m/z 421.0607 13.35 209.0259 261.4028 248.5128 252.7379 233.7066 239.3118 13.36_385.1350m/z 385.1350 13.36 276.7922 270.4832 256.6028 247.4739 272.1424 244.5534 13.36_411.0269m/z 411.0269 13.36 269.4041 246.9972 213.7918 243.9261 255.9361 231.4247 13.36_415.0215m/z 415.0215 13.36 293.1121 275.7676 312.6839 262.9875 282.2201 281.0576 13.36_423.0568m/z 423.0568 13.36 229.7070 219.2453 277.9116 253.3464 238.5225 237.9327 13.36_432.1446n 413.1268 13.36 723.6780 741.2718 731.9730 735.7907 760.7378 740.0543 13.36_475.1034m/z 475.1034 13.36 207.8075 207.6828 216.4795 195.1564 216.2811 174.4888 13.36_477.1337m/z 477.1337 13.36 107.6206 112.0053 127.8474 127.2262 134.0585 133.0750 13.36_517.2973m/z 517.2973 13.36 740.3173 794.6568 758.6530 766.0725 773.7787 786.3950 13.37_319.2221m/z 319.2221 13.37 100.6775 111.7849 101.6409 109.4582 83.8362 115.6790 13.37_335.2228m/z 335.2228 13.37 7876.5060 7765.2217 7785.0785 7975.6544 7868.3183 7907.6605 13.37_397.2039m/z 397.2039 13.37 460.1718 456.2809 450.1767 443.7339 458.6808 467.2747 C24H32O6 Arenobufagin HIGH 13.37_403.2084m/z 403.2084 13.37 682.9861 633.0138 656.1835 597.0889 680.2043 626.4847 13.37_419.1795m/z 419.1795 13.37 163.4327 151.0190 110.0054 134.0618 152.6736 140.1458 13.37_433.1120m/z 433.1120 13.37 283.3554 238.1208 255.8980 268.1484 283.0309 241.7171 13.37_435.1173m/z 435.1173 13.37 315.6311 309.6251 285.6018 302.4904 303.9679 323.5675 13.38_124.9719m/z 124.9719 13.38 1373.7018 1991.9961 1981.1200 2236.1787 1905.5903 1916.9997 13.38_443.1810m/z 443.1810 13.38 120.2756 145.6019 142.6181 122.8404 129.0186 115.0295 13.38_480.2773m/z 480.2773 13.38 169.9170 175.3023 176.0150 184.8894 190.8243 172.6627 13.38_716.2648m/z 716.2648 13.38 1049.4253 1099.8018 1033.8074 1169.1459 1129.3455 1000.8780 13.38_716.7662m/z 716.7662 13.38 531.0447 589.4737 538.1373 585.5378 557.6030 494.6786 13.38_727.2550m/z 727.2550 13.38 139.3952 138.8357 121.8777 134.2062 118.3607 120.9856 13.39_339.1992m/z 339.1992 13.39 280.4194 268.6930 238.4655 276.0681 282.8467 271.6435 13.39_481.2737m/z 481.2737 13.39 316.1478 339.9192 383.2627 414.5078 385.4361 411.6481 13.39_727.7575m/z 727.7575 13.39 83.9901 70.3498 53.7632 53.8899 62.0393 32.4816 13.40_345.6656m/z 345.6656 13.40 113.7282 104.8504 108.4214 96.0369 98.9550 113.2010 13.40_349.1905m/z 349.1905 13.40 92.9564 90.9063 94.3935 87.3090 71.0172 90.0963 13.40_389.2672m/z 389.2672 13.40 502.2565 511.1640 520.1979 474.8074 516.1057 524.3634 13.40_437.2124m/z 437.2124 13.40 651.6677 712.7938 742.5275 760.2645 715.0154 785.6113 13.40_446.2862m/z 446.2862 13.40 100.1745 110.6177 120.0568 108.6862 128.1909 105.0899 13.40_464.2800m/z 464.2800 13.40 109.0676 114.9977 88.0230 116.9727 131.3871 129.9907 13.40_549.2974m/z 549.2974 13.40 258.6955 335.2528 257.0300 264.0390 251.3242 241.7459 13.41_508.3033m/z 508.3033 13.41 184.5972 188.5508 233.4410 237.6757 207.3440 214.6722 13.41_654.7612m/z 654.7612 13.41 104.6836 97.7545 80.4036 104.9411 80.1577 87.2125 13.42_280.6216m/z 280.6216 13.42 3947.9438 3459.0516 3613.7334 3304.1506 3617.9748 3642.3314 13.42_635.3264m/z 635.3264 13.42 242.7545 282.5468 319.7280 311.4437 253.6214 355.0435 13.43_183.1388m/z 183.1388 13.43 178.9949 193.2311 186.5888 180.8878 182.6354 179.0293 C11H20O2 Undecylenic acid 35045 MEDIUM 13.43_249.1847m/z 249.1847 13.43 279.9636 267.2669 282.8492 252.6624 274.0023 271.2882 13.43_317.1628m/z 317.1628 13.43 186.5075 175.9805 158.6026 164.4781 185.6206 169.3524 13.43_353.2161m/z 353.2161 13.43 189.4318 178.1955 197.8087 168.1002 189.5975 156.1152 13.43_425.1974m/z 425.1974 13.43 2515.3290 2371.6191 2471.2423 2461.1037 2452.4366 2499.5062 13.43_493.2240m/z 493.2240 13.43 268.6583 260.4041 248.6825 280.1732 265.4078 245.4014 13.43_536.2677m/z 536.2677 13.43 165.7596 138.8696 167.9201 132.3403 146.7165 132.5322 13.44_317.6617m/z 317.6617 13.44 6.1365 25.5751 21.4105 15.6909 13.0369 20.7604 13.44_379.2086m/z 379.2086 13.44 320.0340 267.9577 290.7123 257.3015 326.7503 270.5920 13.44_544.3027m/z 544.3027 13.44 158.6992 172.0818 179.8453 204.3375 187.8992 174.4696 13.44_584.2323m/z 584.2323 13.44 415.4771 369.6062 293.5328 283.3703 343.4817 306.2054 13.44_604.3230m/z 604.3230 13.44 893.6097 991.7806 916.9275 1072.7602 1055.9624 939.4757 13.45_171.1386m/z 171.1386 13.45 112.0469 90.7105 119.2531 99.3502 113.2592 109.8215 C10H20O2 Capric acid Capric acid 30813 HIGH 13.45_335.1027m/z 335.1027 13.45 3127.8567 2813.1465 3022.4069 2696.6237 2881.8677 2860.4965 13.45_366.1737n 347.1558 13.45 359.3782 323.4462 345.7249 369.2519 393.7826 354.9872 13.45_419.2013m/z 419.2013 13.45 116.6191 84.5188 67.0930 76.7036 98.3757 74.5526 13.45_423.0369m/z 423.0369 13.45 3194.0306 2756.3418 2875.1317 2484.8897 2737.0112 2775.2404 13.45_447.0883m/z 447.0883 13.45 187.7825 207.0065 201.4963 210.3651 183.4097 223.8995 13.45_466.2559m/z 466.2559 13.45 261.8222 279.2931 306.8445 286.6262 345.9589 328.4225 13.45_468.0728m/z 468.0728 13.45 137.2075 125.2179 111.5274 111.7046 118.2586 122.3207 13.45_539.2595m/z 539.2595 13.45 75.7627 72.8273 97.0938 70.3000 99.2972 78.4498 13.45_669.2549m/z 669.2549 13.45 306.2052 337.4117 363.2976 352.1060 355.5660 295.1314 13.45_731.2083m/z 731.2083 13.45 979.4205 809.4727 869.2809 815.8028 850.0711 887.2791 13.45_770.1491m/z 770.1491 13.45 1368.9709 1067.8826 1090.6696 908.4704 1051.6898 1017.2028 13.45_779.1051m/z 779.1051 13.45 82.3626 87.5366 96.7956 80.9959 79.8339 77.8959 13.45_803.0920m/z 803.0920 13.45 920.6611 677.0167 698.1249 589.9180 627.3206 629.4365 13.47_277.0770m/z 277.0770 13.47 947.8541 1443.8750 1056.8757 1211.1403 1301.1506 1574.7846 13.47_301.1000m/z 301.1000 13.47 33.7653 30.1597 30.4158 21.3821 37.0952 24.5480 13.47_406.0719m/z 406.0719 13.47 310.4225 316.6814 341.1122 293.1402 269.0967 309.1316 13.47_437.9864m/z 437.9864 13.47 1628.8941 1285.7766 1282.9745 1022.5270 1173.2058 1096.2799 13.47_439.9832m/z 439.9832 13.47 1471.9778 1152.0654 1143.3072 886.7962 1050.7149 1010.0859 13.47_441.9799m/z 441.9799 13.47 469.7769 333.6117 361.4013 315.9376 331.2647 310.7033 13.47_541.1135m/z 541.1135 13.47 222.0584 180.5644 207.0653 165.4510 212.1093 167.7721 13.47_690.1914m/z 690.1914 13.47 1757.0478 1711.3773 1814.8276 1664.0622 1670.6293 1745.6354 13.47_976.3413m/z 976.3413 13.47 495.8139 446.3393 460.3562 442.4540 458.1394 454.9540 13.47_993.3289m/z 993.3289 13.47 266.0671 203.2609 248.3378 211.1672 253.1030 183.9945 13.48_121.0296m/z 121.0296 13.48 5132.2808 5060.3783 5295.9646 5056.0891 5095.0132 5243.6414 C7H6O2 Benzoic acid Benzoic acid 30746 HIGH 13.48_127.1126m/z 127.1126 13.48 9521.7832 9384.2118 9841.5846 9371.6825 9455.1322 9775.1784 C8H16O 1-Octen-3-Ol 46735 HIGH 13.48_129.1282m/z 129.1282 13.48 788.9895 782.1330 794.0238 763.8612 773.4291 806.5512 13.48_134.0376m/z 134.0376 13.48 26371.8872 26202.5010 27267.5783 26226.5034 26466.1288 27511.7731 13.48_147.0087m/z 147.0087 13.48 2744.9650 2655.2820 2768.3293 2675.0634 2649.8282 2780.2573 13.48_154.8647m/z 154.8647 13.48 87.1440 75.8922 80.5362 62.2796 62.4834 76.8128 13.48_155.1073m/z 155.1073 13.48 50.0091 49.7075 52.1928 58.9358 52.0914 42.8120 C9H16O2 4-Hydroxynonenal 58968 HIGH 13.48_179.0345m/z 179.0345 13.48 563.0213 537.5379 578.9515 540.7555 525.5472 554.4771 C9H8O4 Monomethyl phthalate 491486 HIGH 13.48_203.1438m/z 203.1438 13.48 604.7920 589.5624 609.0697 577.8322 572.7611 622.1967 C14H20O "2,4-Di-tert-butylphenol" MEDIUM 13.48_205.1594m/z 205.1594 13.48 6495.6279 6435.8380 6722.4864 6380.0098 6467.4446 6691.3561 C14H22O 4-tert-octylphenol 140-66-9 HIGH 13.48_218.9226m/z 218.9226 13.48 150.4972 146.1510 157.9994 125.8683 154.2427 146.4840 13.48_220.9175m/z 220.9175 13.48 109.8525 99.5751 106.0964 84.3833 110.2595 114.8076 13.48_231.1385m/z 231.1385 13.48 754.7360 690.7338 775.9631 712.2836 727.5039 767.3780 C15H22O3 Gemfibrozil Gemfibrozil HMDB15371 MEDIUM 13.48_233.1546m/z 233.1546 13.48 31495.3083 30917.0026 32368.8748 30781.1351 31319.5901 32428.8896 C15H22O2 Scirpene MEDIUM 13.48_262.9948m/z 262.9948 13.48 3795.1843 3371.9097 3384.9034 2980.7326 3214.5079 3214.7111 13.48_264.9923m/z 264.9923 13.48 4720.4755 4182.8957 4198.5399 3678.2790 4025.7704 4058.3928 13.48_266.9899m/z 266.9899 13.48 3295.0224 2910.8443 2934.7222 2543.0755 2730.9242 2790.5645 C6H13MnO8 Manganese triacetate MEDIUM 13.48_268.9880m/z 268.9880 13.48 967.2226 892.4859 920.1068 817.5148 853.4263 875.5966 13.48_277.2271m/z 277.2271 13.48 5710.2867 5610.2132 5865.5376 5288.5239 5024.4336 5118.8440 13.48_277.2847m/z 277.2847 13.48 50892.2206 49592.9429 51213.7207 47938.3194 46167.8659 45445.7902 13.48_277.3275m/z 277.3275 13.48 9992.8099 9841.6955 9555.7908 8239.2628 6635.3328 3630.2709 13.48_277.3656m/z 277.3656 13.48 16575.7134 16250.5822 16720.9850 15176.6017 13624.0795 14019.7043 13.48_331.1538m/z 331.1538 13.48 356.5575 368.9916 377.3884 337.5785 348.0519 359.5653 C19H24O5 Trichothecin MEDIUM 13.48_361.1208m/z 361.1208 13.48 1421.9719 1657.1113 1790.6409 1796.4871 1736.6761 1832.4845 13.48_377.0688m/z 377.0688 13.48 9368.3190 8817.3314 8894.6227 8196.9120 8546.6295 8477.8922 13.48_394.0936n 375.0758 13.48 557.6335 529.8754 552.1992 474.7072 525.1256 494.6507 13.48_396.0433m/z 396.0433 13.48 2187.9556 1956.2285 1973.1601 1713.2884 1879.7755 1818.8516 13.48_411.0111m/z 411.0111 13.48 12763.8095 11065.6637 10968.9715 9836.2190 10616.8023 10527.3525 13.48_413.0082m/z 413.0082 13.48 16692.2816 14687.2435 14863.9432 12912.5413 14012.6002 14059.0801 13.48_415.0062m/z 415.0062 13.48 11852.0715 10447.6127 10610.1441 9282.0590 10023.7312 10028.0681 13.48_417.0047m/z 417.0047 13.48 5274.3626 4661.7069 4735.3650 4176.5327 4500.6649 4526.3828 13.48_434.0444m/z 434.0444 13.48 2621.9356 2245.7660 2333.0740 2084.4917 2226.4343 2186.1536 13.48_437.1020m/z 437.1020 13.48 3071.1583 3080.7030 3276.2480 3071.3109 3244.0438 3231.4369 13.48_451.1162m/z 451.1162 13.48 4288.6439 4267.0783 4500.4376 4168.3883 4266.0049 4415.2634 13.48_472.2531m/z 472.2531 13.48 196.5157 242.7915 232.0201 214.3062 221.2108 188.1614 13.48_497.2414m/z 497.2414 13.48 477.2134 464.0909 501.0222 477.9602 497.7468 525.1222 13.48_532.1464m/z 532.1464 13.48 231.3135 198.7828 197.2983 138.7595 209.2995 185.8960 13.48_550.8657m/z 550.8657 13.48 216.3510 142.2797 141.8328 110.3200 146.5328 132.2629 13.48_555.2958m/z 555.2958 13.48 956.3564 1021.6262 1002.2061 998.9662 945.2748 931.4266 13.48_556.9050m/z 556.9050 13.48 339.7536 245.9346 261.2307 201.3588 251.2633 239.8277 13.48_558.9024m/z 558.9024 13.48 339.9492 275.6501 262.8225 224.0234 229.0628 225.1511 13.48_560.9004m/z 560.9004 13.48 326.1083 241.7925 234.3358 181.9457 231.3481 200.4893 13.48_577.2773m/z 577.2773 13.48 146492.4585 143227.2842 150062.5288 141439.5040 144476.6027 149116.6506 13.48_593.2497m/z 593.2497 13.48 440.3102 457.2707 444.4058 476.4793 463.9601 416.5058 13.48_610.2742m/z 610.2742 13.48 52.2362 49.9530 71.4307 23.6736 49.0752 31.7229 13.48_617.2699m/z 617.2699 13.48 5034.9862 4948.1733 5411.4596 5175.0353 5176.2229 5344.9475 13.48_619.2662m/z 619.2662 13.48 29537.7348 32403.0291 34217.5843 34407.8141 33524.3851 34680.1436 13.48_625.2700m/z 625.2700 13.48 639.5950 597.7031 644.8770 626.8789 630.3806 640.1197 13.48_631.2857m/z 631.2857 13.48 2153.9910 2216.5531 2307.5239 2259.9257 2244.0512 2330.4459 13.48_636.2331m/z 636.2331 13.48 1251.6320 1159.9482 1215.4237 1136.9723 1204.6384 1185.7884 13.48_638.2183m/z 638.2183 13.48 18054.4529 17876.2459 18683.8405 17344.5180 17836.5438 17809.4870 13.48_645.2655m/z 645.2655 13.48 21006.8789 21024.4972 22237.9986 21466.6898 21633.0390 22237.8732 13.48_653.1859m/z 653.1859 13.48 18978.5368 18189.8369 18907.7305 17409.6468 18219.8028 18399.6864 13.48_655.1843m/z 655.1843 13.48 18955.6588 18016.0567 18766.5870 17318.2287 18086.2833 18215.3243 13.48_657.1832m/z 657.1832 13.48 17418.4066 16569.2116 17223.6181 15762.5373 16662.1611 16682.3742 13.48_676.2097m/z 676.2097 13.48 3874.5067 3606.4526 3689.3088 3241.5281 3528.9773 3457.5632 13.48_680.1612m/z 680.1612 13.48 8546.4551 7475.5961 7679.5543 6365.1484 7108.9646 6857.3640 13.48_682.1590m/z 682.1590 13.48 7094.7428 6102.3449 6398.9676 5393.5100 5880.5120 5781.5969 13.48_713.2013m/z 713.2013 13.48 1082.6067 902.1962 931.7410 877.1711 994.3903 922.6192 13.48_715.1575m/z 715.1575 13.48 1053.9015 788.8100 764.0434 673.6395 888.6961 703.2265 13.48_729.3529m/z 729.3529 13.48 1062.1950 1153.1549 1107.0089 1096.1043 1089.5226 1090.6528 13.48_77.0406m/z 77.0406 13.48 557.3111 559.3276 619.7344 567.4977 597.9428 612.8680 C6H8O "2,5-Dimethylfuran" MEDIUM 13.48_785.1198m/z 785.1198 13.48 874.2122 746.1616 716.8236 625.5428 717.9844 672.7009 13.48_787.0567m/z 787.0567 13.48 5673.6815 4406.9810 4414.3682 3556.5847 4034.1000 4034.3686 13.48_789.0527m/z 789.0527 13.48 12976.9779 10133.1271 10066.0607 8271.7126 9249.7212 9285.0537 13.48_791.0497m/z 791.0497 13.48 16303.4634 12586.4012 12574.6034 10212.0260 11706.5611 11644.2611 13.48_793.0478m/z 793.0478 13.48 21795.4694 16980.6938 16900.5671 13770.4428 15865.3193 15560.5938 13.48_802.1304n 801.0878 13.48 1767.7994 1319.8526 1325.9310 1141.1717 1247.0321 1226.4164 13.48_855.4166m/z 855.4166 13.48 7416.4176 7277.1579 7677.0593 7167.2001 7617.2363 7583.0535 13.48_875.4152m/z 875.4152 13.48 7863.9063 7924.4174 8426.8009 7931.8279 8282.4258 8229.0216 13.48_887.3674m/z 887.3674 13.48 2140.8573 2022.5733 2150.9707 2010.2721 2065.1269 2094.7518 13.48_890.4132n 871.3953 13.48 28965.1675 27756.3637 29444.2813 27322.7605 28542.4289 28783.4124 13.48_896.4308n 877.4129 13.48 101635.5842 105784.4061 112807.2425 109099.8805 109559.3262 112205.6439 13.48_903.4115m/z 903.4115 13.48 9825.8679 10027.5258 10651.8286 10121.8585 10434.3701 10459.5389 13.48_918.3888m/z 918.3888 13.48 6545.8546 6209.0867 6601.6434 6208.6801 6304.0915 6365.1031 13.48_922.3381m/z 922.3381 13.48 13357.0437 12569.5861 13299.1717 12005.1849 12566.4022 12455.5159 13.48_932.3675m/z 932.3675 13.48 3363.0421 3237.3228 3518.7888 3192.4072 3292.5775 3362.0481 13.48_953.3753m/z 953.3753 13.48 10312.0137 9966.6757 10541.5296 9685.7635 10230.0951 10303.1036 13.49_107.0504m/z 107.0504 13.49 1439.1178 1436.8570 1525.7631 1439.0596 1424.2765 1484.0373 C7H8O o-Cresol 28054 HIGH 13.49_136.0460m/z 136.0460 13.49 319.3973 311.4871 332.6073 317.4740 293.0292 304.6745 13.49_152.8666m/z 152.8666 13.49 108.6748 105.4883 100.8184 86.8412 102.1050 98.1483 13.49_277.1467m/z 277.1467 13.49 1052279.4373 1035645.9178 1085036.5365 1033929.9441 1050617.4382 1097887.2054 C16H22O4 Monoethylhexyl phthalic acid Monoethylhexyl phthalic acid HMDB13248 HIGH 13.49_505.1674m/z 505.1674 13.49 544.7497 544.1903 552.1640 484.0082 515.9908 516.4407 13.49_546.1182n 527.1003 13.49 403.9571 425.2024 463.9813 419.1861 397.8209 444.2296 13.49_694.2455m/z 694.2455 13.49 117.8713 141.3652 151.0419 144.4499 117.5026 132.6766 13.49_695.2476m/z 695.2476 13.49 10961.7302 11514.5023 12248.2824 11851.7910 11906.9712 12008.1703 13.49_721.2286m/z 721.2286 13.49 1609.3796 1458.0248 1515.9525 1379.1189 1443.2431 1464.4177 13.49_915.3994m/z 915.3994 13.49 189.5165 152.9391 166.2285 145.1505 223.8327 177.7809 13.50_287.2013m/z 287.2013 13.50 312.8508 303.0031 316.7298 306.6764 315.9118 335.4098 C19H28O2 Testosterone Testosterone 17347 MEDIUM 13.50_463.2324m/z 463.2324 13.50 305.5896 280.1034 290.2966 283.6788 286.0236 289.0021 13.50_507.2229m/z 507.2229 13.50 18949.4933 17988.6543 18323.6305 17711.0538 17823.4065 18221.4690 13.50_529.2042m/z 529.2042 13.50 2640.8667 2466.6643 2429.1709 2334.2245 2398.3058 2355.4307 13.50_709.2628m/z 709.2628 13.50 8727.5417 9019.3650 9470.3859 9096.9701 9272.5542 9433.9097 13.50_723.2550m/z 723.2550 13.50 2119.0182 1786.2411 1919.4382 1661.0036 2063.4909 1777.3664 13.50_735.2535m/z 735.2535 13.50 1882.7561 1820.1305 1918.5183 1698.3485 1782.2244 1760.1467 13.50_740.1761m/z 740.1761 13.50 517.9839 467.4788 494.6596 428.7941 461.2028 436.2432 13.50_823.3164m/z 823.3164 13.50 384.0146 364.1199 343.8315 326.5874 309.4287 333.5772 13.50_848.3518n 829.3339 13.50 771.1392 626.4728 616.7279 580.0158 585.3927 603.3820 13.50_917.4033m/z 917.4033 13.50 681.2219 615.0749 662.3088 584.3614 715.0152 596.7111 13.50_967.4062m/z 967.4062 13.50 3528.2323 3525.1458 3846.7874 3464.2813 3651.9343 3727.9684 13.50_981.4039m/z 981.4039 13.50 284.3958 246.2178 232.3770 213.3094 260.7760 245.6612 13.50_995.3668m/z 995.3668 13.50 286.6576 260.1509 299.2984 260.1115 263.0048 239.2710 13.51_255.1963m/z 255.1963 13.51 40.2228 25.1774 34.6083 33.6931 23.2181 37.6153 13.51_485.2192m/z 485.2192 13.51 531.1201 512.2155 538.9479 540.8503 524.3045 550.8505 13.51_503.3202m/z 503.3202 13.51 433.8462 405.1244 450.6143 445.3149 431.5617 463.2956 13.51_551.1873m/z 551.1873 13.51 261.4412 246.7118 240.2613 217.0132 249.6298 232.7998 13.51_635.2600m/z 635.2600 13.51 810.4153 745.1431 750.3286 720.5021 801.5950 740.6611 13.51_749.2636m/z 749.2636 13.51 731.6809 672.7226 643.6380 558.3174 635.2185 624.5338 13.51_754.2038m/z 754.2038 13.51 975.5978 835.1552 827.1928 685.8773 792.9336 769.3951 13.51_838.2884m/z 838.2884 13.51 171.6002 171.1335 183.0326 147.3204 113.4370 167.1243 13.51_943.4009m/z 943.4009 13.51 238.8645 228.1988 216.6934 193.2856 262.6779 243.7761 13.51_945.4015m/z 945.4015 13.51 1065.6101 993.6502 1037.0223 908.3673 1033.5150 984.5064 13.51_963.3532m/z 963.3532 13.51 1431.0809 1169.2166 1321.0648 1165.9398 1256.0331 1253.1675 13.51_982.3564m/z 982.3564 13.51 851.5786 751.6581 818.8997 720.1439 766.9958 766.1821 13.51_996.3632m/z 996.3632 13.51 1160.6125 1052.9854 1149.0247 940.2154 1048.8393 1050.2955 13.52_277.6063m/z 277.6063 13.52 4550.3623 4407.1457 4792.7228 4573.1933 4768.8212 5042.6808 13.52_311.2221m/z 311.2221 13.52 31720.3087 30070.3705 31933.4619 29795.6604 30704.9991 31872.2763 13.52_449.0925m/z 449.0925 13.52 736.2118 603.3730 596.4358 548.5807 654.6774 592.1641 13.52_611.3494m/z 611.3494 13.52 1234.9774 1098.0842 1179.0528 1052.4925 1182.4154 1154.3953 13.52_615.2709m/z 615.2709 13.52 459.3229 446.0700 463.0197 449.8871 445.9020 466.2530 13.52_651.3427m/z 651.3427 13.52 450.8471 486.4263 470.3392 450.0500 476.5428 474.1584 13.52_653.3446m/z 653.3446 13.52 544.1499 728.9845 836.4851 883.4843 800.7821 865.5537 13.52_662.2864n 643.2686 13.52 8584.8253 8059.1373 8370.0379 8018.7517 8413.4518 8531.3963 13.52_671.2633m/z 671.2633 13.52 4478.0829 4321.4575 4605.8387 4232.2514 4411.4818 4413.7601 13.52_677.3430m/z 677.3430 13.52 758.1768 678.7384 761.7191 663.7438 740.4460 694.0916 13.52_686.2383m/z 686.2383 13.52 4645.0556 4321.0962 4499.1202 4060.2633 4334.4960 4453.3640 13.52_700.2180m/z 700.2180 13.52 1591.9202 1408.5652 1530.0567 1384.1789 1428.7613 1480.4824 13.52_705.3368m/z 705.3368 13.52 346.5587 333.2104 377.1530 341.3065 364.3432 361.1482 13.52_743.3370m/z 743.3370 13.52 485.8936 523.4227 527.1612 440.7182 549.3142 482.4652 13.52_764.2131m/z 764.2131 13.52 380.3966 302.0797 322.6169 274.7017 323.1537 336.1317 13.52_779.1850m/z 779.1850 13.52 232.4783 120.3726 82.9761 95.6031 103.4785 102.2981 13.52_795.1379m/z 795.1379 13.52 258.0691 150.6951 132.3462 106.1173 161.0029 130.2418 13.52_821.1382m/z 821.1382 13.52 256.7233 111.1930 140.5761 68.5775 128.4223 100.3533 13.52_836.4689m/z 836.4689 13.52 527.1792 569.8602 485.1348 690.2881 604.7291 591.1192 13.52_909.4890m/z 909.4890 13.52 298.2359 366.2786 333.8035 329.7702 354.3135 373.3278 13.52_930.5056n 911.4878 13.52 3468.0861 4009.1105 4272.0842 4252.1926 4262.8691 4309.4420 13.52_937.4813m/z 937.4813 13.52 580.2595 517.7997 574.1627 478.7307 605.5166 512.2872 13.52_939.3813m/z 939.3813 13.52 1019.4625 975.2827 1001.8254 940.6601 928.9043 979.6654 13.52_987.4004m/z 987.4004 13.52 1283.7227 1104.2731 1124.2828 1035.3442 1174.9832 1061.4039 13.53_266.9123m/z 266.9123 13.53 32.0867 47.4900 32.0856 28.3171 47.7898 36.9198 13.53_294.2070m/z 294.2070 13.53 98.2714 86.0286 87.5961 86.2366 89.4214 72.3098 13.53_337.1008m/z 337.1008 13.53 1318.5388 1124.0199 1262.4029 1134.2006 1215.1823 1232.8344 13.53_359.1280m/z 359.1280 13.53 649.8968 656.4958 640.0133 670.4866 711.2641 687.2441 13.53_379.2089m/z 379.2089 13.53 647.5412 606.8825 683.3585 699.9023 595.7316 651.7386 C20H32N2O3S Carbosulfan 38476 MEDIUM 13.53_383.1256m/z 383.1256 13.53 542.3128 512.0398 533.3788 477.4928 467.2392 492.5726 13.53_385.1243m/z 385.1243 13.53 7245.5558 6940.1448 7480.9332 6999.2828 7172.2152 7537.7237 13.53_387.1199m/z 387.1199 13.53 7026.2335 7097.7466 7623.6842 7171.0660 7484.9094 7589.8154 13.53_403.1190m/z 403.1190 13.53 281.6211 271.1313 316.5027 226.3528 312.8927 290.7688 13.53_411.1228m/z 411.1228 13.53 2659.0187 2377.4216 2610.4159 2343.2851 2448.8107 2517.1463 13.53_419.2012m/z 419.2012 13.53 516.3226 504.4984 519.8612 494.1174 476.6931 518.4267 13.53_421.1983m/z 421.1983 13.53 215.6514 262.9474 304.9279 303.9496 285.0406 299.0320 13.53_441.1577m/z 441.1577 13.53 440.7706 455.1278 441.2668 374.1671 417.3349 452.2663 13.53_445.1991m/z 445.1991 13.53 277.2921 296.3313 315.5646 362.9576 271.7270 272.9571 13.53_447.0846m/z 447.0846 13.53 362.2268 309.0831 317.5907 229.4610 274.3392 308.4884 13.53_447.1977m/z 447.1977 13.53 522.7914 500.7745 533.7851 518.6043 524.7414 555.6175 13.53_455.1037m/z 455.1037 13.53 941.3299 854.7433 888.5050 793.3491 807.0356 831.8077 13.53_461.1077m/z 461.1077 13.53 656.9646 507.4134 573.5333 496.8070 549.7894 542.8410 13.53_464.1042n 463.1023 13.53 3672.4422 3441.3724 3551.3400 3328.1822 3461.5948 3391.2167 13.53_468.0715m/z 468.0715 13.53 628.6447 600.5694 623.1186 531.2609 557.8712 585.4595 13.53_477.1164m/z 477.1164 13.53 2163.6408 2023.6635 2120.6373 1972.5442 2054.8459 2030.5224 13.53_663.2155m/z 663.2155 13.53 3550.2776 3280.1825 3510.8539 3177.8252 3360.7942 3411.9133 13.53_679.3418m/z 679.3418 13.53 1669.0895 1632.4140 1772.7769 1690.6863 1759.8074 1689.8457 13.53_690.2470m/z 690.2470 13.53 314.8116 237.7402 225.2646 177.4057 282.9538 235.1541 13.53_691.2643m/z 691.2643 13.53 1374.2569 1094.1233 1047.8118 962.9226 1257.5127 949.5873 13.53_760.2897n 759.2380 13.53 350.2675 247.9849 248.2683 145.6534 192.8109 174.7584 13.53_805.1366m/z 805.1366 13.53 179.1898 98.6899 87.9860 47.8873 66.1634 78.9016 13.54_307.1900m/z 307.1900 13.54 353.7297 367.2241 361.8733 340.3670 343.9352 358.7646 13.54_345.1324m/z 345.1324 13.54 18105.7709 16677.4901 17614.8417 16067.9409 16844.0612 17354.7841 13.54_432.1364n 413.1186 13.54 9304.3595 8556.5852 9500.7994 8829.6598 8880.2653 9282.7247 13.54_489.0804m/z 489.0804 13.54 608.9253 467.4432 461.9586 418.5170 488.9332 433.8906 13.54_503.0876m/z 503.0876 13.54 279.2493 253.7974 288.6375 202.1802 280.5722 258.3404 13.54_627.3733m/z 627.3733 13.54 6497.1899 6449.1345 6545.3962 6788.8921 6539.3300 6593.9128 13.54_630.2982m/z 630.2982 13.54 396.3269 371.6632 364.2414 362.6055 336.7050 371.9650 13.54_665.2115m/z 665.2115 13.54 3645.8055 3289.1713 3502.4448 3216.4639 3314.8119 3373.1677 13.54_707.2437m/z 707.2437 13.54 1313.1972 1214.8989 1291.8679 1147.7709 1219.3653 1250.5504 13.54_733.2016m/z 733.2016 13.54 739.0297 714.9685 685.6798 587.9309 624.8655 616.9593 13.54_775.2149m/z 775.2149 13.54 589.7873 456.6663 425.2631 365.7801 461.5969 396.1304 13.54_781.2051m/z 781.2051 13.54 319.6763 232.5032 258.0810 146.6727 239.6384 209.7994 13.56_273.0234m/z 273.0234 13.56 350.1588 261.5077 282.2847 236.5714 249.0512 263.6314 13.56_275.0211m/z 275.0211 13.56 328.9993 279.4825 301.6643 258.3327 264.7630 311.4479 13.56_283.1907m/z 283.1907 13.56 866.1699 866.3708 857.1530 848.9053 849.1122 853.4920 13.56_304.1673m/z 304.1673 13.56 94.0736 106.3552 103.6620 90.9425 95.5090 105.7606 13.56_391.1228m/z 391.1228 13.56 1367.3509 1256.3152 1382.0749 1291.8023 1260.8327 1254.1810 13.56_400.1421m/z 400.1421 13.56 117.5922 87.4744 100.4054 108.1766 104.6492 107.2480 13.56_407.0983m/z 407.0983 13.56 2841.7145 2674.1915 2798.3521 2547.8730 2625.9636 2710.1058 13.56_421.0390m/z 421.0390 13.56 3179.3459 2757.9936 2907.1447 2424.0133 2743.4149 2690.0287 13.56_425.0376m/z 425.0376 13.56 3320.4331 2789.8442 3023.3222 2543.8604 2847.2220 2769.6248 13.56_428.1130m/z 428.1130 13.56 628.8181 535.1367 578.4460 451.2091 518.4701 451.4284 13.56_499.0575m/z 499.0575 13.56 581.1750 476.7858 523.9791 426.6689 469.6921 449.2363 13.56_608.3380m/z 608.3380 13.56 1573.8407 1612.0137 1546.3901 1509.2787 1569.1851 1649.2934 13.57_118.9275m/z 118.9275 13.57 8.8090 12.5028 15.7398 19.4939 20.9640 10.1866 13.57_295.1901m/z 295.1901 13.57 589.8320 592.0924 649.2134 611.3782 585.7799 694.1259 13.57_303.6666m/z 303.6666 13.57 265.1108 254.1749 230.3584 220.8497 231.3714 247.3179 13.57_375.1865m/z 375.1865 13.57 347.2522 333.6003 345.1556 298.3355 363.1561 388.7474 13.57_494.1185n 475.1006 13.57 1949.8627 1638.4804 1714.3111 1449.7127 1583.3914 1616.0860 13.57_501.0547m/z 501.0547 13.57 434.5390 350.0243 354.0512 305.4689 331.5624 295.1233 13.58_271.1911m/z 271.1911 13.58 283.0462 255.3827 294.1682 269.2318 280.1797 277.2766 13.58_335.2218m/z 335.2218 13.58 436.3659 477.2354 546.1807 562.8227 475.9575 540.2664 13.58_459.1167m/z 459.1167 13.58 604.1174 538.9156 581.8448 442.7508 483.0009 484.9757 13.59_350.2088m/z 350.2088 13.59 1041.1178 1001.7092 908.0034 1015.9391 1004.7733 1012.5309 13.59_458.0946m/z 458.0946 13.59 157.8308 96.5522 133.5743 107.9428 104.1305 116.6699 13.59_528.1996m/z 528.1996 13.59 135.6993 136.0103 122.5468 127.8704 115.6323 96.7035 13.60_230.1542m/z 230.1542 13.60 79.0068 87.9989 79.8455 94.1906 80.5202 88.7313 13.60_249.1128m/z 249.1128 13.60 198.1907 191.4239 209.3058 174.7125 200.6585 190.3154 C14H18O4 Ubiquinone-1 Ubiquinone-1 HMDB02012 MEDIUM 13.60_268.6380m/z 268.6380 13.60 84.1510 67.4856 78.1825 68.9729 64.4910 63.7006 13.60_281.1351m/z 281.1351 13.60 903.8576 922.9295 864.4615 905.7685 924.7726 944.9891 13.60_581.2612m/z 581.2612 13.60 86.9539 94.6975 86.0190 82.4518 115.1996 108.7049 13.60_650.2761m/z 650.2761 13.60 25.0227 76.8037 18.9294 52.3207 61.0948 40.7162 13.61_448.3064m/z 448.3064 13.61 68157.4602 67924.1801 68379.0419 70386.6984 69195.2057 71474.9801 13.61_486.2553m/z 486.2553 13.61 100.3988 124.4562 95.6983 102.1098 125.5480 118.6744 13.61_503.3185m/z 503.3185 13.61 797.6889 811.4953 802.2850 765.4245 729.6998 793.6085 13.61_506.2652m/z 506.2652 13.61 441.9763 416.1269 430.6685 413.4091 416.2874 420.7046 13.61_511.2878n 492.2700 13.61 1204.8511 1131.2259 1136.6235 1148.2849 1115.4997 1049.7969 13.61_516.2906m/z 516.2906 13.61 4637.9648 4429.9956 4441.2568 4400.4586 4452.7203 4473.3768 13.61_532.2603m/z 532.2603 13.61 652.3752 689.1192 617.8169 707.8906 621.2668 722.0923 13.61_544.3000m/z 544.3000 13.61 325.5989 392.2157 374.3467 478.5771 322.8369 402.4906 13.61_548.2170m/z 548.2170 13.61 2096.9091 1978.3034 1877.4433 1796.0976 1860.7052 1783.0558 13.61_557.2945n 556.2716 13.61 2292.3099 2273.1916 2314.4732 2382.9501 2290.6243 2311.9827 13.61_565.2155n 546.1977 13.61 1013.9939 914.6914 855.7700 888.4478 967.5553 849.1012 13.61_582.1798m/z 582.1798 13.61 342.3428 283.0420 266.4940 289.9966 286.0008 274.4014 13.61_586.1743m/z 586.1743 13.61 472.4724 442.4637 393.1320 379.7135 471.9118 416.9657 13.61_594.2570m/z 594.2570 13.61 169.0874 156.5259 116.7920 133.8098 148.6609 110.7877 13.61_604.3218m/z 604.3218 13.61 1605.2060 1926.9617 1785.6469 2101.1999 1787.8034 1917.0155 13.61_748.4389m/z 748.4389 13.61 1233.7768 1178.1262 1145.5986 1132.5663 1114.0628 1144.5825 13.61_816.4245m/z 816.4245 13.61 131.6329 168.3895 162.5444 126.7230 153.8880 142.0362 13.62_359.2144m/z 359.2144 13.62 529.9764 545.6518 569.5530 560.8440 549.8697 603.7017 13.62_596.2266m/z 596.2266 13.62 260.7108 181.7399 176.8505 196.6560 186.8783 206.2382 13.62_603.2837n 584.2659 13.62 1011.7325 1037.3755 1004.0785 978.7975 941.3026 995.6228 13.62_615.2091m/z 615.2091 13.62 188.4623 126.2265 120.4245 64.7391 124.0068 77.1819 13.63_185.1543m/z 185.1543 13.63 125.4011 120.6692 118.6694 107.1002 119.6340 114.4547 13.64_481.2788m/z 481.2788 13.64 4949.2628 4998.3073 4987.1098 5160.9518 5089.5390 5159.9802 13.65_221.1543m/z 221.1543 13.65 2370.8218 2084.3895 2346.0458 1989.9672 2133.1385 2209.8804 13.65_445.2256m/z 445.2256 13.65 672.8356 740.2407 696.1137 710.3178 736.2239 688.8296 13.65_534.2498m/z 534.2498 13.65 2781.4396 2438.9814 2269.6324 2139.2626 2284.3222 2271.1345 13.66_255.6302m/z 255.6302 13.66 4657.0196 4097.0286 3890.1667 3718.6751 3942.5181 4023.8582 13.66_256.1320m/z 256.1320 13.66 1412.8204 1292.2040 1208.3699 1157.9133 1188.6745 1191.9800 13.66_289.6234m/z 289.6234 13.66 162.8553 118.4857 103.4703 102.3184 106.8028 107.4500 13.66_305.1054m/z 305.1054 13.66 102.4396 91.1854 94.6572 78.0162 112.0191 90.4157 13.66_381.2259m/z 381.2259 13.66 329.2255 319.8537 334.1378 371.4375 342.7609 325.3194 13.66_397.2201m/z 397.2201 13.66 2558.0040 2436.1542 2412.4173 2351.0213 2475.7969 2494.3396 13.66_432.3098m/z 432.3098 13.66 669.0590 661.5579 661.0933 667.4828 740.9010 744.1692 13.66_437.2336m/z 437.2336 13.66 1101.1476 1004.9454 1015.2272 1009.6826 958.0810 1048.9331 13.66_512.2677m/z 512.2677 13.66 16182.3925 14824.5896 14585.5362 13979.5071 14692.2439 14824.4186 13.66_611.3139m/z 611.3139 13.66 292.6677 292.7196 293.0027 290.6756 295.1181 306.0726 13.67_126.9794m/z 126.9794 13.67 98.8674 101.8914 101.9955 76.0534 119.4464 116.9155 13.67_265.1542m/z 265.1542 13.67 83.4805 67.5362 74.8484 77.6082 66.8993 70.7659 13.67_625.3573m/z 625.3573 13.67 1462.3156 1389.7287 1426.5590 1359.2417 1426.3678 1423.5444 13.68_377.2306m/z 377.2306 13.68 332.8297 246.6363 331.6824 251.0339 243.3662 237.6646 13.68_467.2282m/z 467.2282 13.68 227.0892 198.9000 214.3990 162.1929 217.7046 186.7445 13.69_407.2791m/z 407.2791 13.69 4961.7308 4835.9229 4816.8744 4717.2815 4992.9436 5069.8217 C24H40O5 Cholic acid Cholic acid HMDB00619 HIGH 13.69_443.2520m/z 443.2520 13.69 250.6398 292.4376 294.2158 283.9226 246.8094 328.1476 13.69_465.2207m/z 465.2207 13.69 398.2831 373.3165 346.4377 375.2520 361.3163 385.4520 13.69_472.2913n 453.2735 13.69 846.7096 776.5094 818.9344 820.0364 780.5333 830.9893 13.69_475.2634m/z 475.2634 13.69 685.6286 697.4769 695.3843 728.6338 644.2487 724.3780 13.69_491.2313m/z 491.2313 13.69 155.2336 188.0119 167.7797 188.6382 158.3617 164.4782 13.70_361.2331m/z 361.2331 13.70 343.9345 375.9524 368.3184 397.7334 428.9467 361.8566 13.71_241.1799m/z 241.1799 13.71 246.8799 231.1430 230.9597 215.9268 227.0392 246.1788 13.72_202.9250m/z 202.9250 13.72 140.9759 108.4383 78.0324 84.2474 99.8108 92.3464 13.72_243.1952m/z 243.1952 13.72 261.6360 237.0152 280.7023 233.1885 226.7311 287.8522 13.72_597.3243m/z 597.3243 13.72 46.5597 64.7287 54.4694 55.8206 63.5576 84.3046 13.73_391.2844m/z 391.2844 13.73 5401.7929 5099.1777 4934.2310 4759.3198 5004.7255 5187.9529 C24H40O4 Chenodeoxycholic acid Chenodeoxycholic Acid HMDB00518 HIGH 13.73_437.2878m/z 437.2878 13.73 1720.9590 1447.0201 1367.1763 1311.1457 1552.2128 1411.2711 13.73_451.2088m/z 451.2088 13.73 706.6292 594.5774 606.2731 576.5036 685.0467 639.4151 13.73_459.2728m/z 459.2728 13.73 678.7572 626.9898 614.6667 572.3302 622.0699 616.9655 13.73_498.2885m/z 498.2885 13.73 18438.8055 18051.9455 17649.1702 18698.1292 17938.3316 18512.2850 13.73_521.2596m/z 521.2596 13.73 484.7718 449.1124 493.0957 474.6623 411.0113 468.5351 13.73_606.3352m/z 606.3352 13.73 526.0701 540.1819 466.3093 582.6010 548.1758 532.4708 13.73_663.3564m/z 663.3564 13.73 235.1048 241.3192 260.0705 233.4795 236.2777 244.8349 13.74_255.1979m/z 255.1979 13.74 205.5998 184.7811 201.6038 175.2543 190.9045 179.4054 13.74_257.2107m/z 257.2107 13.74 139.3693 138.0936 147.2841 128.5494 150.3811 127.4158 13.74_335.2206m/z 335.2206 13.74 641.9170 669.8808 715.6601 651.6068 722.3319 639.7620 13.75_604.3205m/z 604.3205 13.75 655.1041 697.1109 536.0091 749.3832 736.2387 667.7884 13.76_315.2527m/z 315.2527 13.76 1732.6134 1580.5630 1925.8014 1733.3632 1748.1430 1753.3837 13.76_544.2992m/z 544.2992 13.76 237.2819 224.6997 223.2093 281.9919 292.8756 150.2719 13.76_567.3149m/z 567.3149 13.76 5480.3797 5076.5096 5036.8876 4831.8638 5078.9691 5241.5876 13.76_589.2944m/z 589.2944 13.76 764.7591 655.2310 630.2080 596.2155 686.5265 624.3576 13.78_196.9679m/z 196.9679 13.78 54.6019 78.9498 46.4403 50.1167 44.8075 45.7747 13.78_269.2098m/z 269.2098 13.78 702.9784 697.8697 716.2098 677.3431 705.3143 683.6366 13.78_309.6662m/z 309.6662 13.78 268.7977 272.2041 263.1813 263.9985 279.4521 277.9899 13.78_388.1534m/z 388.1534 13.78 250.6840 242.3974 274.6771 238.3113 252.4533 256.2616 13.78_393.2352m/z 393.2352 13.78 138.3412 153.8921 76.9761 110.2697 138.9398 116.3907 13.78_493.2725m/z 493.2725 13.78 483.2485 426.5264 417.2799 423.3951 456.8744 436.5358 13.78_620.3353m/z 620.3353 13.78 364.1055 362.8239 413.5233 391.6899 393.9729 414.3431 13.78_630.3306m/z 630.3306 13.78 342.6890 411.9626 334.0385 423.3060 339.2321 376.8689 13.79_611.3746m/z 611.3746 13.79 649.5308 653.1950 607.6902 634.2697 662.0102 634.8568 13.80_265.1535m/z 265.1535 13.80 281.5285 230.9658 263.5686 224.0737 247.3469 256.5510 C14H22N2O3 Atenolol Atenolol 2904 MEDIUM 13.81_503.3178m/z 503.3178 13.81 919.8458 916.9491 876.7551 893.7602 880.7020 908.5377 13.82_285.2059m/z 285.2059 13.82 312.1150 295.2881 307.2863 308.7615 312.2244 313.9036 C16H30O4 "2,2,4-Trimethyl-1,3-pentadienol diisobutyrate" MEDIUM 13.82_479.2979m/z 479.2979 13.82 622.7254 620.5618 613.7578 613.5526 660.1785 663.6616 13.82_524.2693m/z 524.2693 13.82 261.6134 198.2354 150.8278 171.3921 220.0321 173.1732 13.82_597.3572m/z 597.3572 13.82 277.8852 311.1306 264.1486 324.9330 297.1581 302.6569 13.83_431.3139m/z 431.3139 13.83 1308.6481 1291.8950 1260.7716 1207.6959 1273.0815 1369.4231 C27H46O5 "3a,7a,12a-Trihydroxy-5b-cholestanoic acid" 48043 MEDIUM 13.83_448.3057m/z 448.3057 13.83 21311.8521 21195.2467 21182.1807 21778.4195 21683.7881 22066.0547 13.83_506.2653m/z 506.2653 13.83 545.3611 523.4254 501.8613 547.9142 536.2469 612.5367 13.83_511.2859n 510.2340 13.83 586.4818 558.8849 562.2760 531.9769 571.9281 497.2451 13.83_516.2910m/z 516.2910 13.83 1758.8927 1682.0339 1624.9812 1670.2957 1689.7891 1675.3913 13.83_532.2578m/z 532.2578 13.83 617.3774 589.4733 580.1403 590.6975 585.9400 690.4238 13.83_548.2214m/z 548.2214 13.83 421.3928 445.2417 388.9635 434.3560 402.2664 429.0750 13.83_557.2924n 538.2746 13.83 549.9281 532.0136 530.0153 507.2423 502.8662 571.9277 13.83_578.2614m/z 578.2614 13.83 379.0200 358.5570 324.3243 324.3228 328.9922 312.8049 13.83_584.2638m/z 584.2638 13.83 391.6101 410.2164 391.3907 358.2700 359.9328 360.0184 13.83_586.1867m/z 586.1867 13.83 73.4157 72.2464 49.5858 74.0264 79.6729 82.4036 13.83_606.3352m/z 606.3352 13.83 765.9549 766.9194 640.1332 824.7051 827.5813 745.2237 13.83_646.2461m/z 646.2461 13.83 135.3274 110.9264 132.0968 116.2363 113.4344 81.7141 13.84_445.2795m/z 445.2795 13.84 1099.8782 1158.1177 1130.8052 1183.7517 1157.4340 1197.8827 13.84_488.2966m/z 488.2966 13.84 117.5750 150.9988 157.2849 169.6633 111.0475 166.9580 13.84_519.3140m/z 519.3140 13.84 1121.2960 1118.0709 1120.9997 1129.9719 1147.7036 1162.9424 13.84_547.2443m/z 547.2443 13.84 217.2618 185.3934 176.9340 178.8082 201.9536 184.4757 13.85_541.2911m/z 541.2911 13.85 179.7859 187.1119 128.7790 223.3832 247.3920 189.0175 13.85_635.2917m/z 635.2917 13.85 177.2389 224.1412 219.8781 216.1596 218.8080 219.1230 13.86_398.2088m/z 398.2088 13.86 224.6029 225.8021 174.0944 210.3298 200.4426 238.8629 13.88_456.2703m/z 456.2703 13.88 181.0404 155.1172 175.0575 190.1991 195.8234 205.2702 13.88_553.3183m/z 553.3183 13.88 216.4950 145.9041 119.8549 103.0894 131.3074 160.6785 13.90_336.2269n 335.2156 13.90 423.7720 412.0521 462.9500 439.7016 424.0110 457.5371 13.90_349.2074m/z 349.2074 13.90 225.0470 201.6711 145.5259 168.1721 230.1464 196.3728 13.90_471.2579m/z 471.2579 13.90 602.5075 597.8790 570.1360 608.9704 578.5065 608.6045 13.91_291.1771m/z 291.1771 13.91 595.6082 635.7711 633.5367 613.3077 645.1599 614.2867 C21H26O2 Mestranol 6784 MEDIUM 13.91_413.2861m/z 413.2861 13.91 225.3044 271.4607 223.3487 279.2228 249.9822 254.7784 13.91_473.2748m/z 473.2748 13.91 1516.7616 1568.5529 1589.2697 1629.4385 1585.7412 1487.4274 13.91_483.2959m/z 483.2959 13.91 969.8098 964.6354 990.3096 1007.2414 1045.0778 983.7730 13.91_585.2829m/z 585.2829 13.91 518.8014 487.8246 512.2816 503.5781 496.0874 506.9435 13.92_318.1681m/z 318.1681 13.92 857.0917 979.1958 1020.5494 1023.6035 948.7788 1005.5670 13.92_637.3406m/z 637.3406 13.92 613.9516 681.6611 625.5272 655.9128 649.7325 647.1577 13.93_235.1694m/z 235.1694 13.93 328.7504 326.4496 323.4769 326.1109 325.6668 334.7997 13.93_294.2187n 293.2110 13.93 14553.4040 14512.2388 14800.6307 14446.9113 14575.8532 15304.4215 13.93_336.1598m/z 336.1598 13.93 1241.6390 1220.4722 1339.5397 1275.4974 1237.2431 1336.2158 13.93_337.6865n 318.6687 13.93 262.9947 251.9322 239.9594 229.0228 209.2960 233.9987 13.93_491.2778m/z 491.2778 13.93 203.0684 213.9227 227.1682 200.2904 187.9651 185.0490 13.93_505.3336m/z 505.3336 13.93 190.1782 190.0158 193.7279 220.8107 231.0555 216.6902 13.93_626.3621n 625.3558 13.93 1150.3453 1121.4336 1153.0411 1153.2014 1157.0221 1127.2042 13.93_659.3182m/z 659.3182 13.93 118.0164 130.2155 120.9857 128.7036 114.6037 125.9118 13.94_241.1803m/z 241.1803 13.94 871.9585 861.3782 865.1470 846.6456 884.3953 833.1103 13.94_351.1727m/z 351.1727 13.94 408.4259 434.4011 388.1606 405.5686 440.5101 415.0119 13.94_361.2037m/z 361.2037 13.94 1293.1991 1362.1643 1298.6269 1255.3554 1321.8791 1339.3853 C21H30O5 18-Hydroxycorticosterone 16485 MEDIUM 13.94_381.2026m/z 381.2026 13.94 896.5565 895.2339 964.8621 955.4613 970.3684 948.0474 13.94_384.1944m/z 384.1944 13.94 146.2148 157.9999 173.5621 148.0828 147.7062 137.4363 13.94_410.1218n 409.1896 13.94 450.1409 501.7945 499.1546 468.6117 437.6248 547.3378 13.94_663.3542m/z 663.3542 13.94 325.6254 368.0609 356.7248 372.4226 353.3868 397.6514 13.95_313.1842m/z 313.1842 13.95 397.8346 374.8756 431.4359 402.8753 418.7370 396.1423 13.96_331.6756m/z 331.6756 13.96 70.9226 64.0380 29.5086 51.3272 54.9640 34.4253 13.96_341.1790m/z 341.1790 13.96 619.9364 512.8784 564.4104 514.1042 583.4026 644.3438 13.96_376.2240m/z 376.2240 13.96 3479.7965 3662.8316 3673.7908 3851.7420 3634.3104 3701.1956 13.96_444.2231m/z 444.2231 13.96 339.0645 393.7475 366.7644 402.8844 402.8712 347.7384 13.96_504.3256m/z 504.3256 13.96 46.4113 61.0622 66.5686 57.2048 60.1349 45.8723 13.97_365.2087m/z 365.2087 13.97 112.5289 83.7871 85.3756 97.0744 109.3822 100.4427 13.98_296.2305m/z 296.2305 13.98 321.2456 319.6905 335.5841 316.8862 324.8494 330.7224 13.98_364.2253m/z 364.2253 13.98 45.2012 24.8583 41.3601 29.4419 42.9256 36.5162 14.00_493.2459m/z 493.2459 14.00 193.4085 201.5506 190.6125 183.2320 185.9682 180.6642 14.01_498.2888m/z 498.2888 14.01 8049.4854 8244.8684 8310.1256 8565.6587 8180.7688 8286.9982 14.01_566.2737m/z 566.2737 14.01 232.5485 273.9230 225.5771 270.5078 233.6136 279.8364 14.02_301.1670m/z 301.1670 14.02 28.7541 48.4856 22.6690 61.1721 28.6676 47.3565 14.02_471.2446m/z 471.2446 14.02 720.6522 719.6035 720.1334 682.5363 688.3536 706.9178 14.03_110.9429m/z 110.9429 14.03 79.7840 48.4216 68.8404 56.1300 62.3036 75.3740 14.03_237.1490m/z 237.1490 14.03 261.6267 295.9048 269.3501 261.2785 261.6178 273.1028 14.03_297.2037m/z 297.2037 14.03 1229.7356 1220.5120 1227.2704 1251.7894 1220.3424 1260.4439 14.03_584.3526m/z 584.3526 14.03 303.3568 381.5221 323.3052 394.2933 369.9719 355.4736 14.04_207.1375m/z 207.1375 14.04 127.9498 115.9456 137.6851 111.9287 123.1714 121.2677 14.04_309.2053m/z 309.2053 14.04 8803.2807 8848.4515 9129.5392 8737.1746 8615.6600 9049.4090 14.04_323.2199m/z 323.2199 14.04 337.6536 329.0253 332.2535 327.5478 322.8006 331.4518 14.04_331.1835m/z 331.1835 14.04 1588.9894 1564.9036 1630.1093 1560.5448 1584.1509 1672.9286 14.04_386.1975m/z 386.1975 14.04 475.6940 561.3897 444.3206 476.5117 439.8022 487.6504 14.04_405.2120m/z 405.2120 14.04 285.3004 285.0982 281.2115 286.6152 289.3317 308.3501 14.04_418.2037n 417.1239 14.04 1140.5233 1147.4557 1241.2420 1207.8890 1166.8310 1241.3208 14.04_423.1786m/z 423.1786 14.04 300.9288 312.2054 310.4136 281.6835 308.3388 307.0376 14.04_425.1704m/z 425.1704 14.04 344.8189 321.7522 322.7438 371.9485 341.1645 361.3238 14.05_269.2117m/z 269.2117 14.05 3554.5611 3531.6060 3661.1438 3426.5150 3549.8170 3586.8327 14.05_313.2352m/z 313.2352 14.05 518.6707 499.5498 551.5487 503.6441 528.4898 521.1025 14.05_315.2535m/z 315.2535 14.05 11938.9172 11476.1517 12194.9837 11656.9512 11902.6928 12179.6893 14.05_337.2137m/z 337.2137 14.05 544.0178 456.9754 508.1175 507.7251 522.3709 513.1734 14.05_359.2165m/z 359.2165 14.05 813.4327 851.8672 899.6115 877.1742 854.5115 894.8606 14.05_373.1946m/z 373.1946 14.05 382.4875 367.7431 385.0141 364.8876 348.2614 399.7172 14.05_380.1999m/z 380.1999 14.05 25.1303 29.9391 42.3238 28.5390 37.5168 37.2839 14.05_383.2354m/z 383.2354 14.05 951.9859 854.2552 900.5211 875.7971 929.5839 926.5977 14.05_413.1397m/z 413.1397 14.05 444.3083 483.5471 509.0008 497.2222 520.8729 510.2724 14.05_416.2017n 415.1254 14.05 892.2522 988.9693 974.3442 943.7541 926.9646 982.1197 14.05_427.1784m/z 427.1784 14.05 152.9273 149.3373 184.6245 162.7360 167.2349 158.7942 14.05_451.1128m/z 451.1128 14.05 337.3882 402.1503 404.7020 434.0746 391.0209 400.2714 14.06_214.9572m/z 214.9572 14.06 87.0643 44.6302 69.4806 48.6650 48.9102 51.3880 14.06_264.8376m/z 264.8376 14.06 102.1741 93.2346 108.4595 94.2546 88.7825 112.8853 14.06_507.2861m/z 507.2861 14.06 837.3041 916.9041 835.0320 1128.3503 1069.8477 1134.8061 14.07_197.1542m/z 197.1542 14.07 438.2379 452.7589 494.7715 439.6353 461.4323 477.9596 14.07_265.1491m/z 265.1491 14.07 148.9212 154.6419 166.3439 149.3093 157.4460 153.9156 14.07_453.2314m/z 453.2314 14.07 2900.3516 2955.2053 2972.1794 3003.5233 2941.0873 3117.5832 14.08_255.2100m/z 255.2100 14.08 310.5884 287.1502 343.4847 278.3007 284.0801 292.3533 14.08_263.1986m/z 263.1986 14.08 87.8561 89.3527 94.5598 75.3645 70.2340 78.0945 14.08_285.2064m/z 285.2064 14.08 1626.4382 1586.2997 1650.0175 1602.9582 1628.5586 1744.8222 C16H30O4 "2,2,4-Trimethyl-1,3-pentadienol diisobutyrate" MEDIUM 14.08_307.1845m/z 307.1845 14.08 267.5725 222.6400 236.8174 208.5618 291.8254 269.5132 14.08_333.2042m/z 333.2042 14.08 1046.3470 1046.9674 1041.8990 1023.5792 1053.0906 1068.2405 14.08_407.1930m/z 407.1930 14.08 270.5766 299.3139 314.0178 317.9035 356.6020 322.8833 14.08_607.3448m/z 607.3448 14.08 866.1574 913.0993 855.1214 854.6803 871.5798 911.6500 14.08_635.2811m/z 635.2811 14.08 143.7191 170.7003 201.3438 238.0047 219.0403 228.7857 14.09_300.2078m/z 300.2078 14.09 147.6717 144.4082 139.6133 149.6448 124.1885 142.7971 14.09_317.2116m/z 317.2116 14.09 8691.0319 8725.9050 8694.3525 8661.0391 8654.5786 8828.9207 14.09_349.1888m/z 349.1888 14.09 201.4733 209.7167 208.4521 237.3784 200.7371 256.0774 14.09_506.3453m/z 506.3453 14.09 96.8749 104.2506 91.9621 111.5679 82.4507 103.4638 14.10_233.1891m/z 233.1891 14.10 354.5403 243.5894 325.3824 220.8068 330.0146 287.7702 C16H26O "2,6-Di-tert-butyl-4-ethylphenol" MEDIUM 14.10_250.1444m/z 250.1444 14.10 8657.8734 9002.6295 9561.0930 8727.7641 8804.7883 8279.0191 C15H19N5 Rizatriptan 48273 MEDIUM 14.10_277.1796m/z 277.1796 14.10 2693.9968 1914.9729 2544.2170 1758.9775 2319.2796 2215.8632 14.11_185.1543m/z 185.1543 14.11 196.9092 197.0526 222.8717 207.7351 198.7429 221.7028 14.11_216.9673m/z 216.9673 14.11 389.5651 355.6793 394.9241 373.9681 368.7296 372.9934 14.12_110.9428m/z 110.9428 14.12 68.5659 67.8457 69.9218 65.1048 77.2334 54.2903 14.12_200.1733m/z 200.1733 14.12 41.7215 22.7894 35.5758 26.7370 16.4859 44.6636 14.13_357.2754m/z 357.2754 14.13 280.3664 267.1541 302.2340 281.7172 284.1065 268.1750 14.13_401.2405m/z 401.2405 14.13 247.4939 251.1348 255.1245 242.6997 251.4247 246.0751 14.13_445.2556m/z 445.2556 14.13 322.2731 333.8998 332.3271 304.1219 300.0679 303.9275 14.13_611.3761m/z 611.3761 14.13 1092.6054 1106.0472 1161.6767 1180.4601 1115.6508 1105.3204 14.14_114.9407m/z 114.9407 14.14 123.5806 113.1327 130.3564 113.8924 115.2630 115.8438 14.14_241.1812m/z 241.1812 14.14 99.8096 71.9929 72.5880 74.6984 71.5936 84.5079 14.14_275.1994m/z 275.1994 14.14 106.8270 90.9977 96.4772 94.9077 103.6100 88.1126 14.14_409.2903m/z 409.2903 14.14 183.9682 221.2666 216.8665 225.6837 193.1860 217.9744 14.14_431.3112m/z 431.3112 14.14 255.6229 248.8538 274.0435 245.2754 229.7183 271.4765 14.14_493.3069m/z 493.3069 14.14 193.8080 237.0341 230.0043 227.4167 234.2279 201.1456 14.15_533.3257m/z 533.3257 14.15 293.1175 315.2296 352.7635 372.5171 355.1201 418.5993 14.16_351.2453m/z 351.2453 14.16 310.5124 338.2378 337.2313 297.4219 324.6630 327.3147 14.16_389.2668m/z 389.2668 14.16 776.6741 760.0146 797.3643 778.0050 791.3403 813.8183 C24H40O5 Cholic acid Cholic acid HMDB00619 MEDIUM 14.17_349.1752m/z 349.1752 14.17 180.0493 165.8652 191.0766 186.2342 159.3825 187.4292 14.17_417.2627m/z 417.2627 14.17 751.0846 720.0128 745.8611 715.3162 761.4869 781.1931 C25H38O5 Simvastatin 9150 MEDIUM 14.17_449.2870m/z 449.2870 14.17 387.4888 393.7720 412.1224 379.2258 396.0097 416.4613 14.17_457.2494m/z 457.2494 14.17 78.3964 104.7530 120.3705 118.8298 93.1537 116.0424 14.17_526.2481m/z 526.2481 14.17 254.0534 240.7623 242.8233 270.2751 261.9101 233.4636 14.17_554.3126m/z 554.3126 14.17 627.8406 720.8425 723.4789 757.7799 737.3984 720.0197 14.18_244.9639m/z 244.9639 14.18 147.1548 130.9372 157.8180 157.1364 149.0495 148.8762 14.18_547.3167m/z 547.3167 14.18 143.7019 141.7064 126.5020 150.4009 157.7358 142.6019 14.18_658.3556m/z 658.3556 14.18 157.0107 158.2387 169.5378 196.8771 187.2633 152.0560 14.19_337.2200m/z 337.2200 14.19 420.0295 402.1407 466.8921 453.8784 391.6616 453.0310 14.19_514.2938m/z 514.2938 14.19 26.8087 60.2269 20.0772 46.7222 62.5236 40.2800 14.20_331.1867m/z 331.1867 14.20 1915.1683 1871.9751 1875.0249 1807.4259 1910.1286 1913.9692 14.20_359.2052m/z 359.2052 14.20 121.4792 132.8530 125.4456 113.4607 120.5241 118.0340 14.20_367.2454m/z 367.2454 14.20 143.9424 154.1679 160.6148 165.5474 158.6255 171.2423 14.20_376.2009m/z 376.2009 14.20 1757.2542 1757.9552 1782.9822 1724.8395 1759.3755 1815.2769 14.20_376.7003m/z 376.7003 14.20 132.7324 156.7823 152.5521 156.5618 155.6791 172.8146 14.22_271.2274m/z 271.2274 14.22 5591.9362 5451.6852 5477.6018 5380.9600 5491.5143 5713.7290 14.22_339.2086m/z 339.2086 14.22 1000.4703 895.7576 955.0111 903.9493 934.7835 956.1172 14.22_451.2956m/z 451.2956 14.22 241.4375 207.6376 185.9118 204.3200 243.5191 197.6253 14.22_563.3149m/z 563.3149 14.22 154.9145 177.2215 175.4915 191.1570 153.5308 152.7712 14.23_265.2134m/z 265.2134 14.23 469.5946 446.0034 469.4968 451.8975 438.1893 454.1732 14.23_435.2874m/z 435.2874 14.23 167.2200 201.9065 193.4496 210.4806 173.3683 227.9583 14.23_479.3330m/z 479.3330 14.23 1597.7259 1700.5715 1663.3417 1640.9110 1672.8635 1729.9317 14.23_485.3040m/z 485.3040 14.23 1352.4857 1357.8377 1276.1471 1412.2042 1300.3283 1355.4061 14.23_501.3112m/z 501.3112 14.23 354.1060 370.0051 323.5205 388.8081 337.6681 316.0918 14.23_632.3414m/z 632.3414 14.23 54.1093 68.4397 43.2019 94.6675 67.3923 92.0226 14.24_267.1958m/z 267.1958 14.24 307.7177 325.1760 312.9919 322.9414 315.7947 305.9767 C16H30O4 "2,2,4-Trimethyl-1,3-pentadienol diisobutyrate" MEDIUM 14.24_323.2209m/z 323.2209 14.24 715.2324 749.3211 767.4089 712.0242 718.6863 779.1420 14.24_326.1504n 325.1842 14.24 3604.1202 3598.5198 3634.9859 3479.9904 3458.1211 3770.9209 14.24_392.2115m/z 392.2115 14.24 215.1380 256.8909 268.1094 244.1086 230.5382 241.5958 14.24_495.2926m/z 495.2926 14.24 2913.9412 3092.8354 3900.1503 4089.2857 3854.0804 4272.1607 14.24_508.2890m/z 508.2890 14.24 147.4289 152.7380 166.5729 224.3286 232.3323 196.3294 14.25_337.6685m/z 337.6685 14.25 142.4201 156.3872 145.4004 152.2105 135.4281 144.4225 14.25_346.1574m/z 346.1574 14.25 48.0867 65.3207 36.0286 41.0853 36.8813 57.3573 14.25_455.3232m/z 455.3232 14.25 215.5699 278.5264 263.0350 268.8458 259.5746 282.3006 14.25_475.3205m/z 475.3205 14.25 1084.6652 1127.4137 1058.5951 1135.3529 1061.6895 1162.0047 14.25_543.3049m/z 543.3049 14.25 165.1986 206.0492 159.2794 139.9386 206.7928 157.7358 14.27_255.2107m/z 255.2107 14.27 404.8903 407.6283 407.5346 416.4161 419.8472 395.0458 14.27_337.1685m/z 337.1685 14.27 926.9785 870.7114 940.7536 914.9365 925.0401 951.1999 14.27_403.2061m/z 403.2061 14.27 95.8836 86.2944 73.3703 104.0354 66.2229 100.4290 14.27_651.3701m/z 651.3701 14.27 191.6762 196.2833 221.4306 209.2437 169.1737 198.7703 14.28_278.8490m/z 278.8490 14.28 194.6316 159.7324 178.9420 130.7246 151.9312 131.9080 14.28_293.2110m/z 293.2110 14.28 5885.0700 6081.8389 6030.5881 6138.3927 6111.1078 6184.0291 14.28_299.2063m/z 299.2063 14.28 1681.2993 1734.8308 1702.3487 1675.8311 1644.1487 1750.5627 14.28_347.2499m/z 347.2499 14.28 359.6075 362.3731 355.6568 344.0725 331.9067 365.1466 14.28_361.2674m/z 361.2674 14.28 403.2026 397.5549 407.1360 406.1263 403.8980 403.5495 14.28_368.8767m/z 368.8767 14.28 49.3694 30.5877 35.1788 11.9518 22.3844 22.4194 14.28_401.1904m/z 401.1904 14.28 548.7926 562.1270 549.2105 510.9310 521.1378 557.2918 14.29_343.1951m/z 343.1951 14.29 2471.3789 2474.2607 2480.6474 2480.4740 2444.1037 2453.9968 14.29_639.4146m/z 639.4146 14.29 60.6732 92.7044 69.2787 101.2180 68.5539 58.3068 14.30_403.2836m/z 403.2836 14.30 1494.3911 1479.2967 1467.7099 1426.4941 1479.2807 1424.0309 14.30_447.2727m/z 447.2727 14.30 4560.8097 4663.2605 4690.0894 4491.1514 4517.2461 4763.3151 14.30_469.2514m/z 469.2514 14.30 834.7152 868.5268 844.1315 896.1022 835.4735 843.7455 14.30_491.2309m/z 491.2309 14.30 463.7672 462.9717 487.1856 454.9054 453.8714 483.4448 14.31_287.6097m/z 287.6097 14.31 103.4852 100.1759 92.9359 84.5254 108.5259 108.3589 14.31_567.1522m/z 567.1522 14.31 629.4359 611.6322 646.9344 544.9835 604.1578 575.5966 14.31_574.9971m/z 574.9971 14.31 183.5424 174.5837 146.7877 145.6523 143.1887 173.2337 14.31_580.1592n 561.1413 14.31 675.4509 614.1378 550.1812 520.7356 590.5328 592.7844 14.31_621.3260m/z 621.3260 14.31 1039.5260 1041.7917 974.7590 1037.9442 1024.7669 1057.8246 14.32_171.1025m/z 171.1025 14.32 340.7349 339.8371 345.5181 356.7065 352.7990 351.9003 14.32_265.2146m/z 265.2146 14.32 280.7661 284.0160 293.3086 316.0507 298.0576 312.3330 14.32_295.3703m/z 295.3703 14.32 3802.2700 3693.6212 3453.4973 3473.8384 3312.7066 3129.2785 14.32_296.2343n 295.2268 14.32 162502.3987 162441.4387 160866.0676 160388.9963 161311.1838 166217.5257 14.32_353.1855m/z 353.1855 14.32 1063.4942 1082.3775 1043.2514 1029.5884 1048.8683 1040.9302 14.32_357.2026m/z 357.2026 14.32 910.7339 950.1011 907.2244 922.7099 875.7953 934.9495 14.32_359.1948m/z 359.1948 14.32 2432.0628 2439.9437 2483.6622 2420.4498 2575.2442 2509.5494 14.32_363.2138m/z 363.2138 14.32 9028.4868 8795.7991 8701.6371 8618.9202 8673.0336 8833.5314 14.32_371.2067m/z 371.2067 14.32 144.2241 155.2431 141.1394 137.8984 142.0647 150.5377 14.32_374.2084n 355.1905 14.32 1319.4508 1267.2778 1244.6423 1314.9684 1328.9528 1331.3750 C22H30O5 Jasmolin II 39114 MEDIUM 14.32_379.1809m/z 379.1809 14.32 1958.2097 1897.4984 1973.2759 1910.9393 1906.6438 1971.8109 14.32_383.2003m/z 383.2003 14.32 1069.6851 1150.3769 1113.2386 1139.7982 1178.1533 1179.2774 14.32_395.1231m/z 395.1231 14.32 3523.4309 3590.9820 3532.9428 3631.6148 3711.7514 3773.6257 C17H20F6N2O3 Flecainide 127588 MEDIUM 14.32_404.2139n 385.1961 14.32 7515.9219 7659.9471 7641.1903 7532.7228 7397.8565 7854.4433 14.32_405.1464m/z 405.1464 14.32 986.8512 941.4791 963.0224 922.4745 996.5858 976.3901 14.32_412.1350n 393.1171 14.32 3952.8381 4190.0636 4232.5238 4170.3853 4228.3833 4387.1514 14.32_416.1311n 397.1132 14.32 2310.9267 2334.9256 2349.1894 2362.9429 2411.4259 2443.1722 14.32_421.1732m/z 421.1732 14.32 335.2105 337.2035 306.5362 308.1767 350.3424 327.5163 14.32_426.1998n 425.1893 14.32 3883.7117 3944.5277 3940.2624 4016.6338 3926.3704 4090.3387 14.32_429.0931m/z 429.0931 14.32 2137.9522 2311.7795 2273.5405 2392.1476 2370.3557 2492.8498 14.32_431.1991m/z 431.1991 14.32 727.8209 664.7477 669.5013 629.4745 643.3606 692.2183 14.32_433.0890m/z 433.0890 14.32 1727.7163 1862.8336 1903.4057 1962.4988 1966.0525 2013.2473 14.32_435.0889m/z 435.0889 14.32 961.0008 980.6127 930.1882 1046.7611 1012.0538 1041.8362 14.32_440.1490m/z 440.1490 14.32 1525.1219 1528.7135 1479.3605 1478.3754 1440.5123 1478.9503 14.32_450.1084n 431.0905 14.32 3460.4480 3722.8685 3706.1698 3756.3602 3907.1756 3802.7721 14.32_461.1085m/z 461.1085 14.32 403.5257 394.0102 392.5552 406.8002 422.2045 402.3212 14.32_464.2067n 463.1132 14.32 896.6107 912.7412 758.8183 773.9064 771.6778 808.8228 14.32_473.1353m/z 473.1353 14.32 495.0710 461.2544 486.1500 452.7757 446.4473 472.8870 14.32_490.1552n 471.1374 14.32 981.5053 894.9432 953.1869 883.3811 931.8775 926.8698 14.32_494.1712n 493.1753 14.32 1165.7462 1166.7015 1152.1198 1091.3719 1133.6899 1176.8428 14.32_509.1292m/z 509.1292 14.32 651.1960 597.0226 627.7496 613.7062 649.5040 583.1450 14.32_519.1228m/z 519.1228 14.32 226.6219 219.9534 228.8173 183.2722 212.0849 206.0222 14.32_523.0758m/z 523.0758 14.32 223.6278 222.0609 223.9390 210.6508 200.6117 207.1732 14.32_526.1227n 507.1049 14.32 506.7687 525.5376 448.1456 453.8318 430.6675 440.7033 14.32_537.0120m/z 537.0120 14.32 1046.0308 1018.3002 975.4743 947.9235 964.7218 967.9647 14.32_543.0060m/z 543.0060 14.32 1327.2795 1237.8995 1219.0473 1145.1916 1195.8194 1236.6606 14.32_546.0088n 545.0050 14.32 1053.1686 953.7291 898.6545 890.5048 904.6883 945.2257 14.32_548.0006n 528.9828 14.32 1384.7418 1286.3193 1228.5547 1145.7476 1228.5249 1243.6860 14.32_549.9971n 530.9792 14.32 1561.5997 1425.9968 1383.8761 1362.9268 1377.8495 1441.8063 14.32_551.9967n 532.9789 14.32 1347.3172 1265.2541 1188.3857 1104.9583 1145.0978 1193.1018 14.32_554.0025n 553.0365 14.32 1053.0748 958.4366 933.1503 906.5094 938.8164 934.7993 14.32_558.0284n 539.0105 14.32 2177.0341 1992.7771 1940.5945 1886.6736 1910.7987 1981.4227 14.32_560.0259n 541.0081 14.32 2203.2215 2030.9893 1961.1074 1918.0036 1911.1947 2019.4487 14.32_613.4419m/z 613.4419 14.32 2311.3620 2435.1463 2222.1914 2357.9652 2327.9812 2383.1283 14.32_644.3713m/z 644.3713 14.32 708.3891 719.9357 673.1188 752.6393 729.6489 756.2756 14.32_654.4376n 635.4198 14.32 752.9469 881.8321 784.7852 879.8605 922.0157 834.7598 14.32_655.3712m/z 655.3712 14.32 262.8641 259.3072 263.8079 293.8748 271.6481 291.6278 14.32_676.4069n 675.3999 14.32 1059.6353 1074.0187 983.4587 1073.8194 1101.5208 1054.2082 14.32_697.3609m/z 697.3609 14.32 74.6673 74.5323 43.5330 71.0326 71.1157 53.7001 14.32_700.4450n 681.4272 14.32 489.4663 508.0261 447.4751 472.5317 517.0674 487.4090 14.32_751.2668m/z 751.2668 14.32 342.5719 357.8822 335.4381 380.3366 341.5718 359.9409 14.32_753.2628m/z 753.2628 14.32 491.3750 532.1519 509.6184 561.8926 499.7874 540.4891 14.32_774.2797n 755.2619 14.32 1258.2849 1297.4552 1214.9773 1270.7233 1257.0932 1311.7505 14.32_791.2370m/z 791.2370 14.32 1034.3514 1005.8676 899.6453 965.8849 975.3272 986.6938 14.32_806.2586n 787.2407 14.32 624.9537 633.2416 513.3774 596.0762 607.3100 553.4557 14.32_808.2564n 789.2385 14.32 983.4622 985.3154 832.5921 943.3911 954.3612 987.8883 14.32_812.2531n 793.2352 14.32 1449.5149 1486.7775 1330.7166 1401.7885 1421.4934 1406.0954 14.33_195.1384m/z 195.1384 14.33 402.5582 423.9857 373.6605 421.3663 400.9452 386.9629 C12H20O2 "Ethyl 2Z,4E-decadienoic acid" MEDIUM 14.33_423.1749m/z 423.1749 14.33 222.3752 233.5478 251.2067 225.4340 256.9850 203.0228 14.33_438.1498m/z 438.1498 14.33 298.9435 295.6182 262.3322 255.1993 259.6221 260.0659 14.33_518.2034n 499.1856 14.33 993.7927 1008.1485 992.5744 978.3038 942.4101 944.9937 14.33_522.1678n 521.1254 14.33 293.4605 287.1110 263.7177 269.7770 245.1635 259.6768 14.33_556.3285m/z 556.3285 14.33 463.5199 474.5539 399.6647 449.6198 458.6881 442.1090 14.33_607.0967m/z 607.0967 14.33 194.4858 168.6501 151.2605 167.7611 146.7125 181.7790 14.33_609.3605m/z 609.3605 14.33 252.5423 268.6452 242.2679 262.3587 272.4463 217.7176 14.33_618.0996n 599.0818 14.33 157.3546 142.2998 164.8721 147.0027 149.5545 119.8382 14.34_350.6769m/z 350.6769 14.34 49.0308 51.5956 44.3099 42.7200 20.2963 62.4954 14.34_369.2043m/z 369.2043 14.34 244.9871 246.1116 250.6019 240.1706 256.1280 248.3046 14.34_455.2460m/z 455.2460 14.34 7381.9786 7388.4213 7262.8844 7273.1150 7216.3450 7390.0249 14.35_435.3088m/z 435.3088 14.35 699.5545 758.5431 758.9996 745.9498 715.2465 747.8020 14.35_477.2299m/z 477.2299 14.35 731.7208 708.5719 670.8149 701.4771 660.8121 707.8081 14.35_669.2723m/z 669.2723 14.35 765.2024 823.9768 750.0848 765.7117 734.5416 794.0050 14.36_200.1725m/z 200.1725 14.36 16.3527 13.1289 6.1124 17.6896 19.2887 25.9617 14.37_243.1957m/z 243.1957 14.37 378.8034 366.6362 346.2434 385.3276 372.4215 361.0287 14.37_315.2031m/z 315.2031 14.37 191.6581 198.0662 195.7546 217.5952 218.7857 210.5912 14.37_507.3333m/z 507.3333 14.37 472.4972 734.6840 760.0527 1072.0185 683.5044 1105.7514 14.37_562.3113m/z 562.3113 14.37 532.3580 667.2710 525.0292 738.0966 617.2522 571.2714 14.38_266.1620m/z 266.1620 14.38 16.5007 17.8032 6.0010 17.3923 16.5037 26.4147 14.38_445.2903m/z 445.2903 14.38 445.4250 434.8249 460.5462 429.0566 448.1499 456.9210 14.38_538.3461m/z 538.3461 14.38 139.6231 142.5157 146.8390 148.9065 150.6237 139.9555 14.39_240.9454m/z 240.9454 14.39 157.2192 156.4607 145.1728 152.2897 146.5955 138.7174 14.40_227.1999m/z 227.1999 14.40 86.2387 108.9854 84.1240 109.3197 103.2298 72.6523 14.40_300.2052m/z 300.2052 14.40 35.4489 32.2543 38.2369 40.5992 38.6390 33.5332 14.40_475.2905m/z 475.2905 14.40 556.9264 589.1044 586.2544 571.0485 585.7051 598.6375 14.40_488.3247m/z 488.3247 14.40 126.0496 124.7915 141.0997 113.5564 101.7744 108.4706 14.40_541.3080m/z 541.3080 14.40 145.2155 163.3933 159.3352 161.9559 171.3279 213.5845 14.41_317.2113m/z 317.2113 14.41 1464.3333 1517.1980 1490.9180 1533.5398 1523.2776 1539.0796 14.41_452.2768m/z 452.2768 14.41 4165.4865 4746.9865 4166.6941 5172.8456 4531.0491 3982.5700 14.41_502.2722m/z 502.2722 14.41 1660.3723 1886.9257 1771.1139 1995.0009 1786.8396 1646.9063 14.41_512.2978m/z 512.2978 14.41 10100.9103 11648.3453 10040.6431 12380.7976 11071.4407 9558.8795 14.41_519.3220m/z 519.3220 14.41 189.8981 190.1380 192.5960 209.3229 187.9622 198.0072 14.41_551.3090m/z 551.3090 14.41 389.8702 448.4220 378.0639 456.0096 353.3915 397.9813 14.41_576.2827m/z 576.2827 14.41 42.4956 69.6055 44.8383 59.1242 54.3343 52.3953 14.41_584.2276m/z 584.2276 14.41 252.3120 299.1215 251.9813 300.5120 246.3840 218.9867 14.41_599.3020n 580.2841 14.41 558.9259 631.3101 544.8830 768.7185 624.6866 534.7612 14.41_642.2540m/z 642.2540 14.41 78.2303 133.0350 69.2202 104.0265 110.5795 90.8709 14.41_667.2860n 648.2682 14.41 225.8916 268.2580 187.4929 292.9750 258.6376 221.5849 14.41_979.6046m/z 979.6046 14.41 99.6640 135.2057 82.0004 148.4658 123.9243 105.7810 14.42_114.9405m/z 114.9405 14.42 126.9180 105.3374 102.0558 107.4404 101.1198 115.9349 14.42_432.3101m/z 432.3101 14.42 1318.7551 1438.9307 1420.2431 1477.1507 1368.9311 1461.9655 14.42_586.3118m/z 586.3118 14.42 729.6956 805.3513 726.2614 835.1550 756.9591 764.1196 14.43_267.2317m/z 267.2317 14.43 158.9479 123.0713 131.2135 132.0573 128.3152 110.3575 14.43_339.2028m/z 339.2028 14.43 614.6089 568.1732 606.9500 602.6880 584.7636 593.3573 14.43_439.2254m/z 439.2254 14.43 124.8999 141.1205 117.0518 132.2370 129.7444 156.4690 14.44_175.1488m/z 175.1488 14.44 152.0411 154.8737 152.0489 144.3443 130.6055 150.3140 14.44_219.1384m/z 219.1384 14.44 968.4454 982.1397 1016.6319 956.2992 936.9880 977.1405 14.44_257.2251m/z 257.2251 14.44 744.9171 719.4532 759.5588 740.1818 740.3498 747.9441 14.44_271.2272m/z 271.2272 14.44 1410.6355 1378.7258 1402.0979 1354.4125 1397.7895 1396.6620 14.44_301.2165m/z 301.2165 14.44 3605.1798 3679.2764 3558.3176 3586.5749 3566.8863 3645.4195 C20H32O3 8-HETE 8-HETE HMDB04679 HIGH 14.44_319.2273m/z 319.2273 14.44 38950.0890 39696.5020 39144.9154 39244.6453 38276.7598 40255.5077 C20H32O3 8-HETE 8-HETE HMDB04679 MEDIUM 14.44_381.2099m/z 381.2099 14.44 545.1378 532.2082 543.2708 599.6587 568.0755 580.8513 14.44_383.1971m/z 383.1971 14.44 1303.3042 1324.4834 1271.9792 1301.4818 1295.8265 1308.3331 14.44_397.1938m/z 397.1938 14.44 218.7087 249.5260 216.6687 268.3066 238.2009 242.5124 14.44_417.1169m/z 417.1169 14.44 1388.1967 1448.5295 1466.1680 1489.4320 1503.6729 1568.2566 14.44_419.1186m/z 419.1186 14.44 1761.3057 1931.1583 1950.9120 1919.9036 1973.2222 1941.5661 14.44_422.1976n 421.1167 14.44 2642.9930 2811.7807 2712.2619 2783.2269 2739.7099 2823.9387 14.44_428.2155n 409.1976 14.44 5968.6728 6108.4686 5997.1230 6098.2665 6080.8552 6166.9278 14.44_429.1449m/z 429.1449 14.44 589.9501 613.3337 594.4057 554.6892 570.3609 623.5172 14.44_435.2002m/z 435.2002 14.44 601.9404 640.1653 620.3961 616.8721 644.0341 657.3710 14.44_453.0930m/z 453.0930 14.44 707.4325 822.8018 764.9991 814.2607 856.5565 852.7956 14.44_455.0914m/z 455.0914 14.44 1085.5361 1288.4749 1120.3366 1284.4599 1299.2900 1301.1199 14.44_457.0901m/z 457.0901 14.44 953.5426 1046.2186 1044.6505 1135.0753 1064.4069 1079.8104 14.44_464.1495m/z 464.1495 14.44 291.8048 323.8142 217.1202 226.6981 213.1688 251.0155 14.44_473.2173m/z 473.2173 14.44 213.9717 275.8469 211.8596 247.3714 230.9393 278.4855 14.44_517.1998m/z 517.1998 14.44 458.3874 492.0037 435.2996 495.0895 447.4670 472.7466 14.44_552.9882m/z 552.9882 14.44 226.8890 302.3370 259.4169 276.0769 251.8414 243.2727 14.44_554.9859m/z 554.9859 14.44 302.5511 319.4567 313.9094 283.5613 296.4763 333.6749 14.44_556.9957m/z 556.9957 14.44 317.7744 350.8335 352.1802 316.5371 322.2564 323.9916 14.44_561.0113m/z 561.0113 14.44 351.1289 389.6720 351.9590 382.2690 335.6363 401.5759 14.44_563.0109m/z 563.0109 14.44 1091.2548 1034.3003 995.9538 988.7110 979.5944 1084.5941 14.44_565.0081m/z 565.0081 14.44 1143.0243 1106.1657 1108.5589 1077.8037 1086.2501 1175.4380 14.44_569.0085m/z 569.0085 14.44 385.5103 341.6774 327.4142 317.5172 382.2957 337.7554 14.44_573.0405m/z 573.0405 14.44 399.4313 405.3499 417.1459 406.7261 379.5746 366.7533 14.44_576.0440m/z 576.0440 14.44 63.3636 78.0104 59.1788 39.0084 71.0062 59.2191 14.44_578.0165n 577.0334 14.44 463.0048 488.7977 472.7123 492.2318 451.7383 436.6598 14.45_224.9664m/z 224.9664 14.45 94.4899 67.5284 86.0086 92.8058 99.6398 86.3214 14.45_311.2218m/z 311.2218 14.45 17361.7879 17356.1134 17322.6526 16907.0126 17203.9021 17427.5459 14.45_333.2033m/z 333.2033 14.45 2884.5343 2912.4916 2853.8546 2847.8531 2905.8732 2985.3257 14.45_341.2119m/z 341.2119 14.45 542.3186 503.5836 614.7239 491.2562 569.5000 549.5474 14.45_375.1898m/z 375.1898 14.45 715.4101 687.6855 639.6373 704.8112 711.8471 696.3526 14.45_399.1972m/z 399.1972 14.45 194.1094 197.1396 191.7972 199.1773 184.8979 191.5412 14.45_401.1889m/z 401.1889 14.45 1178.8420 1233.3768 1170.0593 1177.4570 1240.5612 1236.4408 14.45_409.1133m/z 409.1133 14.45 281.7433 279.5378 261.1312 275.2315 296.3089 257.8762 14.46_241.1931m/z 241.1931 14.46 84.3529 75.9285 69.2247 84.4339 85.0150 55.4173 14.46_285.1894m/z 285.1894 14.46 175.6456 198.8717 182.4698 191.4631 189.6187 201.6065 14.46_481.0899m/z 481.0899 14.46 156.3807 171.1859 136.1001 187.1858 161.2899 134.5495 14.46_611.3764m/z 611.3764 14.46 602.0435 595.0347 591.6622 624.2785 561.7709 576.0450 14.47_134.9874m/z 134.9874 14.47 57.4560 61.4695 55.1637 35.6485 57.9786 62.5559 14.47_343.2271m/z 343.2271 14.47 27056.7402 27437.3021 27090.7236 27528.1869 26933.6790 27226.1120 14.47_433.1971m/z 433.1971 14.47 357.6731 383.0371 391.9056 364.3002 405.2227 399.6764 14.47_443.1291m/z 443.1291 14.47 1047.8462 1136.5392 1064.0385 1104.6154 1033.6138 1079.9437 14.47_479.0904m/z 479.0904 14.47 186.4420 201.3919 201.5982 208.4114 204.8160 205.1624 14.47_616.1933n 597.1754 14.47 820.2763 756.2517 736.4663 699.0904 716.0479 777.8174 14.47_638.1607n 619.1429 14.47 224.3573 249.5492 227.8321 216.7890 246.3381 278.2771 14.49_233.1535m/z 233.1535 14.49 151.0994 144.9680 141.5411 132.4685 133.8724 150.0465 C15H22O2 Scirpene MEDIUM 14.49_255.2146m/z 255.2146 14.49 278.2689 231.7241 289.0925 265.7675 264.5059 255.8504 14.49_288.2299n 269.2120 14.49 522.0096 501.3842 546.5936 522.0174 521.7360 567.9264 14.49_332.1814m/z 332.1814 14.49 34.9038 32.8271 48.5532 47.8247 61.3882 37.1220 14.49_369.2393m/z 369.2393 14.49 220.6731 214.0830 170.9844 197.8198 202.7084 205.5079 14.49_391.2843m/z 391.2843 14.49 9277.2109 9404.4722 9597.7614 9608.8304 9280.8542 9832.1117 C24H40O4 Deoxycholic acid Deoxycholic acid HMDB00626 HIGH 14.49_437.2897m/z 437.2897 14.49 4586.1170 4520.1852 4458.9979 4504.3395 4525.6190 4533.0734 14.49_459.2702m/z 459.2702 14.49 1541.0265 1597.8685 1602.5632 1556.3499 1513.3035 1597.9918 14.49_491.1962m/z 491.1962 14.49 131.1638 170.2728 146.9550 142.2796 178.5892 161.8549 14.49_507.2241m/z 507.2241 14.49 6596.4689 6649.3461 6445.6170 6853.1950 6840.5163 6780.6465 14.49_521.2470m/z 521.2470 14.49 1901.7477 1908.4619 1892.2256 1984.8432 2015.1366 1979.9615 14.49_535.1825m/z 535.1825 14.49 507.6935 499.3436 481.4268 486.3371 525.9809 461.2388 14.49_546.2709n 527.2531 14.49 1055.9717 1085.5359 1024.6189 1104.3591 1053.7145 1064.1200 14.49_548.2143n 529.1965 14.49 1639.7330 1785.2709 1673.2223 1704.2126 1658.9197 1712.7306 14.49_605.1405m/z 605.1405 14.49 308.5666 277.7722 246.4326 281.9932 268.6867 255.8594 14.49_610.1736n 591.1558 14.49 596.3694 651.1718 606.2239 619.1473 600.7388 590.9993 14.49_614.2346n 595.2167 14.49 252.1565 287.9285 266.1338 247.9647 279.9695 258.8081 14.49_657.2019m/z 657.2019 14.49 82.8357 106.1495 90.4606 93.6141 76.0970 109.7860 14.49_659.1476m/z 659.1476 14.49 108.3345 108.2740 112.9130 86.8293 121.8918 97.2265 14.49_681.1039m/z 681.1039 14.49 112.3299 120.8199 114.6009 101.4760 107.6580 104.2487 14.50_487.3239m/z 487.3239 14.50 2155.9719 2185.7588 2107.0389 2247.3884 2140.2587 2139.8430 14.50_607.1360m/z 607.1360 14.50 206.3951 209.2149 220.8717 170.9503 173.3142 217.4988 14.50_673.0832m/z 673.0832 14.50 142.6616 133.9306 125.4056 129.5229 150.1810 123.5808 14.51_167.1073m/z 167.1073 14.51 595.6842 584.3857 578.9470 599.3336 574.2814 584.6583 14.51_556.3286m/z 556.3286 14.51 1147.1112 1238.0172 1194.5232 1286.1353 1195.5902 1168.5634 14.52_283.2303m/z 283.2303 14.52 397.6538 352.1026 379.2682 345.3834 345.4770 342.5749 14.52_323.2209m/z 323.2209 14.52 1477.8296 1513.1652 1531.1170 1507.3769 1533.6062 1546.8682 14.52_441.1200m/z 441.1200 14.52 389.5927 437.3203 354.9758 396.5646 432.7985 403.5092 14.52_587.0136m/z 587.0136 14.52 295.6926 282.5588 226.3857 246.3360 245.8875 238.1898 14.53_193.1232m/z 193.1232 14.53 61.5128 58.3597 57.4909 66.3391 64.2722 53.3139 14.53_277.1456m/z 277.1456 14.53 11862.6796 13308.8296 12086.4983 12431.5622 11243.1717 13613.2512 C16H22O4 Mono-n-octyl phthalate 5393-19-1 HIGH 14.53_291.1914m/z 291.1914 14.53 137.9984 175.4534 165.9976 173.1405 112.1193 155.7199 14.53_412.2141m/z 412.2141 14.53 620.9815 623.1105 608.8416 606.0868 626.0665 628.8711 14.53_453.3199m/z 453.3199 14.53 5165.6226 5076.8413 5046.6547 5064.7570 5048.0374 5237.5356 14.54_333.1472m/z 333.1472 14.54 396.5059 346.5844 363.0478 343.1157 459.1986 532.4999 14.54_419.3047m/z 419.3047 14.54 847.4917 944.9865 816.8667 991.4760 978.1794 965.4644 14.54_463.3048m/z 463.3048 14.54 2218.9558 2199.1948 2187.4077 2197.8453 2231.7465 2241.4094 14.55_223.1696m/z 223.1696 14.55 1442.5084 1450.0228 1338.6150 1355.6501 1452.8243 1437.3493 14.55_405.2175m/z 405.2175 14.55 322.5892 325.0649 291.9626 290.9884 311.6521 329.3810 14.56_155.0712m/z 155.0712 14.56 146.7362 161.6147 148.2010 141.5209 147.7672 140.6051 C8H14O4 Dimethyl adipate MEDIUM 14.56_431.3144m/z 431.3144 14.56 6826.8550 6919.8048 6884.0050 6879.9001 6969.3018 7094.2762 14.56_630.2958m/z 630.2958 14.56 257.8532 309.5833 288.8044 345.9928 241.8278 307.0782 14.57_179.1074m/z 179.1074 14.57 230.4903 240.4095 217.9546 245.7788 222.8605 226.4811 14.57_216.9605m/z 216.9605 14.57 163.4045 157.2488 186.3376 151.5524 169.2147 167.6728 14.57_257.2257m/z 257.2257 14.57 762.1206 771.1256 729.2034 744.5955 771.0848 738.0987 14.57_281.2256m/z 281.2256 14.57 758.8194 781.7578 765.5559 760.8490 768.9680 746.0544 14.57_320.2343n 319.2272 14.57 42438.9840 41578.6692 40890.7347 42042.4876 42340.8338 41143.8866 C20H32O3 8-HETE 8-HETE HMDB04679 HIGH 14.57_350.2378n 349.1596 14.57 826.4300 870.2317 814.2324 833.7822 827.2452 833.8879 14.57_387.2132m/z 387.2132 14.57 2151.5710 2085.9927 2107.6802 2127.2950 2107.0093 2067.2899 14.57_397.2002m/z 397.2002 14.57 476.1821 481.3594 548.8068 508.1907 476.8952 535.8929 14.57_407.2102m/z 407.2102 14.57 1875.8928 1911.8970 1945.0500 1943.9364 1936.0392 1918.4994 C28H30N2O2 Darifenacin 391960 MEDIUM 14.57_435.2000m/z 435.2000 14.57 404.0964 416.0136 401.2873 440.5004 463.8584 419.9121 14.57_455.0917m/z 455.0917 14.57 619.7848 722.2573 663.7608 719.4858 782.7834 714.9360 14.57_464.1469m/z 464.1469 14.57 245.3620 244.0700 159.5580 151.6026 148.4998 152.1621 14.57_472.1111n 453.0933 14.57 686.8992 737.3722 670.5231 767.2301 795.9547 728.5075 14.57_502.2917m/z 502.2917 14.57 3140.2013 3390.1573 3035.5538 3672.5671 3369.9522 3202.8053 14.57_553.2696m/z 553.2696 14.57 982.7681 1128.8880 1093.0230 1152.1496 1136.7660 1053.8362 14.57_561.0122m/z 561.0122 14.57 415.9737 431.1887 399.7349 413.0936 458.7580 446.2402 14.57_562.3130m/z 562.3130 14.57 6633.2365 7528.8129 6607.1136 8171.6803 7188.9483 6920.0606 14.57_565.0070m/z 565.0070 14.57 1342.4086 1317.0252 1291.2955 1292.1879 1324.8368 1286.6698 14.57_567.0063m/z 567.0063 14.57 1286.1400 1300.4590 1233.0103 1250.3267 1287.5840 1231.1413 14.57_571.0421m/z 571.0421 14.57 332.5520 338.5463 304.3934 354.3412 323.1320 343.4088 14.57_573.9980n 573.0388 14.57 553.8187 534.1941 509.5496 516.2890 470.6075 510.8085 14.57_576.0087n 556.9908 14.57 709.8069 672.5404 596.0638 678.3420 664.4267 675.8866 14.57_582.0294n 563.0115 14.57 1873.1214 1844.0675 1785.0656 1852.9766 1924.6337 1801.9080 14.57_589.0115m/z 589.0115 14.57 497.3133 512.1024 437.8299 435.5569 506.5397 473.0307 14.58_531.1826m/z 531.1826 14.58 293.7421 266.6418 264.7298 279.5725 300.4187 249.0600 14.58_623.0804m/z 623.0804 14.58 101.4832 121.9748 123.9070 164.3184 161.8850 107.1319 14.58_908.5997m/z 908.5997 14.58 117.6039 98.5813 90.7302 109.2984 154.9229 96.0481 14.59_114.9404m/z 114.9404 14.59 191.0570 176.1980 183.5750 165.7084 200.6123 166.1681 14.59_213.1856m/z 213.1856 14.59 1708.2177 1572.7846 1806.3987 1595.6166 1671.0634 1690.2288 C13H26O2 Tridecanoic acid Tridecylic acid 45919 HIGH 14.59_269.6275m/z 269.6275 14.59 216.5055 220.5158 222.5897 245.4732 231.3508 216.1537 14.59_337.2353m/z 337.2353 14.59 1068.6137 1087.5427 1088.2271 1039.7488 1032.8801 1042.0303 14.59_391.2844m/z 391.2844 14.59 18726.2947 18596.7930 18473.0761 18801.3165 19076.6388 19304.2692 C24H40O4 Deoxycholic acid Deoxycholic acid HMDB00626 HIGH 14.59_459.2700m/z 459.2700 14.59 2038.5001 2043.1082 2114.4472 2068.3005 2073.6878 2072.3166 14.59_489.1775m/z 489.1775 14.59 341.8580 376.7637 334.7338 350.9044 378.7334 315.2491 14.59_491.1904m/z 491.1904 14.59 421.5087 456.1908 438.5438 440.7813 428.4052 448.5692 14.59_491.3308m/z 491.3308 14.59 253.8727 263.5067 266.1636 258.5386 268.8108 251.4030 14.59_526.2960m/z 526.2960 14.59 3605.5910 4007.6070 3509.7284 4214.2230 3903.9823 3805.1267 14.59_536.2080m/z 536.2080 14.59 408.6166 455.2924 447.5558 437.5701 435.5365 401.0398 14.59_540.2682m/z 540.2682 14.59 1810.4285 1898.6349 1905.3641 2061.6830 2137.5628 2106.2209 14.59_545.2041m/z 545.2041 14.59 243.2557 297.6034 250.8415 339.7080 286.8105 214.7171 14.59_568.2452n 549.2274 14.59 301.7126 375.4487 275.9652 442.8657 303.9692 345.9123 14.59_576.2797m/z 576.2797 14.59 1590.1525 1694.4825 1548.2107 1865.3386 1691.9143 1606.2552 14.59_586.3131m/z 586.3131 14.59 7229.7477 8416.6416 6907.2462 9047.5732 8096.5654 7827.7023 14.59_595.2326m/z 595.2326 14.59 174.8382 174.0811 167.2226 186.7743 188.6155 207.4168 14.59_608.2598n 589.2420 14.59 370.1428 401.0460 334.6872 425.8347 343.7983 344.3430 14.59_617.1567m/z 617.1567 14.59 106.6313 148.6638 97.9079 155.8027 131.1088 92.4608 14.59_622.2183n 603.2004 14.59 517.2207 520.2384 489.0428 531.7968 478.9393 402.7410 14.59_654.2967m/z 654.2967 14.59 545.9563 628.3227 540.4749 689.0411 592.4507 594.7655 14.59_658.2354m/z 658.2354 14.59 218.2036 186.6306 126.7051 201.7187 200.3681 196.5209 14.59_741.2929n 740.2184 14.59 409.8469 547.5486 440.9900 622.7254 507.3367 498.2833 14.60_280.6198m/z 280.6198 14.60 30.9165 37.3401 28.3824 32.7852 34.7763 22.7505 14.60_378.2398m/z 378.2398 14.60 5335.5968 5604.8397 5226.8673 5892.6035 5779.9916 5160.0492 14.60_446.2225m/z 446.2225 14.60 694.1912 748.7112 699.7429 755.9429 733.5352 657.2103 14.60_474.2576m/z 474.2576 14.60 1588.3882 1691.8636 1639.5348 1709.5139 1634.1168 1626.0251 14.60_515.2960m/z 515.2960 14.60 360.4072 354.7843 330.5172 423.2578 332.1057 339.3053 14.60_600.1706m/z 600.1706 14.60 65.1243 43.6819 27.5264 37.6978 38.1169 56.8870 14.61_211.1696m/z 211.1696 14.61 327.8331 299.6161 320.3781 293.4754 331.4528 330.1736 14.62_203.1793m/z 203.1793 14.62 49.5737 67.1527 47.4407 51.0102 62.8555 41.0036 14.62_240.9499m/z 240.9499 14.62 94.1961 90.8591 119.5885 96.4277 114.8336 95.7292 14.62_244.9611m/z 244.9611 14.62 142.1973 123.9220 124.3679 131.8564 123.9516 135.2093 14.62_556.3225m/z 556.3225 14.62 596.1058 670.7912 631.7522 720.2633 611.9450 514.3889 14.63_327.6548m/z 327.6548 14.63 8.1723 14.9540 12.3331 25.7624 21.7059 6.8984 14.63_369.2597m/z 369.2597 14.63 189.4303 209.3659 204.9043 199.7834 214.4425 212.7130 14.63_441.2327m/z 441.2327 14.63 1314.5410 1319.1209 1300.9821 1340.8441 1410.7826 1320.6886 14.63_496.2970m/z 496.2970 14.63 3131.0442 3221.9298 3555.2779 3483.0201 3292.8711 3403.3550 14.64_554.9688m/z 554.9688 14.64 269.0471 279.2228 261.5878 277.0305 241.0067 253.2578 14.64_731.1927m/z 731.1927 14.64 287.0066 332.0841 248.1817 371.8530 330.0363 286.3586 14.65_199.1700m/z 199.1700 14.65 5888.8847 5551.7023 5942.2930 5672.1243 5940.7741 5847.2901 C12H24O2 Dodecanoic acid Lauric acid 30805 MEDIUM 14.65_267.1557m/z 267.1557 14.65 430.0632 383.6069 416.4407 399.9600 429.4482 434.2137 14.65_284.2253m/z 284.2253 14.65 780.1764 746.9325 753.4637 787.3539 763.5570 721.9135 14.65_298.2454m/z 298.2454 14.65 2551.4489 2448.4428 2513.9842 2340.2040 2412.4818 2313.6655 14.65_299.0869m/z 299.0869 14.65 382.6149 383.0669 380.5946 374.4390 392.2773 424.3996 C24H12 Coronene Coronene 29863 MEDIUM 14.65_301.0761m/z 301.0761 14.65 202.9395 175.1573 188.5232 172.2255 181.3916 179.6069 14.65_309.1518m/z 309.1518 14.65 2286.2068 2198.7639 2399.8007 2287.5570 2672.5573 4316.6281 14.65_313.1499m/z 313.1499 14.65 308.9945 276.1521 298.2126 273.8321 316.9210 290.3979 14.65_329.1286m/z 329.1286 14.65 602.2481 588.3713 626.3432 563.8279 625.3778 553.7225 14.65_333.0360m/z 333.0360 14.65 451.3072 425.6039 437.7808 450.2681 473.1170 446.7308 14.65_333.1487m/z 333.1487 14.65 187.1550 167.4603 199.5643 175.2649 165.9052 155.9783 14.65_335.0333m/z 335.0333 14.65 530.0980 548.0767 553.6403 559.1462 596.0781 566.9989 14.65_335.1451m/z 335.1451 14.65 431.2395 433.7280 476.2770 405.3080 430.6452 452.4339 14.65_337.0311m/z 337.0311 14.65 479.7422 516.8278 514.2654 511.1171 571.6064 503.0431 14.65_347.0628m/z 347.0628 14.65 251.8900 197.6971 264.8355 216.3359 225.2235 233.3684 14.65_353.0951m/z 353.0951 14.65 258.4274 243.7593 266.2208 247.5048 253.7045 264.9630 14.65_365.2270m/z 365.2270 14.65 1189.4412 1178.7081 1209.1441 1186.0764 1235.4765 1492.0960 14.65_397.1275m/z 397.1275 14.65 312.2411 310.7176 337.6865 291.9205 278.6619 315.2849 14.65_399.1444m/z 399.1444 14.65 194.6133 223.3048 219.6292 221.8176 232.7173 201.6757 14.65_478.9332m/z 478.9332 14.65 577.5368 514.4016 534.0751 507.5926 538.9960 531.7990 14.65_480.9276m/z 480.9276 14.65 600.6659 549.4979 537.7321 477.7137 497.8988 519.8555 14.65_488.9603m/z 488.9603 14.65 423.2935 380.7516 389.7393 388.4776 392.3961 388.3063 14.65_489.3162m/z 489.3162 14.65 138.9232 140.8745 169.7104 136.8991 172.7367 159.3258 14.65_490.9561m/z 490.9561 14.65 427.8420 393.2919 379.9072 374.5379 389.1272 382.0166 14.65_494.0025n 492.9511 14.65 654.9304 561.1766 562.0252 501.1739 553.5517 534.3611 14.65_501.9428n 482.9249 14.65 509.1598 488.7573 484.7581 449.4582 475.3931 457.4504 14.65_627.1566m/z 627.1566 14.65 227.7927 234.9450 278.6825 267.4109 268.7070 266.5896 14.65_629.1635m/z 629.1635 14.65 266.9268 286.1323 266.6578 300.9788 300.1202 289.9516 14.65_631.1288m/z 631.1288 14.65 360.1596 327.8879 313.5240 337.0452 351.1193 325.4855 14.65_635.0931m/z 635.0931 14.65 537.3765 500.9416 467.1287 460.3568 510.4058 480.7005 14.65_652.1236n 633.1058 14.65 736.9680 753.8813 763.5550 759.6952 763.6720 709.0319 14.65_653.1690m/z 653.1690 14.65 382.2197 378.8194 372.4168 325.8076 345.8995 384.9677 14.65_656.1171n 637.0992 14.65 572.3098 608.7539 603.6690 590.9833 599.2152 567.5808 14.65_658.1271n 639.1092 14.65 493.6043 483.0363 469.2755 476.1807 478.1628 416.8901 14.65_660.1473n 641.1295 14.65 530.7356 500.9644 528.2895 464.6857 481.9865 476.5716 14.65_662.1497n 643.1318 14.65 688.4370 692.1987 628.2677 706.7117 712.0970 652.6972 14.65_664.1433n 645.1254 14.65 544.0196 588.6721 592.3532 614.9709 556.6364 584.8993 14.65_666.1608n 647.1430 14.65 754.1447 762.7615 760.6031 768.5696 726.4688 710.2716 14.65_705.1788m/z 705.1788 14.65 207.7307 214.9587 232.8350 240.2663 206.2130 184.9746 14.65_709.1380m/z 709.1380 14.65 167.4229 185.2063 124.9045 191.5876 181.7016 140.4845 14.65_715.1805m/z 715.1805 14.65 294.9016 324.3393 327.7045 327.3499 299.4057 297.8932 14.65_717.1731m/z 717.1731 14.65 524.6339 471.5554 468.6178 559.7061 591.6267 474.4248 14.65_719.1725m/z 719.1725 14.65 632.5651 639.4580 627.0247 681.3032 675.5517 635.2039 14.65_726.1787n 707.1608 14.65 326.4695 365.3201 302.5325 374.5152 385.6789 295.3613 14.65_727.1977m/z 727.1977 14.65 111.6178 119.4813 115.3021 114.4034 138.3158 102.1388 14.65_730.1709n 711.1530 14.65 339.8252 383.9717 285.3318 363.3426 419.5786 296.2714 14.65_743.1781m/z 743.1781 14.65 117.9974 100.0463 94.1335 125.6330 120.3511 85.1219 14.66_308.1954n 307.1509 14.66 288.3776 307.3350 299.6014 313.6951 335.8927 324.3561 14.66_352.1994m/z 352.1994 14.66 14.4001 15.6804 35.6647 36.3175 38.2385 23.5712 14.66_449.2525m/z 449.2525 14.66 18665.1662 18784.5635 18663.4795 19559.3770 19093.4463 18342.6450 14.66_513.2292m/z 513.2292 14.66 774.3906 780.2787 726.7149 792.6288 782.8846 757.1253 14.66_517.2348m/z 517.2348 14.66 1807.8888 1918.4147 1859.0182 1949.1367 1856.0578 1905.1197 14.66_547.1133m/z 547.1133 14.66 363.7310 358.7204 342.6990 411.0587 339.9615 321.3976 14.66_549.1344m/z 549.1344 14.66 335.6486 354.2632 334.8219 375.0385 332.7064 371.1883 14.66_581.2140m/z 581.2140 14.66 186.3819 233.0019 220.5602 201.1005 249.2280 253.7198 14.66_594.1791m/z 594.1791 14.66 205.9400 243.1940 285.0873 280.6191 257.8675 289.1368 14.66_625.1274m/z 625.1274 14.66 440.9244 370.4196 312.7588 427.6012 401.2462 385.0326 14.67_361.2400m/z 361.2400 14.67 674.9096 640.9471 636.0400 617.5984 678.3231 621.7916 C22H34O4 Diisoheptyl phthalate MEDIUM 14.67_531.3565m/z 531.3565 14.67 541.9730 601.6654 713.5420 725.8330 705.6175 743.8168 14.68_243.1950m/z 243.1950 14.68 147.5380 152.5756 164.9217 149.3506 154.9249 140.7180 14.68_253.2166m/z 253.2166 14.68 205.0279 211.1703 207.8472 237.7923 185.8461 207.1971 14.68_453.3193m/z 453.3193 14.68 4975.1714 4895.1760 5092.6627 4857.4757 4981.5129 4931.6139 14.68_478.2929m/z 478.2929 14.68 12984.0744 14304.6198 12795.6594 14763.5242 13805.0213 13139.9723 14.68_538.3139m/z 538.3139 14.68 25738.5982 28648.3177 24936.3279 30756.0899 27588.0200 25558.2894 14.68_596.2704m/z 596.2704 14.68 467.5135 507.5480 481.5842 564.6704 504.9899 465.9646 14.68_610.2447m/z 610.2447 14.68 901.9734 939.2613 798.7593 929.9129 897.9162 897.6844 14.68_625.3165n 606.2986 14.68 1957.6473 2154.8604 1903.0479 2164.8788 2053.4819 1756.0131 14.68_682.2020m/z 682.2020 14.68 241.2089 287.5006 254.4611 329.1907 280.0944 280.9168 14.68_684.2032m/z 684.2032 14.68 472.4856 535.0410 471.9379 566.6716 466.5567 475.6211 14.68_693.2951n 674.2772 14.68 789.1907 787.9517 742.7907 830.0597 749.0102 760.0583 14.68_715.2332n 696.2154 14.68 621.8413 741.2864 659.3009 731.4921 700.3699 585.7748 14.68_736.2454m/z 736.2454 14.68 111.4190 184.2026 90.2778 182.8849 134.9584 120.9815 14.69_288.2293n 269.2114 14.69 860.3394 855.5729 818.0702 833.8256 832.3000 844.6975 14.69_313.2373m/z 313.2373 14.69 1608.2433 1613.7907 1643.9963 1552.3986 1563.7417 1633.4978 C18H34O4 Dibutyl decanedioate HMDB41220 109-43-3 HIGH 14.69_335.2159m/z 335.2159 14.69 314.8455 262.9012 289.7105 282.7200 318.8053 313.0618 C22H28N2O Fentanyl Fentanyl 119915 MEDIUM 14.71_164.9310m/z 164.9310 14.71 140.8139 120.7670 140.3007 118.0259 135.8702 144.5603 14.71_221.1541m/z 221.1541 14.71 304.7367 321.8155 312.1927 295.6724 298.0655 295.3782 14.71_321.2425m/z 321.2425 14.71 15630.1052 15443.3646 15036.0281 15525.0645 15428.0599 15296.5392 14.71_375.1875m/z 375.1875 14.71 103.2828 104.8340 80.7627 69.9339 95.3882 70.7969 14.71_569.0201m/z 569.0201 14.71 402.6598 431.6941 386.4219 426.7479 404.4904 413.5371 14.72_115.0400m/z 115.0400 14.72 848.9309 844.2670 830.5457 855.7532 842.5380 815.5988 C5H8O3 Alpha-ketoisovaleric acid Ketoisovaleric acid 16530 MEDIUM 14.72_203.1799m/z 203.1799 14.72 340.8504 351.1554 327.5465 357.5704 357.9570 312.8368 C15H26O Nerolidol 7524 MEDIUM 14.72_257.2264m/z 257.2264 14.72 2475.1861 2462.1532 2344.7582 2524.6963 2416.9985 2375.6669 14.72_271.2270m/z 271.2270 14.72 698.9242 697.9498 709.1863 727.7286 688.0565 699.4513 14.72_318.2111m/z 318.2111 14.72 57.0528 21.5552 32.5584 31.4256 44.4140 36.0131 14.72_320.2343n 319.2272 14.72 37038.8102 36506.8203 35536.5298 37485.4377 37131.5611 35305.4404 C20H32O3 8-HETE 8-HETE HMDB04679 HIGH 14.72_346.2460m/z 346.2460 14.72 2794.3269 2762.0005 2721.3525 2754.3193 2821.0701 2786.7087 14.72_355.1968m/z 355.1968 14.72 111.9917 89.5174 107.7205 78.9918 117.3020 125.9865 14.72_377.1877m/z 377.1877 14.72 514.4094 509.2970 494.6152 502.4356 516.1348 525.6267 14.72_381.2068m/z 381.2068 14.72 480.0505 465.9424 454.6091 476.5083 459.6145 453.2659 C24H32O5 Marinobufagenin MEDIUM 14.72_383.1971m/z 383.1971 14.72 916.2361 939.6733 920.5585 915.5864 908.7188 890.9896 14.72_387.2170m/z 387.2170 14.72 5470.5776 5259.4662 5222.4300 5276.0228 5347.0433 5079.6039 14.72_397.1998m/z 397.1998 14.72 265.8649 230.1939 224.0006 250.3832 270.7826 227.5640 14.72_404.1917m/z 404.1917 14.72 138.4531 155.9157 126.6897 138.1156 119.9878 140.6091 14.72_407.2161m/z 407.2161 14.72 583.4911 592.8162 545.9176 598.5753 619.2211 571.4820 14.72_413.2263m/z 413.2263 14.72 1134.6425 1090.3288 1058.5374 1090.6970 1076.4657 1117.5667 14.72_417.1172m/z 417.1172 14.72 536.2345 538.6712 532.4105 556.9862 552.6273 519.3831 14.72_419.1220m/z 419.1220 14.72 1289.2840 1233.0897 1251.3732 1289.2905 1257.4180 1298.3093 14.72_421.1193m/z 421.1193 14.72 1620.8165 1676.3005 1691.0739 1626.4767 1651.0323 1649.8452 C23H22ClF3O2 Bifenthrin MEDIUM 14.72_428.2364n 409.2186 14.72 2850.0309 2773.3890 2800.9810 2850.4109 2833.5392 2880.5351 14.72_431.1441m/z 431.1441 14.72 244.4096 222.4723 222.8627 235.7845 247.9725 215.8983 14.72_448.1651n 429.1473 14.72 515.8990 493.0996 466.7568 493.9448 509.2572 512.5904 14.72_457.0925m/z 457.0925 14.72 1278.3679 1315.9104 1299.8178 1395.5316 1383.1792 1396.7362 14.72_459.0953m/z 459.0953 14.72 604.7048 639.0750 609.7878 658.0878 730.2106 657.3379 14.72_462.1537n 443.1359 14.72 597.6899 615.7395 622.2011 609.2157 619.6199 596.1833 14.72_464.1480m/z 464.1480 14.72 689.1988 728.0804 440.6749 450.0736 430.9479 424.3820 14.72_472.1113n 453.0934 14.72 819.3759 952.6115 876.1095 939.5350 974.2151 915.7027 14.72_474.1123n 455.0945 14.72 2342.3917 2462.8363 2278.8465 2469.9268 2533.2260 2318.4715 14.72_536.2245n 517.2067 14.72 1351.4528 1305.0220 1227.6373 1328.7424 1380.5220 1228.7331 14.72_542.2141n 523.1963 14.72 676.4562 640.6844 613.1894 666.4022 673.3560 689.9977 14.72_571.0299m/z 571.0299 14.72 264.1548 296.6445 224.3430 252.5150 244.2721 251.2317 14.72_573.0458m/z 573.0458 14.72 311.7887 257.0515 280.2152 266.7777 300.2822 291.8962 14.72_576.1044n 575.0483 14.72 683.6315 628.0126 619.0395 593.2671 685.2092 600.4440 14.72_578.1029n 559.0850 14.72 702.8458 691.3740 695.1301 676.5224 701.6170 660.8590 14.72_580.0346n 561.0168 14.72 524.3753 487.3558 505.7279 511.0183 548.6932 525.0395 14.72_581.0804m/z 581.0804 14.72 294.3079 298.1357 235.9238 301.7312 267.6369 227.4557 14.72_585.1783m/z 585.1783 14.72 350.7725 345.9611 347.3427 354.7664 344.4473 316.2901 14.72_589.0286m/z 589.0286 14.72 305.5129 319.7428 322.7904 326.3604 314.5613 338.9632 14.72_591.0357m/z 591.0357 14.72 450.0290 449.8713 404.9301 455.8955 421.9459 398.0537 14.72_602.0931n 600.9914 14.72 549.1111 545.4265 486.6779 492.5787 440.7376 509.6684 14.72_602.9917m/z 602.9917 14.72 414.8549 394.5041 368.4224 370.6421 338.8019 329.2470 14.72_612.0591n 593.0413 14.72 467.2063 494.5150 427.3012 463.9139 517.0324 462.2240 14.72_618.0151n 598.9972 14.72 368.2484 364.5590 332.9331 328.7984 353.4239 308.8812 14.72_627.0968m/z 627.0968 14.72 165.6218 147.4000 154.3782 157.0533 199.3520 177.9203 14.72_629.0754m/z 629.0754 14.72 129.8784 113.4468 78.7861 111.8785 118.9911 101.0137 14.72_661.4406m/z 661.4406 14.72 520.3801 499.2240 430.1182 573.0329 502.9531 452.0462 14.72_675.0583m/z 675.0583 14.72 176.1115 161.3170 130.7673 176.8452 135.0997 138.8695 14.72_812.5421m/z 812.5421 14.72 1198.0315 1379.5529 1107.8938 1548.4628 1288.4452 1146.1238 14.73_327.2315m/z 327.2315 14.73 1528.2481 1490.6340 1482.5450 1497.7780 1488.3125 1426.8644 C22H32O2 Retinol acetate 32095 MEDIUM 14.73_373.2650m/z 373.2650 14.73 147.0152 183.2613 174.3805 176.0060 184.3879 150.4134 14.74_293.2035m/z 293.2035 14.74 660.0171 616.1345 638.5068 629.8930 669.7979 616.0255 C20H26N2 Trimipramine 9738 MEDIUM 14.74_359.2179m/z 359.2179 14.74 177.6249 149.2732 153.2262 165.8421 174.2698 172.6634 14.74_430.3032n 429.2997 14.74 16859.8822 16868.7681 16719.6770 16825.5755 16860.1955 17452.8965 14.74_494.2691m/z 494.2691 14.74 44.5589 50.4614 32.0034 59.3292 60.6875 50.5953 14.74_711.0660m/z 711.0660 14.74 133.4940 133.0677 90.1772 130.0592 91.1018 78.2181 14.75_226.9664m/z 226.9664 14.75 192.1285 199.5841 202.4710 205.4286 198.2421 199.2567 14.75_264.1602m/z 264.1602 14.75 106.8000 105.3472 95.2965 106.8184 107.3261 103.8269 14.75_303.2323m/z 303.2323 14.75 1859.9655 1731.7457 1625.1908 1732.1899 1998.0794 1637.7844 C20H32O2 Drostanolone 34838 MEDIUM 14.75_419.2982m/z 419.2982 14.75 250.5926 340.1218 251.5037 335.6530 311.7086 321.5087 14.76_535.2724m/z 535.2724 14.76 183.0545 167.3231 189.3909 206.6970 211.7926 187.5981 14.77_400.2474m/z 400.2474 14.77 371.2027 368.7558 339.7247 352.9065 388.5815 343.4214 14.78_521.3385m/z 521.3385 14.78 1312.1676 1342.0210 1362.1321 1383.1141 1362.8631 1426.0369 14.80_395.2695m/z 395.2695 14.80 355.6560 361.3833 356.9394 353.1579 392.6830 307.9809 14.80_836.2362m/z 836.2362 14.80 133.0228 163.8445 128.4619 120.0265 97.5526 60.2939 14.80_838.5573m/z 838.5573 14.80 83.5379 116.3779 67.4397 118.2748 117.0312 90.9677 14.81_279.2323m/z 279.2323 14.81 988.6480 1070.3407 992.8276 1166.2373 1055.1483 1016.3174 14.81_434.2994m/z 434.2994 14.81 2512.0704 2620.2207 2658.5245 2686.4783 2591.6059 2680.0648 14.81_554.3018m/z 554.3018 14.81 4474.9236 4800.5032 4312.9328 5044.1699 4599.0887 4308.8790 14.81_564.3304m/z 564.3304 14.81 36535.7214 40193.0367 35353.6767 42912.0027 38804.5408 36616.7086 14.81_622.2858m/z 622.2858 14.81 564.4497 651.4609 605.0026 670.1348 617.3272 629.3063 14.81_636.2551m/z 636.2551 14.81 1176.6216 1294.5233 1148.0162 1281.9482 1193.9382 1181.9439 14.81_651.3344n 632.3165 14.81 2777.5794 2992.5294 2689.2202 3099.0359 2809.3461 2659.3532 14.81_654.2471m/z 654.2471 14.81 311.9980 329.4821 261.4999 298.7645 318.8280 236.6687 14.81_672.2678m/z 672.2678 14.81 304.0555 299.2522 258.8631 309.5706 297.3948 274.4672 14.81_678.2804m/z 678.2804 14.81 231.9789 267.5171 214.7656 251.7540 218.2817 198.2808 14.81_709.2839n 708.2246 14.81 727.6100 800.2387 722.4089 894.9543 769.2951 752.0921 14.81_710.2285m/z 710.2285 14.81 387.5884 394.2859 358.8453 452.1855 400.6367 379.3120 14.81_713.2911n 694.2733 14.81 1489.1207 1432.6326 1313.2194 1547.4869 1432.9085 1241.5437 14.81_719.3149n 718.2576 14.81 1816.7028 1892.5032 1631.0672 1961.4053 1783.1779 1656.4921 14.81_722.2384m/z 722.2384 14.81 380.9583 454.8818 391.7944 452.7313 448.1899 346.6150 14.81_768.2639m/z 768.2639 14.81 441.8337 433.0350 401.9307 493.0078 413.7073 368.3168 14.81_777.2583n 776.2128 14.81 463.1626 456.4157 363.9180 452.7417 464.5640 320.7367 14.81_778.2201m/z 778.2201 14.81 192.0789 161.9842 124.4099 153.8069 101.2476 68.2707 14.81_781.2816n 762.2637 14.81 600.6969 697.8091 549.1696 700.1979 584.7413 456.5395 14.81_786.2455m/z 786.2455 14.81 330.7061 354.7276 277.4362 328.4724 293.7919 309.3302 14.81_788.2315m/z 788.2315 14.81 208.6538 211.4078 190.2463 213.5612 226.8932 165.7573 14.81_830.2489m/z 830.2489 14.81 164.6121 173.4021 138.6142 164.9752 156.3643 113.6841 14.81_856.2159m/z 856.2159 14.81 63.1626 56.4275 68.9403 84.1019 49.1827 51.9110 14.81_950.6492m/z 950.6492 14.81 137.5321 192.3872 168.5590 212.0705 193.7889 203.6705 14.82_314.2408m/z 314.2408 14.82 112.3162 120.2502 104.7653 106.6368 97.8386 82.9982 14.82_362.8147m/z 362.8147 14.82 174.9125 129.9379 140.2183 124.5701 141.5677 142.5537 14.82_790.2283m/z 790.2283 14.82 204.9157 160.8848 145.1094 197.0259 168.4838 85.8287 14.82_846.1996m/z 846.1996 14.82 69.4049 84.2278 61.5826 83.5038 51.6968 30.2725 14.82_854.2256m/z 854.2256 14.82 140.1860 146.7790 127.1118 163.5976 144.5631 111.5473 14.83_317.2136m/z 317.2136 14.83 1618.2415 1585.7262 1547.5510 1576.3804 1660.8196 1606.2020 14.83_386.2005m/z 386.2005 14.83 18.7359 19.8924 4.1170 9.5978 10.0198 11.4318 14.83_491.2628m/z 491.2628 14.83 333.5647 361.6022 342.8635 359.2712 320.8785 322.4562 14.83_804.2165m/z 804.2165 14.83 104.6331 147.1427 103.5050 141.9770 156.5288 97.6685 14.83_810.2298m/z 810.2298 14.83 191.7238 161.5292 170.9928 164.0894 148.1859 109.0964 14.83_814.2332m/z 814.2332 14.83 51.5486 94.5151 81.6879 76.3618 89.5846 57.8998 14.84_249.1499m/z 249.1499 14.84 834.6476 885.7119 882.0540 814.4929 815.3805 1060.8583 C15H22O3 Gemfibrozil Gemfibrozil HMDB15371 HIGH 14.84_325.2356m/z 325.2356 14.84 1793.9091 1813.8853 1888.1875 1796.0986 1776.3698 1839.6937 14.84_349.2368m/z 349.2368 14.84 2121.4914 2133.9060 2160.0337 2070.0447 2060.1657 2127.6109 C21H34O4 Carbacyclin MEDIUM 14.84_447.3055m/z 447.3055 14.84 671.6038 665.8166 644.5808 646.9942 616.9873 563.6901 14.84_528.3005m/z 528.3005 14.84 8183.9308 8830.7508 7858.7857 9172.4001 8546.1061 8046.9705 14.84_576.2131m/z 576.2131 14.84 257.2763 253.5404 216.6393 243.4448 257.4869 208.5061 14.84_578.3017m/z 578.3017 14.84 2478.8701 2638.5531 2330.6321 2749.5487 2538.1114 2411.2341 14.84_588.3305m/z 588.3305 14.84 16741.8522 18289.7378 15929.9809 19050.2295 17645.9230 17003.5774 14.84_612.3279m/z 612.3279 14.84 2830.8283 3048.5185 2697.2936 3152.9167 2994.1977 2756.7398 14.84_646.2784m/z 646.2784 14.84 699.0332 756.6078 619.6908 808.3225 729.3153 633.8209 14.84_660.2555m/z 660.2555 14.84 712.9144 733.1156 645.5805 769.7554 741.3914 603.9288 14.84_675.3333n 656.3155 14.84 1565.4691 1577.4575 1472.3000 1726.3851 1640.8969 1489.4042 14.84_728.2232m/z 728.2232 14.84 90.2657 93.6398 43.2772 119.9592 106.0956 49.6522 14.84_732.2221m/z 732.2221 14.84 250.6850 242.5679 230.1172 293.9134 274.2053 265.2295 14.84_734.2223m/z 734.2223 14.84 203.8109 238.4309 173.2734 212.2888 245.6270 192.4461 14.84_736.2242m/z 736.2242 14.84 263.6047 312.5423 259.8334 351.2257 310.4732 214.0497 14.84_743.3039n 742.2483 14.84 1100.5033 1131.1267 1028.7928 1214.2276 1114.6122 1017.8260 14.84_746.2502m/z 746.2502 14.84 403.8121 431.8269 322.3661 453.3558 393.3850 349.8558 14.84_802.2072m/z 802.2072 14.84 134.4270 95.7400 78.5489 115.2216 126.9460 60.9732 14.84_812.2211m/z 812.2211 14.84 128.1506 90.8297 69.7450 111.8148 88.6698 70.2180 14.85_476.2780m/z 476.2780 14.85 3912.6651 4060.8951 3745.4777 4153.5275 3993.2358 3718.1379 14.85_516.2864m/z 516.2864 14.85 1248.4235 1209.4753 1061.7793 1316.3254 1215.5468 1023.5701 14.85_545.3322n 526.3143 14.85 6043.5288 6578.8316 5834.8600 7048.7521 6491.5280 5350.2105 14.85_594.2956m/z 594.2956 14.85 504.4037 544.8566 558.9219 716.3119 620.0646 555.7805 14.85_602.2839m/z 602.2839 14.85 494.5907 515.8150 507.0106 609.4046 602.4358 526.9636 14.85_617.2386n 598.2207 14.85 288.7598 354.2210 333.7296 393.8784 369.6610 378.6129 14.85_670.2429m/z 670.2429 14.85 178.9420 164.4933 146.3058 195.3642 180.5362 153.6603 14.85_684.2393m/z 684.2393 14.85 288.7008 250.1429 267.7308 310.5783 232.0240 189.4327 14.85_699.3008n 680.2829 14.85 873.7711 884.2297 743.9411 920.8610 903.9852 768.6488 14.85_702.2307m/z 702.2307 14.85 261.0734 296.6042 224.0446 279.0822 263.9832 240.1752 14.85_766.2131m/z 766.2131 14.85 167.3615 161.4212 151.6710 203.9083 170.9759 149.6040 14.85_792.2470m/z 792.2470 14.85 188.4881 219.2511 152.3254 206.4970 197.2033 172.2769 14.86_241.2130m/z 241.2130 14.86 51.1350 52.4467 51.0068 66.1578 54.0370 37.9024 14.86_337.2371m/z 337.2371 14.86 2186.3075 2113.0088 2208.3674 2113.8939 2119.6210 2168.0897 14.86_344.2264m/z 344.2264 14.86 158.3434 160.2927 175.4734 165.9876 166.5453 153.5377 14.86_380.2519m/z 380.2519 14.86 853.0436 815.2856 777.3595 884.5105 879.0768 743.2807 14.86_584.2498m/z 584.2498 14.86 557.5419 542.5764 521.0263 575.0915 586.5743 450.5665 14.86_626.2128m/z 626.2128 14.86 94.5237 103.2419 52.3669 83.0464 95.0314 51.1230 14.87_483.3582m/z 483.3582 14.87 2084.0912 2083.7164 2054.0503 2042.0623 2041.7359 2077.1720 14.87_500.2793m/z 500.2793 14.87 9703.1822 10037.9115 8932.9500 9587.6427 9698.5523 9162.8656 C32H39NO4 Fexofenadine Fexofenadine 5050 MEDIUM 14.87_533.2932m/z 533.2932 14.87 804.8832 928.6463 1946.5530 2163.5941 1941.1533 2336.1143 14.87_568.2672m/z 568.2672 14.87 1083.2817 1163.9817 1115.7593 1179.7794 1204.8584 1041.5320 14.87_600.1930m/z 600.1930 14.87 185.6483 196.5698 277.4561 295.4480 241.5747 268.8725 14.87_630.2292m/z 630.2292 14.87 258.7713 232.8878 192.8715 285.1785 220.2973 234.4355 14.87_704.2264m/z 704.2264 14.87 374.5796 359.8081 258.2329 362.8980 350.0380 255.4460 14.88_249.1801m/z 249.1801 14.88 295.3996 220.4583 241.7166 226.6285 263.2238 233.7603 14.88_263.1642m/z 263.1642 14.88 42.3003 43.3909 73.1419 42.9136 66.2007 63.3886 14.88_524.2781m/z 524.2781 14.88 2620.2465 2705.0906 2504.6044 2673.2504 2629.6151 2434.5257 14.88_608.2181m/z 608.2181 14.88 284.1739 324.6454 258.1197 298.4521 308.0425 271.5916 14.89_400.7901m/z 400.7901 14.89 346.6888 268.6775 302.6564 230.7382 297.4852 272.3991 14.90_328.8771m/z 328.8771 14.90 292.0848 238.6043 253.5381 209.9754 280.9737 218.2718 14.90_407.2753m/z 407.2753 14.90 776.5232 769.3081 762.4107 773.7170 764.2674 780.5197 14.90_446.1648m/z 446.1648 14.90 251.0113 285.9111 245.7387 278.6922 243.8684 284.2538 14.91_351.2519m/z 351.2519 14.91 897.6664 892.6014 979.2336 886.1300 871.7274 905.4773 14.91_405.2577m/z 405.2577 14.91 552.4836 545.0855 541.8534 534.4255 511.8673 530.4068 14.91_411.1338m/z 411.1338 14.91 55.9934 91.1818 68.7647 76.9914 80.7103 117.4616 14.91_423.2895m/z 423.2895 14.91 248.8973 254.7932 263.0612 274.8102 244.4618 254.7893 14.93_240.9479m/z 240.9479 14.93 211.1356 198.8224 234.5488 221.8586 180.3766 198.9406 14.93_313.2376m/z 313.2376 14.93 2394.6712 2351.5134 2337.4588 2287.8670 2324.9183 2437.2319 C18H34O4 Dibutyl decanedioate HMDB41220 109-43-3 HIGH 14.93_335.2190m/z 335.2190 14.93 244.2041 247.8391 277.8319 266.3867 222.3547 269.8212 14.93_419.2687m/z 419.2687 14.93 529.9891 539.3486 518.9336 569.5259 587.4172 597.9270 14.93_455.2563m/z 455.2563 14.93 2800.8595 2830.8208 2909.6901 2966.7101 2995.6730 3019.1267 14.93_577.3704m/z 577.3704 14.93 245.6285 223.8050 222.3583 227.5307 215.2267 233.5974 14.94_272.2300m/z 272.2300 14.94 57.9554 47.9028 78.9234 39.9472 51.4521 59.6917 14.94_339.2025m/z 339.2025 14.94 1792.7956 1854.7132 1986.9036 1900.0216 1867.9253 1950.7430 14.94_363.2507m/z 363.2507 14.94 3089.5545 3086.4794 3051.6836 3115.6018 3137.9108 3082.9169 14.94_375.2708m/z 375.2708 14.94 562.4696 551.5566 542.8244 560.2727 545.4092 524.6250 14.94_443.3080m/z 443.3080 14.94 181.4070 201.5836 201.8205 222.1061 177.3777 182.6322 14.94_551.3287m/z 551.3287 14.94 223.5086 221.9509 198.6236 220.9402 219.6664 227.9111 14.94_575.3510m/z 575.3510 14.94 160.4746 117.8991 147.6098 159.1518 153.6943 121.7249 14.95_269.2122m/z 269.2122 14.95 310.3366 299.3429 316.2787 308.4202 304.2095 312.2798 14.95_328.1618m/z 328.1618 14.95 2156.1964 2144.0290 2213.1161 2216.1762 2195.2310 2284.1654 14.95_328.6634m/z 328.6634 14.95 682.0588 635.6148 696.6958 690.3852 664.0057 708.6590 14.95_357.2041m/z 357.2041 14.95 383.4091 394.6444 378.0463 435.1209 442.7664 430.4447 14.95_370.8539m/z 370.8539 14.95 55.9485 47.9577 60.0340 43.0300 49.3803 37.4510 14.96_225.1858m/z 225.1858 14.96 3475.9114 3275.2537 3314.4980 3572.1425 3291.6507 3241.0404 14.96_293.1775m/z 293.1775 14.96 310.8853 353.9871 369.1782 386.9179 291.7623 367.6644 C14H30O4S Sodium Tetradecyl Sulfate 782257 MEDIUM 14.96_355.1427m/z 355.1427 14.96 133.8637 124.3225 150.0502 153.1498 142.9702 163.3938 14.96_371.0812m/z 371.0812 14.96 170.7143 169.1417 148.9386 146.8272 169.6034 159.9600 14.96_591.0186m/z 591.0186 14.96 141.4903 129.6803 130.1344 103.9533 138.4413 136.7348 14.96_702.2477m/z 702.2477 14.96 559.0022 559.1198 605.7805 520.0046 578.5520 587.8433 14.96_709.2830n 708.2263 14.96 1612.1149 1565.3296 1609.1576 1618.7859 1517.9899 1565.9636 14.96_730.2066m/z 730.2066 14.96 494.8540 449.9226 430.3515 463.7651 493.2538 475.3526 14.96_758.2359m/z 758.2359 14.96 525.5013 524.8592 535.9100 464.6031 519.7678 496.8158 14.96_768.2721m/z 768.2721 14.96 1170.1534 1076.5220 1116.6824 1102.6649 1115.5011 1060.5888 14.96_777.2343m/z 777.2343 14.96 182.4081 169.1097 239.7304 151.6358 122.6408 166.7637 14.96_802.2128m/z 802.2128 14.96 522.3075 457.4741 482.8977 409.8416 429.9194 410.2231 14.96_830.2400m/z 830.2400 14.96 747.1579 688.3712 701.0688 626.9224 676.1631 596.1010 14.98_333.1662m/z 333.1662 14.98 331.0885 356.7929 283.8241 368.1029 337.8467 347.7804 14.98_335.1624m/z 335.1624 14.98 571.6287 569.2957 496.8491 627.7794 626.8972 502.0482 14.98_359.1645m/z 359.1645 14.98 126.8297 124.5263 105.7369 145.3462 154.2684 127.3330 14.98_361.1633m/z 361.1633 14.98 547.6138 556.3213 506.1447 504.5298 529.1782 538.5906 14.98_399.1582m/z 399.1582 14.98 391.1689 370.8346 351.9656 352.0534 378.1267 335.9905 14.98_439.2460m/z 439.2460 14.98 342.4148 358.4254 362.8445 355.2413 343.9326 376.7769 14.98_622.2866m/z 622.2866 14.98 1435.8907 1468.0544 1549.7221 1512.7169 1396.4720 1536.0762 14.98_644.2781m/z 644.2781 14.98 93.2559 134.4228 137.5093 138.6016 103.4099 136.8508 14.98_651.3345n 632.3167 14.98 9995.7469 9810.0190 9836.6890 9875.3945 9882.6021 9582.3058 14.98_664.2421m/z 664.2421 14.98 1265.2865 1329.7817 1352.1971 1424.2286 1300.0643 1270.8292 14.98_700.2978m/z 700.2978 14.98 2017.8206 1915.3632 2054.9298 1967.8916 1952.5635 1963.0998 14.98_710.2272m/z 710.2272 14.98 1019.8592 977.1843 1040.6980 1037.2474 980.7360 997.6089 14.98_712.2278m/z 712.2278 14.98 1557.0649 1506.8469 1594.2934 1537.2841 1562.5212 1528.4887 14.98_718.2564m/z 718.2564 14.98 2692.6368 2523.6607 2635.0602 2593.3903 2656.3218 2616.0594 14.98_741.2664n 722.2486 14.98 3445.0276 3324.7679 3482.3358 3329.0107 3444.6363 3369.3687 14.98_744.5144m/z 744.5144 14.98 221.1403 207.4573 199.3281 228.8769 242.7262 192.8209 14.99_172.9669m/z 172.9669 14.99 406.3837 393.2903 414.4008 406.7507 407.4008 413.1967 14.99_198.9652m/z 198.9652 14.99 409.3912 430.9236 449.0447 402.8264 420.6816 426.5087 14.99_213.1858m/z 213.1858 14.99 315.0456 283.8416 322.6108 304.1143 307.5564 282.0895 C13H26O2 Methyl dodecanoate Methyl dodecanoate MEDIUM 14.99_218.9720m/z 218.9720 14.99 189.8262 187.0443 183.7355 176.5970 194.6698 176.7629 14.99_279.2324m/z 279.2324 14.99 2901.0099 3129.4102 2933.7306 3316.2975 3177.7445 3078.0603 C18H32O2 Linoleic acid Linoleic acid 17351 HIGH 14.99_342.2136m/z 342.2136 14.99 115.1327 114.4031 100.8740 117.9020 106.4362 101.1348 14.99_504.3085m/z 504.3085 14.99 85717.8603 88974.2497 85477.2399 94466.5795 90644.7348 89306.7477 14.99_554.3030m/z 554.3030 14.99 21380.1325 21594.3625 21328.2491 22181.8300 21777.2905 21573.4093 14.99_564.3298m/z 564.3298 14.99 225053.6404 232979.0291 225165.2713 242011.0322 233540.7517 232282.6230 14.99_564.5305m/z 564.5305 14.99 2535.4623 2491.1136 2155.3300 2457.8133 2047.9146 1536.6959 14.99_636.2573m/z 636.2573 14.99 3541.8650 3403.0165 3473.7488 3428.1035 3327.2709 3194.7132 14.99_678.3004m/z 678.3004 14.99 419.8681 424.9987 453.6212 462.5231 402.8786 435.0708 14.99_818.5845m/z 818.5845 14.99 492.7255 467.8798 445.8028 441.6028 480.0131 518.3515 15.00_155.9767m/z 155.9767 15.00 19.6728 18.5171 15.6918 31.0760 25.9131 20.1151 15.00_293.2095m/z 293.2095 15.00 513.8213 445.7800 480.6774 451.3456 509.4359 441.5108 15.00_415.2427m/z 415.2427 15.00 759.4510 787.2681 738.2314 791.1949 817.7090 766.3230 C21H32N6O3 Alfentanil Alfentanil 2569 MEDIUM 15.00_441.2398m/z 441.2398 15.00 1274.5067 1321.7707 1356.3658 1440.6579 1332.2060 1408.3583 15.00_552.3165m/z 552.3165 15.00 7168.7241 7389.8522 6974.3302 7866.9860 7512.7827 7275.0534 15.00_602.2949m/z 602.2949 15.00 1921.5276 1947.7892 1999.0757 2108.4918 1930.1142 2163.4218 15.00_612.3282m/z 612.3282 15.00 13113.9851 13459.1684 12963.1636 14108.8145 13477.6322 13359.7753 15.01_303.2323m/z 303.2323 15.01 1005.1773 1039.1241 991.1564 1131.3054 1050.7381 1038.3804 C20H32O2 Drostanolone 34838 HIGH 15.01_351.1638m/z 351.1638 15.01 350.7961 361.7972 348.0739 384.9392 392.2752 302.5311 15.01_528.3085m/z 528.3085 15.01 27401.2178 28829.3940 26964.5495 30208.8438 29185.1407 28593.0888 15.01_540.2765m/z 540.2765 15.01 639.3596 1619.9526 1610.3789 2003.5161 694.6837 1752.6286 15.01_578.3008m/z 578.3008 15.01 7883.5186 7954.8084 7770.9471 8276.7474 8067.8000 8083.7150 15.01_588.3298m/z 588.3298 15.01 71618.6649 74426.1954 70241.1894 77509.8541 74641.4608 75755.8846 15.01_646.2890m/z 646.2890 15.01 1556.8762 1566.4034 1481.5553 1564.6217 1593.1807 1534.4765 15.01_656.3153m/z 656.3153 15.01 4004.1256 3890.0372 3923.2872 4044.6803 3957.4077 4010.8417 15.01_660.2588m/z 660.2588 15.01 1606.4013 1583.2901 1599.4345 1646.3295 1569.5046 1482.0415 15.01_674.2623m/z 674.2623 15.01 1435.9832 1408.8986 1404.7911 1453.5064 1393.3854 1364.3657 15.01_680.2888m/z 680.2888 15.01 1430.4898 1349.1633 1410.2798 1485.8422 1427.4868 1372.8761 15.01_842.5867m/z 842.5867 15.01 264.4251 297.2052 283.6727 296.2913 301.3429 312.2824 15.01_980.6500m/z 980.6500 15.01 76.8771 59.3662 88.6722 85.6539 72.8594 86.2238 15.02_204.9527m/z 204.9527 15.02 48.1553 56.8464 47.2980 52.6968 47.3508 55.4552 15.02_439.3372m/z 439.3372 15.02 2306.3797 2258.8562 2393.8857 2322.5297 2348.6859 2411.8809 15.02_447.3404m/z 447.3404 15.02 343.4900 344.8137 336.5758 323.5706 350.1328 346.2724 15.02_476.2774m/z 476.2774 15.02 23758.1396 25575.1690 24131.9600 27111.3165 25271.9219 23446.2313 15.02_574.1683m/z 574.1683 15.02 388.0481 442.5758 453.2394 478.8362 448.0423 421.2682 15.02_576.1785m/z 576.1785 15.02 550.3862 575.8825 607.5576 614.1388 582.5318 561.2895 15.02_584.2054m/z 584.2054 15.02 825.5404 837.3128 773.7376 964.6258 929.7034 804.3152 15.02_586.1955m/z 586.1955 15.02 414.8875 464.5737 451.9139 521.9935 460.8277 426.9016 15.02_624.2249m/z 624.2249 15.02 665.9562 595.2212 615.7393 619.3517 690.8335 577.2568 15.02_732.2164m/z 732.2164 15.02 1848.0126 1687.6271 1848.0216 1749.1225 1787.9016 1695.8244 15.02_742.2419m/z 742.2419 15.02 1087.2018 1039.6568 1030.8299 1022.7743 1080.8492 1030.8833 15.02_763.2666n 744.2487 15.02 3563.7038 3356.4046 3411.6345 3535.7120 3381.2988 3252.4113 15.02_786.2454m/z 786.2454 15.02 755.0255 686.7997 740.3432 736.6535 682.7252 675.9347 15.02_811.2650n 810.2208 15.02 1330.3671 1071.1270 1235.6306 1146.0080 1095.7444 1015.8650 15.02_995.6102m/z 995.6102 15.02 3825.6655 4311.4669 3829.3947 4693.8788 4351.6804 3675.3713 15.03_205.1950m/z 205.1950 15.03 55.3266 66.4234 47.4087 70.5009 57.2380 61.4071 15.03_228.2047m/z 228.2047 15.03 85.0616 88.0090 92.4235 93.9941 89.1993 92.2814 15.03_249.1856m/z 249.1856 15.03 1510.4365 1503.5411 1451.7112 1556.9819 1551.4587 1415.5560 15.03_323.2572m/z 323.2572 15.03 1506.1470 1486.6961 1433.3634 1550.2205 1454.4279 1407.0284 15.03_339.2510m/z 339.2510 15.03 4944.8072 4756.2228 4963.9586 4767.0602 4879.7679 4828.9100 15.03_500.2774m/z 500.2774 15.03 19900.6293 21378.6592 19934.4889 22586.6513 20947.6933 19973.5291 C32H39NO4 Fexofenadine Fexofenadine 5050 MEDIUM 15.03_524.2776m/z 524.2776 15.03 9836.9118 10337.6375 9925.4872 10944.0396 10118.9896 9792.8778 15.03_536.3043m/z 536.3043 15.03 1025.1186 1101.6755 1096.7636 1112.1995 974.9019 1051.4604 15.03_544.2658m/z 544.2658 15.03 1630.1247 1520.5362 1609.7940 1623.4514 1583.3176 1499.4767 15.03_560.2359m/z 560.2359 15.03 427.6306 501.0551 473.0808 544.1930 464.2810 542.2775 15.03_569.2728m/z 569.2728 15.03 1139.0332 1162.7254 1231.7146 1364.6651 1166.8081 1187.2655 15.03_600.2035m/z 600.2035 15.03 892.7683 950.0793 937.4388 1007.5135 1009.5588 931.0560 15.03_611.2860n 592.2682 15.03 1388.8575 1408.6211 1424.0341 1532.2771 1411.1591 1364.6364 15.03_630.2329m/z 630.2329 15.03 526.0420 538.2149 547.4504 570.0140 518.1233 456.7332 15.03_635.2890n 616.2711 15.03 1181.4772 1149.1383 1071.3318 1198.6965 1187.4485 1041.6625 15.03_644.1811m/z 644.1811 15.03 358.0102 354.9367 337.3303 327.7756 365.3255 366.0415 15.03_654.2631m/z 654.2631 15.03 569.2591 564.0049 636.4984 636.0111 542.0080 583.0238 15.03_704.2348m/z 704.2348 15.03 848.8004 787.5669 832.1360 886.1027 847.5582 763.5376 15.03_826.2132m/z 826.2132 15.03 465.1238 430.2436 437.8009 421.5043 390.5918 403.6325 15.03_854.2279m/z 854.2279 15.03 196.7194 148.2955 179.2324 139.8354 162.5913 129.2765 15.04_295.2259m/z 295.2259 15.04 831.1166 819.8265 815.6745 875.1759 849.8883 790.3182 C18H34O4 Dibutyl decanedioate HMDB41220 109-43-3 MEDIUM 15.04_361.2309m/z 361.2309 15.04 525.3384 490.1290 496.9374 488.7818 537.2785 508.5691 15.04_375.2500m/z 375.2500 15.04 603.4587 594.0241 628.7351 621.4691 637.6215 605.4946 15.04_383.2042m/z 383.2042 15.04 173.5669 198.2574 168.6723 202.3935 214.9977 205.3695 15.04_515.3072m/z 515.3072 15.04 185.7873 250.1679 208.2362 254.5012 202.3489 229.6353 15.04_549.2988m/z 549.2988 15.04 767.2778 776.4986 762.8947 786.0336 771.9440 783.4437 15.04_641.2081m/z 641.2081 15.04 327.6320 330.2046 348.1688 321.1775 306.1681 291.6627 15.04_761.2215m/z 761.2215 15.04 56.0812 65.6777 91.4574 61.4968 47.3835 57.2673 15.04_971.6100m/z 971.6100 15.04 663.3851 825.3056 645.3284 902.6094 842.1708 564.0465 15.05_270.2123m/z 270.2123 15.05 9.0636 12.0394 15.8210 6.5796 14.4448 3.9989 15.05_540.3301m/z 540.3301 15.05 51666.9277 55729.9238 50361.4133 57288.5727 53438.0066 45241.2007 15.05_698.2392m/z 698.2392 15.05 1046.0687 1049.8408 1016.6179 1092.7031 1018.9108 998.0084 15.05_729.2239m/z 729.2239 15.05 96.3455 92.8396 95.2297 86.2338 83.9015 111.4181 15.05_749.2157m/z 749.2157 15.05 322.4114 312.5839 307.9674 317.4100 296.5501 316.0042 15.05_757.2722n 738.2543 15.05 885.5101 872.5473 881.5579 837.8803 848.1479 839.2810 15.05_796.2149m/z 796.2149 15.05 225.3853 202.8006 241.1028 228.6049 274.2269 195.2096 15.05_813.2338m/z 813.2338 15.05 379.2771 349.5448 420.6089 317.4597 342.3162 243.1626 15.05_820.2083m/z 820.2083 15.05 171.0052 146.1689 137.9115 125.7218 95.5949 119.7305 15.05_822.1987m/z 822.1987 15.05 147.7540 170.9081 167.3795 117.7729 139.0600 160.7911 15.06_243.1936m/z 243.1936 15.06 22.4306 32.3044 26.1553 17.4956 25.9227 28.8973 15.06_355.1471m/z 355.1471 15.06 91.6508 76.5630 89.8938 76.4830 87.4693 84.2077 15.06_471.3387m/z 471.3387 15.06 241.2750 211.4876 246.1502 275.0527 257.9015 263.1142 15.06_533.2996m/z 533.2996 15.06 968.2551 1005.2584 1885.7802 1856.5864 1563.0397 1756.5240 15.06_598.2858m/z 598.2858 15.06 459.7334 456.5491 435.2126 523.5327 607.9575 398.0051 15.06_627.3344n 608.3166 15.06 3804.9829 3831.7631 3575.3227 3719.0871 3791.5067 3150.8870 15.06_654.2887m/z 654.2887 15.06 284.0357 261.6670 244.3695 221.5724 291.5272 230.6814 15.06_676.2850m/z 676.2850 15.06 1700.2715 1719.7673 1771.0351 1807.8892 1794.2909 1595.5827 15.06_684.2377m/z 684.2377 15.06 831.1937 784.9177 734.7146 827.2895 761.1791 729.8571 15.06_686.2373m/z 686.2373 15.06 620.3289 610.0135 590.9580 621.6058 591.8351 589.2733 15.06_689.3015n 670.2837 15.06 2747.8660 2567.5552 2668.2334 2700.4782 2716.1679 2474.6763 15.06_694.2730m/z 694.2730 15.06 2744.7107 2590.6244 2579.2860 2642.1869 2590.4217 2431.1992 15.06_752.2112m/z 752.2112 15.06 337.8477 284.8862 296.0792 278.4566 339.4587 245.3794 15.06_754.2073m/z 754.2073 15.06 304.8875 275.4291 321.3714 281.1733 324.2445 310.9379 15.06_766.2334m/z 766.2334 15.06 570.3991 505.3988 544.8595 511.0317 518.7352 501.9204 15.06_783.2206m/z 783.2206 15.06 76.3947 65.6735 74.1642 69.4937 79.8447 71.2750 15.06_784.2241m/z 784.2241 15.06 201.5644 211.9938 233.6921 226.4901 216.5644 200.9178 15.06_806.2317m/z 806.2317 15.06 646.0776 607.8278 626.0637 554.4665 483.4825 429.0900 15.07_225.1858m/z 225.1858 15.07 2176.9641 2285.1472 2205.7789 2343.3655 2394.0301 2162.4664 15.07_293.1779m/z 293.1779 15.07 257.6630 233.9031 242.7543 231.4764 249.9603 250.3080 C14H30O4S Sodium Tetradecyl Sulfate 782257 MEDIUM 15.07_347.2584m/z 347.2584 15.07 3354.9041 3447.7708 3241.3670 3492.7524 3391.9283 3260.0942 15.07_361.0541m/z 361.0541 15.07 89.2547 95.4034 92.5149 99.6927 107.3348 91.6837 15.07_392.2222m/z 392.2222 15.07 421.3037 423.5685 434.8638 453.3137 442.4321 394.4551 15.07_401.1766m/z 401.1766 15.07 306.0637 283.3469 281.1845 310.5117 328.1271 275.7947 15.07_417.2094m/z 417.2094 15.07 220.8567 231.6806 173.4181 222.6625 202.9754 208.9675 15.07_446.1601m/z 446.1601 15.07 588.9468 653.4751 616.4723 635.0663 617.8776 644.7977 15.07_547.0212m/z 547.0212 15.07 395.4835 392.6985 392.5121 391.7144 403.4511 396.4748 15.07_549.0182m/z 549.0182 15.07 305.5150 285.9112 269.9934 302.6036 279.2099 314.4144 15.07_555.0500m/z 555.0500 15.07 236.8620 240.0362 232.9829 265.9572 228.3046 255.0509 15.07_557.0483m/z 557.0483 15.07 476.2566 507.4282 483.7313 495.8000 480.3685 481.3789 15.07_589.0292m/z 589.0292 15.07 334.4489 368.3364 380.7614 343.6715 333.8723 366.7576 15.07_593.0251m/z 593.0251 15.07 934.0226 915.4412 960.6137 919.8444 912.0156 971.2055 15.07_771.2131m/z 771.2131 15.07 168.6817 174.5399 170.6744 187.7335 186.7646 135.2678 15.07_791.2373n 772.2194 15.07 1388.0005 1273.2903 1242.8963 1122.4263 1250.9479 1080.7547 15.08_331.2620m/z 331.2620 15.08 229.4072 223.3949 218.0519 231.5278 197.9900 218.5248 15.08_545.0265m/z 545.0265 15.08 429.6203 447.0085 436.8283 448.4278 447.9706 439.9312 15.08_591.0275m/z 591.0275 15.08 1014.1765 983.7180 999.7097 972.2422 1016.2541 1021.0048 15.08_595.0232m/z 595.0232 15.08 782.2762 763.7605 806.5836 787.9541 740.2882 806.3298 15.08_620.2966m/z 620.2966 15.08 266.5029 288.2948 278.3391 315.6143 367.1182 239.3540 15.09_371.2290m/z 371.2290 15.09 940.4508 952.4627 958.0119 1034.1392 979.7588 907.9407 15.09_459.3035m/z 459.3035 15.09 2396.7952 2352.9287 2349.5995 2368.2796 2429.6633 2484.5492 15.10_185.1184m/z 185.1184 15.10 114.9763 102.4582 104.3584 108.5722 106.9268 121.2274 15.10_299.2585m/z 299.2585 15.10 10590.8288 10366.0861 10371.5001 10384.9965 10776.9813 10561.5009 15.10_367.2449m/z 367.2449 15.10 677.0534 685.6118 695.3309 667.3266 670.4624 680.8204 15.10_521.3405m/z 521.3405 15.10 1354.1433 1339.7293 1392.0494 1424.2189 1400.6018 1424.9218 15.11_112.9396m/z 112.9396 15.11 46.9166 37.3413 28.0521 38.1990 31.5612 27.7437 15.11_207.1385m/z 207.1385 15.11 52.7984 58.3530 52.9593 37.7762 68.5423 49.5323 15.11_595.3593m/z 595.3593 15.11 309.0295 376.4138 416.7492 443.8601 417.3920 452.7140 15.12_213.1858m/z 213.1858 15.12 370.4065 386.6258 394.3489 372.4053 385.7073 394.4877 C13H26O2 Methyl dodecanoate Methyl dodecanoate HIGH 15.12_240.9526m/z 240.9526 15.12 225.2632 206.5384 247.3452 210.4357 195.6591 194.2322 15.12_257.2118m/z 257.2118 15.12 220.8593 244.1153 227.4362 242.1414 246.9362 209.9019 15.12_305.2470m/z 305.2470 15.12 87.7231 85.1296 82.4175 121.8474 106.2766 95.4133 15.12_417.3318m/z 417.3318 15.12 587.0404 647.8070 663.1409 626.5395 664.1707 649.5065 15.12_509.3066m/z 509.3066 15.12 1078.8911 1211.7516 1173.0882 1259.4426 1118.6256 1246.3456 15.12_549.3612m/z 549.3612 15.12 978.1896 970.3880 987.3496 987.4245 972.6823 1000.8978 15.12_590.3427m/z 590.3427 15.12 4410.2187 4768.8302 4190.6682 4985.2593 4688.2512 4560.0550 15.13_294.6189m/z 294.6189 15.13 253.5153 258.7317 248.4071 254.0655 301.6746 304.6150 15.13_357.6841m/z 357.6841 15.13 189.5486 207.0212 202.1941 221.2813 226.1993 211.3256 15.13_455.3277m/z 455.3277 15.13 320.7534 335.7214 336.7552 334.4716 308.5371 298.4576 15.14_208.8888m/z 208.8888 15.14 259.8540 232.7227 237.1381 230.4276 264.4189 243.5694 15.14_218.9653m/z 218.9653 15.14 111.1730 129.4982 123.8622 134.3975 125.7374 130.7852 15.14_313.2338m/z 313.2338 15.14 272.2922 291.9171 284.0841 281.3401 286.2524 337.6726 15.14_327.2478m/z 327.2478 15.14 536.5745 549.0975 555.1154 541.9100 554.3189 536.9613 15.14_357.1822m/z 357.1822 15.14 870.4925 870.5819 849.1485 867.3674 865.6424 836.2991 15.14_385.2549m/z 385.2549 15.14 1143.3190 1139.5009 1142.6554 1116.5034 1114.3809 1117.0548 15.14_457.3096m/z 457.3096 15.14 540.0794 547.7386 528.7923 536.2818 536.4398 569.5560 15.14_479.3338m/z 479.3338 15.14 919.9583 909.5553 927.1609 913.3881 934.4147 924.4268 15.15_400.7928m/z 400.7928 15.15 261.3997 217.1652 269.6235 180.9145 194.3850 223.3905 15.15_470.2649m/z 470.2649 15.15 743.4955 753.5448 768.1644 761.3152 768.7305 769.3030 15.15_502.2929m/z 502.2929 15.15 839.7930 852.2931 809.1655 874.3325 857.2218 812.4837 15.15_515.3041m/z 515.3041 15.15 937.6088 1020.4025 967.1307 1096.4402 1079.3006 971.6387 15.16_280.8360m/z 280.8360 15.16 324.2938 257.8360 282.7568 260.1344 298.8574 299.1446 15.16_294.2013m/z 294.2013 15.16 34.9153 38.3034 50.1526 16.6559 19.1612 21.5848 15.16_297.2431m/z 297.2431 15.16 26347.6991 25865.8990 26002.1662 26839.7884 26660.6151 25596.2208 15.16_397.1718m/z 397.1718 15.16 749.4726 690.4868 709.8004 703.4005 728.6425 704.4415 15.16_405.2276m/z 405.2276 15.16 325.1625 329.3928 322.5824 313.7039 302.4296 310.8168 15.16_407.2490m/z 407.2490 15.16 1115.9617 1113.8014 1155.8911 1125.9221 1115.9005 1155.6727 15.16_411.2391m/z 411.2391 15.16 941.9710 894.7007 887.3209 932.9663 891.6679 924.8561 15.16_427.2059m/z 427.2059 15.16 599.2285 600.7356 624.0186 598.3690 640.5007 618.0617 15.16_431.1113m/z 431.1113 15.16 458.6469 511.4816 485.4166 507.1517 573.0778 503.9117 15.16_441.1397m/z 441.1397 15.16 359.8780 360.9225 373.1290 357.8956 380.3657 365.9421 15.16_443.1370m/z 443.1370 15.16 381.9309 381.5239 368.7242 414.5783 360.8177 369.8709 15.16_452.1243n 433.1065 15.16 856.5946 874.2809 851.7931 856.5151 879.2482 846.2112 15.16_454.1216n 435.1038 15.16 615.3889 654.5166 595.1690 681.5728 750.5431 663.8947 15.16_575.0298m/z 575.0298 15.16 286.3638 257.8526 287.8416 294.8190 266.4752 280.1206 15.16_577.0122m/z 577.0122 15.16 392.2840 411.4967 406.3918 406.6392 379.3849 342.3065 15.16_579.0060m/z 579.0060 15.16 387.9763 384.7423 370.4168 437.4571 411.0232 407.6000 15.16_581.0102m/z 581.0102 15.16 535.2788 510.4175 566.3959 588.0699 563.4396 483.6844 15.16_585.0404m/z 585.0404 15.16 273.7994 252.1438 227.4478 261.6473 320.2575 283.8149 15.16_608.0502n 589.0323 15.16 320.1091 296.4933 297.7149 340.9197 325.1468 300.9016 15.18_259.1911m/z 259.1911 15.18 336.7236 353.6787 339.0387 346.4587 344.7685 354.4794 15.18_329.1690m/z 329.1690 15.18 255.5106 262.5542 260.5086 290.5602 271.4478 276.4854 15.18_329.6699m/z 329.6699 15.18 45.8740 62.0282 29.0381 81.4680 41.1568 63.7509 15.18_351.2525m/z 351.2525 15.18 2988.2670 2892.4215 2907.1118 2914.9255 2988.2343 2939.4280 15.18_441.3521m/z 441.3521 15.18 294.1042 330.0633 318.6019 325.5828 318.9223 316.1117 15.18_463.3387m/z 463.3387 15.18 5419.7134 5443.5896 5536.5603 5571.3741 5443.3333 5607.9317 15.18_485.3222m/z 485.3222 15.18 1464.4982 1502.9915 1435.3301 1507.3994 1508.4951 1531.5973 15.18_561.2186m/z 561.2186 15.18 297.6115 358.0147 337.8939 334.3604 355.6277 288.0283 15.20_188.8939m/z 188.8939 15.20 351.7393 290.5883 327.2799 269.8156 340.9050 330.4129 15.20_387.2496m/z 387.2496 15.20 3607.1743 3618.8760 3667.2569 3636.7756 3605.5163 3812.4407 15.20_430.2419m/z 430.2419 15.20 72.4981 82.0868 74.4877 92.8384 75.4706 82.6645 15.20_473.2303m/z 473.2303 15.20 1129.0042 1093.6499 1134.0193 1131.6172 1142.6424 1130.5173 15.20_623.0551m/z 623.0551 15.20 161.3853 136.3482 140.7330 138.9074 155.2908 143.1798 15.20_663.2000m/z 663.2000 15.20 65.8801 65.3964 52.3910 86.7410 109.0259 84.3019 15.20_869.4267m/z 869.4267 15.20 303.5668 291.4808 282.5901 268.8320 339.6643 388.0149 15.21_242.2161m/z 242.2161 15.21 216.7721 173.0469 229.0885 195.3697 208.1970 178.9205 15.21_321.2745m/z 321.2745 15.21 518.0086 455.7184 441.7460 444.3690 514.9659 450.1834 15.21_365.2673m/z 365.2673 15.21 12040.4950 11889.1182 11899.0470 11775.3340 11929.5161 12447.9665 15.21_604.3091m/z 604.3091 15.21 1129.5239 1143.5935 1031.6119 1201.5526 1115.9386 1182.4194 15.21_614.3446m/z 614.3446 15.21 5351.4874 5737.5278 5182.7391 6014.9582 5613.3985 5974.0445 15.21_635.0763m/z 635.0763 15.21 288.8067 210.6761 228.8661 221.3772 264.3289 252.4505 15.21_637.0740m/z 637.0740 15.21 627.2579 581.5773 646.4266 578.8883 674.6815 620.7063 15.21_666.2746m/z 666.2746 15.21 237.4108 222.1920 236.8935 245.9993 243.1612 269.1710 15.21_708.2103m/z 708.2103 15.21 183.4318 140.1140 137.0714 160.9646 162.3034 188.1104 15.21_718.2349m/z 718.2349 15.21 1024.6810 911.9107 912.9089 971.1420 919.1638 975.2153 15.21_758.2354m/z 758.2354 15.21 44.8767 46.0601 32.1066 49.4290 58.1185 57.3400 15.22_489.3545m/z 489.3545 15.22 4495.0894 4345.6935 4480.4685 4644.6660 4519.4611 4685.2627 15.22_598.2897m/z 598.2897 15.22 2682.3429 2588.6909 2679.1726 2757.4854 2815.1037 2746.2613 15.22_631.2781n 612.2602 15.22 4140.2278 3885.6753 3865.6255 3726.1327 3681.9504 3658.6337 15.22_648.2794m/z 648.2794 15.22 2233.5673 2091.9836 2178.6684 2143.9310 2147.7539 2158.8128 15.22_670.2894m/z 670.2894 15.22 2560.1515 2430.9628 2380.8906 2379.7824 2445.0590 2326.1469 15.22_684.2288m/z 684.2288 15.22 1762.5801 1675.3741 1719.8356 1612.9174 1641.9823 1652.3502 15.22_792.5636m/z 792.5636 15.22 148.9427 141.6367 164.1951 135.1420 124.0970 201.3204 15.22_960.6465m/z 960.6465 15.22 355.8420 393.2362 1440.9713 1337.3902 967.3345 1096.9690 15.22_984.6847m/z 984.6847 15.22 493.4573 467.3088 509.8389 492.3935 466.2400 506.6128 15.23_540.3296m/z 540.3296 15.23 366052.6753 367503.0295 364323.8820 375483.2353 365494.0984 350356.0462 15.24_128.9743m/z 128.9743 15.24 123.3789 113.5587 102.5214 116.3616 111.5293 95.0359 15.24_136.9835m/z 136.9835 15.24 764.8763 737.0828 732.1171 762.2859 733.9269 739.1100 15.24_154.9742m/z 154.9742 15.24 2289.3568 2328.2403 2236.8354 2349.9209 2265.4267 2150.6299 15.24_209.3418m/z 209.3418 15.24 278.9401 312.0179 233.9650 339.8943 274.6214 179.8216 15.24_441.2453m/z 441.2453 15.24 1519.2807 1411.0087 1401.2458 1386.7080 1471.7421 1459.1056 15.24_480.3088m/z 480.3088 15.24 166966.5639 168572.3102 165129.6351 172728.0784 168093.8863 160827.3001 15.24_526.2931m/z 526.2931 15.24 1536.0693 1622.5445 1486.8262 1690.5835 1589.6640 1515.7181 15.24_540.5268m/z 540.5268 15.24 6196.9896 6039.2980 5683.3045 5799.9394 5027.8922 4190.8750 15.24_624.2850m/z 624.2850 15.24 393.8230 368.5882 418.6499 416.1839 436.5282 389.2137 15.24_975.6402m/z 975.6402 15.24 894.1692 943.0214 827.4078 956.5709 932.0984 885.1793 15.25_172.9667m/z 172.9667 15.25 476.8150 456.5657 490.5472 448.4142 460.8742 450.7534 15.25_176.0141m/z 176.0141 15.25 225.7763 184.5733 197.2739 177.3783 182.5607 173.3058 15.25_272.2306m/z 272.2306 15.25 65.6936 58.2904 57.7513 65.4300 63.8700 59.8042 15.25_361.1881m/z 361.1881 15.25 176.0876 182.4761 155.9240 190.2751 188.3847 150.3522 15.25_956.6507m/z 956.6507 15.25 169.9015 196.2713 166.6637 202.4612 177.8599 170.8160 15.26_218.9714m/z 218.9714 15.26 226.1919 219.0852 225.1572 222.9978 246.3489 208.2522 15.26_275.2012m/z 275.2012 15.26 1888.8071 1858.8981 1823.7687 1834.1321 1797.2028 1810.3225 15.26_299.2024m/z 299.2024 15.26 977.9080 885.6185 929.0563 884.0146 1073.9315 1159.0167 C20H28O2 13-cis-Retinoic acid HMDB06219 HIGH 15.26_439.2498m/z 439.2498 15.26 473.7353 490.3463 461.4161 466.1012 500.9436 493.5042 15.26_516.2461m/z 516.2461 15.26 424.3699 436.7305 442.3295 524.2268 493.4161 425.0429 15.26_557.3211m/z 557.3211 15.26 2000.5526 1979.0049 2005.8491 1973.9471 1998.5401 1995.6122 15.26_579.2257n 560.2078 15.26 1172.9278 1250.2281 1123.9833 1332.9904 1179.8999 1108.5739 15.26_622.3054m/z 622.3054 15.26 327.8799 328.4444 329.3801 344.6400 348.2412 299.2411 15.26_627.3342n 608.3164 15.26 13226.3387 12442.5524 12602.1874 12481.1950 12480.9450 12224.9347 15.26_640.2479m/z 640.2479 15.26 1308.8552 1195.0139 1307.9928 1264.5418 1197.0582 1310.5863 15.26_686.2347m/z 686.2347 15.26 1694.7962 1585.6245 1669.8773 1634.9715 1565.4917 1609.4326 15.26_694.2569m/z 694.2569 15.26 2171.5812 2033.5655 2089.8164 1975.0137 2026.2494 2007.0999 15.26_696.2515m/z 696.2515 15.26 1343.0022 1282.5436 1391.4561 1286.4114 1280.8002 1365.3151 15.26_794.5433m/z 794.5433 15.26 211.9090 193.8651 219.2813 224.3615 249.2795 262.3887 15.26_947.6093m/z 947.6093 15.26 1882.6441 2066.5314 1794.3898 2170.5094 1983.9735 1684.0461 15.27_216.9731m/z 216.9731 15.27 170.2106 162.7966 166.0518 158.4966 147.0364 164.6868 15.27_281.2482m/z 281.2482 15.27 321.3742 360.5031 321.1016 339.4932 339.0644 322.3257 C18H34O2 Oleic acid Oleic acid 16196 MEDIUM 15.27_295.2268m/z 295.2268 15.27 347.1061 341.5441 329.8400 339.3188 350.9578 330.5578 C18H34O4 Dibutyl decanedioate HMDB41220 109-43-3 MEDIUM 15.27_375.2668m/z 375.2668 15.27 497.5977 495.5417 469.1601 530.4618 468.0118 517.3354 15.27_421.2851m/z 421.2851 15.27 501.3108 465.1385 474.0125 459.1088 495.9253 468.5841 15.27_452.2777m/z 452.2777 15.27 14063.5798 14847.5637 13656.1127 15407.6798 14415.9319 13288.6059 15.27_520.2640m/z 520.2640 15.27 473.7258 485.4584 493.2958 505.8172 462.0509 498.4495 15.27_563.2247m/z 563.2247 15.27 238.9897 274.1107 217.7778 266.9381 259.5839 237.8749 15.27_588.2605m/z 588.2605 15.27 1044.6752 950.5764 967.6287 1014.2029 992.5289 986.2050 15.27_635.3219m/z 635.3219 15.27 157.4537 140.9031 144.6658 152.1269 160.9067 136.2496 15.27_650.2628m/z 650.2628 15.27 2279.9452 2140.1048 2219.5842 2140.6868 2164.7070 2161.4011 15.27_654.3052m/z 654.3052 15.27 1468.0032 1448.7168 1442.8309 1367.1435 1413.7885 1422.8767 15.27_674.2118m/z 674.2118 15.27 591.2246 537.4031 580.2472 568.9646 563.8611 582.2622 15.27_958.6678m/z 958.6678 15.27 366.2826 371.5130 365.2801 414.0302 382.1259 318.0660 15.28_305.2479m/z 305.2479 15.28 382.4477 410.7296 367.9488 455.6315 409.7663 409.7585 15.28_327.2501m/z 327.2501 15.28 277.2618 237.7321 259.5791 243.5675 285.4362 255.7872 15.28_512.3360m/z 512.3360 15.28 1669.7935 1708.2814 1670.1053 1865.0921 1699.3360 1734.2288 15.28_530.3077m/z 530.3077 15.28 39327.8810 39244.3692 39252.6972 40998.6242 39872.4724 39559.1332 15.28_580.3132m/z 580.3132 15.28 4312.2871 4370.3509 4139.7718 4598.2701 4323.7776 4609.1643 15.28_590.3456m/z 590.3456 15.28 32209.4780 34796.2715 30997.5564 36708.3506 34549.8603 35730.6278 15.28_662.2767m/z 662.2767 15.28 949.8635 913.6005 918.4001 994.5076 905.7996 933.9381 15.28_676.2931m/z 676.2931 15.28 5944.9764 5717.2504 5820.3756 5865.3608 5796.6907 5829.6320 15.28_690.2429m/z 690.2429 15.28 608.6823 586.4843 599.1819 640.0672 584.6296 576.0541 15.28_717.2721n 698.2543 15.28 3216.4058 3151.0132 3305.5963 3109.7419 3091.8593 3304.3764 15.28_778.2097m/z 778.2097 15.28 398.9037 273.6977 329.1479 227.8898 159.1895 210.5034 15.28_784.2282m/z 784.2282 15.28 1008.9315 927.3650 982.6149 909.6768 960.6821 964.3528 15.28_836.2004m/z 836.2004 15.28 224.3233 125.5101 197.3037 177.5929 94.7684 118.5709 15.28_973.6246m/z 973.6246 15.28 340.1541 342.9788 291.8768 351.3385 364.1825 263.2703 15.28_997.6241m/z 997.6241 15.28 395.4658 541.8648 431.9548 573.2454 514.6493 420.1919 15.29_594.2892m/z 594.2892 15.29 419.2073 487.0656 519.1017 475.9521 502.7296 505.7895 15.29_658.3296m/z 658.3296 15.29 2100.0939 2119.0669 1996.7307 2101.8761 2086.7228 2201.4337 15.29_680.2399m/z 680.2399 15.29 806.5261 763.3395 718.0564 743.9805 716.5846 725.7192 15.29_727.2890m/z 727.2890 15.29 491.6155 470.5692 481.5450 506.4954 497.5702 496.5417 15.29_734.2473m/z 734.2473 15.29 964.0233 957.5371 905.9122 939.0622 941.5630 1021.5827 15.29_738.2651m/z 738.2651 15.29 1402.0643 1304.7886 1413.0740 1351.6959 1301.9763 1291.0637 15.29_744.2664m/z 744.2664 15.29 3099.4754 3023.9714 3075.9060 2990.1770 3022.9682 3070.1590 15.29_767.2695n 766.2463 15.29 1172.7069 1110.6187 1028.1288 1116.1464 1066.6497 1096.3424 15.29_775.2453n 756.2275 15.29 569.3767 569.1335 470.7529 548.3755 493.7030 463.3229 15.29_777.2429n 758.2250 15.29 610.0132 546.9840 540.2596 562.9534 552.5800 494.4359 15.29_794.2739m/z 794.2739 15.29 220.1661 209.9795 204.1956 213.0963 212.2216 241.6605 15.29_807.2566n 788.2387 15.29 1329.3708 1168.0272 1166.2878 1192.7768 1103.4878 927.6389 15.29_818.2145m/z 818.2145 15.29 77.1272 85.9276 61.1898 73.3597 60.1428 52.4578 15.29_831.2790n 812.2611 15.29 941.5553 881.9489 992.1582 900.3340 763.2277 799.5000 15.29_838.2107m/z 838.2107 15.29 252.8264 243.1637 240.9435 225.9908 224.6843 222.0703 15.29_853.2447n 852.2120 15.29 517.9140 430.3024 384.3882 430.1406 384.3725 335.7965 15.29_854.2018m/z 854.2018 15.29 142.9529 103.9021 167.9844 155.5111 155.8354 136.7715 15.29_874.2291m/z 874.2291 15.29 247.4180 231.8676 196.2546 199.5751 200.5287 136.4342 15.29_880.2416m/z 880.2416 15.29 143.2942 149.2932 145.7076 98.0213 103.9796 108.3126 15.30_342.2630m/z 342.2630 15.30 250.9908 257.9565 267.0065 277.5195 276.3672 247.4118 15.30_371.2793m/z 371.2793 15.30 372.5191 392.2852 357.9224 400.8365 373.6683 387.2322 15.30_417.3321m/z 417.3321 15.30 1115.5940 1133.8891 1131.1558 1241.9377 1143.2988 1207.0227 15.30_521.1893m/z 521.1893 15.30 464.8264 439.3795 422.0328 438.8063 453.4837 432.3865 15.30_821.2455n 802.2277 15.30 573.5380 469.0772 469.3399 479.6694 445.3062 369.9688 15.30_828.2238m/z 828.2238 15.30 215.1486 177.1287 185.8709 202.5566 204.4979 214.8752 15.30_843.2262n 824.2084 15.30 554.5364 504.5888 501.8230 514.0860 449.8299 432.4782 15.30_856.2262m/z 856.2262 15.30 190.6542 170.2634 169.7148 161.7918 148.7976 126.5571 15.31_251.2014m/z 251.2014 15.31 2497.9815 2495.8766 2429.2729 2431.9150 2500.2435 2252.5092 15.31_361.1769m/z 361.1769 15.31 155.9699 125.8973 119.8577 157.2226 154.0031 166.4497 15.31_402.7805m/z 402.7805 15.31 91.0461 104.9486 82.3932 72.5889 78.1554 41.3951 15.31_408.2864n 389.2686 15.31 3271.8230 3142.2920 3107.1008 3018.3729 3272.8756 3028.8861 C24H40O5 Cholic acid Cholic acid HMDB00619 MEDIUM 15.31_502.2938m/z 502.2938 15.31 2825.8024 2965.6361 2762.9809 3114.3559 2957.8392 2923.9194 15.31_822.2113m/z 822.2113 15.31 115.1262 99.4941 129.5228 134.3917 103.0790 108.8963 15.32_585.2587m/z 585.2587 15.32 178.3289 230.0440 256.0066 205.9675 227.2091 192.2674 15.32_621.0532m/z 621.0532 15.32 353.6031 324.9580 386.7492 348.2513 352.0172 413.6957 15.32_637.0693m/z 637.0693 15.32 546.2874 431.2247 525.0967 452.2172 432.5429 465.5306 15.33_523.3465m/z 523.3465 15.33 1458.8306 1438.8556 1503.9252 1534.0750 1556.8348 1558.9125 15.33_538.3207m/z 538.3207 15.33 541.5746 532.2557 530.9920 617.9762 549.1330 537.3012 15.33_624.0537m/z 624.0537 15.33 248.8414 197.8093 274.3916 222.1049 220.3526 259.5795 15.34_228.9602m/z 228.9602 15.34 74.7984 67.0197 61.2276 53.9898 64.6659 72.1356 15.34_294.6194m/z 294.6194 15.34 145.7634 155.0571 146.2456 157.5631 149.1681 155.4696 15.34_319.2638m/z 319.2638 15.34 1375.5010 1369.3733 1403.5691 1383.6617 1428.5884 1447.4231 15.34_385.2362m/z 385.2362 15.34 188.6077 189.7295 163.0596 186.5458 162.1849 168.5175 15.34_578.3340m/z 578.3340 15.34 364.5017 366.4522 340.6055 352.8950 357.4996 311.3732 15.34_633.0792m/z 633.0792 15.34 362.1944 337.4398 366.8627 357.6654 361.2731 356.2943 15.34_795.3858m/z 795.3858 15.34 377.7061 332.6414 342.6347 299.3720 308.0671 324.7170 15.35_226.9680m/z 226.9680 15.35 284.4145 230.5311 272.5190 236.4861 252.9056 265.7004 15.35_279.1643m/z 279.1643 15.35 675.9237 485.7570 491.7675 482.3475 576.2846 644.1180 15.35_331.2602m/z 331.2602 15.35 94.6360 101.6360 77.9372 95.9768 119.4736 89.8654 15.35_604.2881m/z 604.2881 15.35 1240.6534 1301.9878 1158.3131 1363.5210 1190.4286 1202.4068 15.35_614.3454m/z 614.3454 15.35 4160.2540 4666.0575 4009.7955 4925.5956 4315.7696 4472.4570 15.35_682.2953m/z 682.2953 15.35 2529.8957 2403.8706 2268.5305 2512.0791 2429.5855 2244.5958 15.36_239.2017m/z 239.2017 15.36 271.2065 255.9940 266.7571 267.7563 245.2685 265.6244 15.36_328.8747m/z 328.8747 15.36 826.2553 684.4499 851.9389 724.8061 767.8219 805.4769 15.36_619.2867m/z 619.2867 15.36 381.4677 909.2619 1103.5245 998.7256 1147.4765 1109.6613 15.37_421.3456m/z 421.3456 15.37 225.0967 251.1019 234.2234 256.3621 237.4001 255.3974 15.37_457.3454m/z 457.3454 15.37 2054.9692 2041.6688 2020.0137 2067.9573 2035.6388 2146.9685 15.37_526.2943m/z 526.2943 15.37 1769.9854 1921.4692 1765.7145 2005.0458 1865.1332 1846.3708 15.37_572.3488n 571.2943 15.37 2672.2038 2575.2428 2665.0118 2741.4600 2667.4721 2740.7504 15.37_594.2867m/z 594.2867 15.37 536.3099 638.1614 632.8154 698.3368 682.2257 649.6462 15.38_108.9894m/z 108.9894 15.38 68.2055 78.6606 72.6879 76.7302 66.0760 76.3135 15.38_138.8701m/z 138.8701 15.38 705.4319 628.9160 728.6206 613.0599 644.3251 721.2917 15.38_346.2772m/z 346.2772 15.38 486.2073 507.6385 450.4430 513.2327 517.2055 524.4163 15.38_445.3477m/z 445.3477 15.38 604.3197 621.4108 611.2715 589.4704 627.4751 614.6736 15.38_621.3495m/z 621.3495 15.38 407.7217 489.4895 484.7970 543.7403 469.2400 428.2684 15.39_350.2681m/z 350.2681 15.39 30.7824 24.6842 30.7455 24.8935 30.4883 12.0285 15.39_365.2697m/z 365.2697 15.39 5339.3743 5207.7154 5280.3032 5190.1202 5211.6364 5347.7605 15.39_405.2818m/z 405.2818 15.39 358.2310 377.1987 344.0863 388.6054 358.3899 385.3035 15.39_409.2799m/z 409.2799 15.39 3176.4506 3032.1180 3177.4872 3158.2622 3223.1862 3177.3389 15.39_423.3039m/z 423.3039 15.39 518.9756 529.4376 475.6153 532.8807 537.8452 529.0768 15.39_455.3673m/z 455.3673 15.39 1131.6992 1179.7489 1114.7408 1162.0119 1168.9793 1135.8654 15.40_149.0004m/z 149.0004 15.40 78.8191 86.1941 91.9454 87.4899 76.4861 84.2410 15.40_315.1974m/z 315.1974 15.40 539.5280 555.5458 553.7119 554.6450 566.1641 589.2506 C20H28O3 "15-Deoxy-d-12,14-PGJ2" HMDB05079 MEDIUM 15.40_341.2689m/z 341.2689 15.40 1812.2828 1814.8079 1791.6149 1866.1455 1777.7423 1862.1115 15.40_425.3240m/z 425.3240 15.40 1534.9081 1519.9676 1488.9772 1454.5417 1475.1042 1485.5116 15.40_431.3116m/z 431.3116 15.40 1832.6340 1834.1065 1783.8903 1879.0501 1857.8325 1896.5791 15.40_547.2802m/z 547.2802 15.40 1318.1706 1292.1234 1284.5973 1337.7355 1258.2543 1403.0154 15.40_574.2987m/z 574.2987 15.40 1060.2456 1107.4251 1016.9104 1078.9187 979.4099 1086.8343 15.40_711.3053n 710.2365 15.40 3271.6298 3119.6257 3063.7414 3172.2391 3012.6288 3096.4130 15.40_732.2222m/z 732.2222 15.40 349.6691 366.3752 421.4517 400.0356 329.7139 367.8832 15.40_734.2290m/z 734.2290 15.40 528.8512 564.4799 598.0272 580.7183 501.2939 609.9663 15.40_856.2396m/z 856.2396 15.40 190.0314 121.0434 176.5658 130.8851 117.6040 120.9884 15.40_862.6323m/z 862.6323 15.40 143.0174 212.5021 193.9643 207.2329 225.8289 305.7792 15.40_878.2241m/z 878.2241 15.40 291.2715 241.5572 215.9445 189.9505 175.7175 172.2393 15.40_987.6776m/z 987.6776 15.40 96.0898 139.0923 227.8583 286.6582 205.4759 176.6995 15.42_155.9778m/z 155.9778 15.42 11.3445 14.8002 17.0456 19.5901 15.4541 15.5184 15.42_455.2588m/z 455.2588 15.42 721.0498 704.1456 700.2132 737.6385 734.9205 738.4209 15.42_624.3041m/z 624.3041 15.42 3471.3961 3438.9439 3340.6786 3641.6462 3472.5795 3284.2067 15.42_664.2645m/z 664.2645 15.42 772.1460 905.1338 856.0584 966.0118 808.0232 794.4194 15.42_680.3013m/z 680.3013 15.42 1239.5204 1203.1871 1170.0836 1245.4962 1212.0482 1153.4766 15.42_721.3308n 720.2631 15.42 8824.3465 8747.0015 8828.9761 8929.4700 8481.1739 8851.5208 15.42_761.2682n 760.2583 15.42 3718.0676 3596.8651 3386.1624 3578.7923 3582.0242 3390.9039 15.42_765.2721n 764.2780 15.42 4050.0086 3824.8445 3625.7826 3945.8332 3743.2249 3619.9667 15.42_770.2819m/z 770.2819 15.42 3539.9135 3497.7690 3305.7712 3454.4891 3489.0808 3318.0519 15.42_810.2405m/z 810.2405 15.42 877.0718 753.0868 827.6174 788.4922 719.4572 706.0786 15.42_984.6830m/z 984.6830 15.42 488.4125 562.0174 645.0377 687.3482 573.1901 590.4032 15.43_172.9669m/z 172.9669 15.43 285.8554 279.5692 295.0573 307.6439 275.5060 267.7351 15.43_217.9832n 198.9653 15.43 310.2761 309.5825 282.4771 314.0690 302.5413 289.6211 15.43_281.2486m/z 281.2486 15.43 3661.2649 3759.3009 3629.6009 4053.8051 3840.3350 3731.2751 15.43_419.3461m/z 419.3461 15.43 475.8801 473.0053 445.5110 468.3130 478.0871 463.0150 15.43_441.2486m/z 441.2486 15.43 1087.5624 1144.9228 1116.9246 1226.9873 1147.6468 1124.0925 15.43_506.3252m/z 506.3252 15.43 49558.1621 43360.6191 40204.0834 44174.6062 53681.1770 39687.4648 C32H45NO4 Gymnodimine MEDIUM 15.43_527.3856m/z 527.3856 15.43 533.2468 555.7244 539.2609 528.0295 548.8571 550.2498 15.43_556.3201m/z 556.3201 15.43 23601.5227 24230.0575 22844.2473 25383.4529 23944.9542 23036.5401 15.43_569.3478m/z 569.3478 15.43 3217.1014 3116.2364 3069.8410 3255.3281 3254.6212 3096.2116 15.43_583.3274m/z 583.3274 15.43 1600.7486 1572.4959 1564.5694 1733.6915 1648.2480 1545.8758 15.43_638.2750m/z 638.2750 15.43 4869.5301 4948.3934 4660.2498 4878.5722 4719.2227 4471.6595 15.43_653.3516n 634.3338 15.43 14767.2272 14745.9069 14231.9226 15295.1719 14475.5785 14332.9962 15.43_674.2693m/z 674.2693 15.43 1813.1281 1791.1878 1760.2547 1943.7599 1846.7735 1783.6365 15.43_712.2405m/z 712.2405 15.43 3133.8401 3064.1024 2930.5248 3176.4573 3023.7982 3020.5481 15.44_596.2855m/z 596.2855 15.44 985.7033 1031.6393 1101.4976 1204.0192 1096.7342 1192.1569 15.44_724.2595m/z 724.2595 15.44 2769.1994 2659.3961 2634.2966 2774.5285 2643.1219 2662.3580 15.44_804.2288m/z 804.2288 15.44 1961.6914 1787.7633 1892.1190 1872.5331 1701.5446 1597.4737 15.44_910.6172m/z 910.6172 15.44 529.5833 630.9745 494.6979 676.9448 555.5794 973.5563 15.45_478.2942m/z 478.2942 15.45 20056.8205 21404.4959 20059.1947 22379.2922 21016.4647 19893.2824 15.45_576.2011m/z 576.2011 15.45 547.8528 614.9372 420.8230 676.2976 624.3531 548.7983 15.45_578.1973m/z 578.1973 15.45 701.4476 756.2495 700.7939 770.6448 762.7647 640.2158 15.45_586.2173m/z 586.2173 15.45 479.7805 534.7483 492.5722 618.5718 538.0569 530.8786 15.45_588.2295m/z 588.2295 15.45 491.1685 597.5962 535.1068 628.7849 557.0972 499.1743 15.45_614.2686m/z 614.2686 15.45 1773.1776 1767.9969 1776.5593 1878.2297 1756.7636 1789.5684 15.45_812.2396m/z 812.2396 15.45 1102.2896 1083.1904 1092.4771 1115.5669 1026.1162 1066.1658 15.45_832.2702m/z 832.2702 15.45 1095.7822 974.4668 1025.1192 974.4951 854.8554 380.0253 15.45_838.2797m/z 838.2797 15.45 742.1173 734.0172 742.9193 784.6588 695.3892 710.2528 15.45_848.2243m/z 848.2243 15.45 194.2612 180.8198 199.0118 162.3961 149.4508 124.4161 15.45_900.2488m/z 900.2488 15.45 196.6991 215.0304 208.8896 156.9175 176.4595 182.4884 15.46_351.2512m/z 351.2512 15.46 252.9305 239.0404 226.6763 242.6696 237.4773 242.2113 15.46_353.2687m/z 353.2687 15.46 1983.2073 2014.9611 1918.6956 1911.0830 1946.6193 2198.5312 15.46_546.2857m/z 546.2857 15.46 1870.9761 1889.7066 1851.4671 1947.8443 1816.5116 1822.3441 15.46_645.0997m/z 645.0997 15.46 393.7463 327.3350 352.6112 346.7545 343.3751 331.6249 15.46_872.2124m/z 872.2124 15.46 242.5314 199.4041 200.8794 216.6876 117.8616 101.6700 15.46_957.6052m/z 957.6052 15.46 136.2864 141.1054 104.9225 150.2935 136.5556 99.2885 15.47_216.9514m/z 216.9514 15.47 131.2524 126.3073 124.3443 132.6309 139.6641 139.1162 15.47_377.2688m/z 377.2688 15.47 6862.6807 6623.1250 6805.4415 6824.0631 6898.0940 7500.8824 15.47_400.7916m/z 400.7916 15.47 141.9970 105.2927 98.5965 95.5503 94.7567 120.7778 15.47_549.3601m/z 549.3601 15.47 2146.2029 2106.8068 2011.5142 2163.6560 2158.9420 2149.0737 15.47_635.0719m/z 635.0719 15.47 475.5043 353.0600 467.8032 339.5134 416.0366 378.6726 15.47_880.2158m/z 880.2158 15.47 251.5311 215.0203 239.2070 133.9934 136.2741 146.2326 15.48_361.1873m/z 361.1873 15.48 223.9077 235.6602 206.4129 242.1703 243.4072 219.3453 15.48_362.8136m/z 362.8136 15.48 292.3557 236.5517 263.4338 235.6649 271.5947 260.0005 15.48_404.2907m/z 404.2907 15.48 62.9564 86.2803 76.6313 66.6307 74.8007 62.5034 15.48_447.3135m/z 447.3135 15.48 2480.8007 2495.2534 2385.1512 2539.4566 2450.5118 2537.9645 15.48_561.2420m/z 561.2420 15.48 1426.5635 1480.2280 1285.6233 1468.0045 1533.7051 1364.0612 15.48_639.0670m/z 639.0670 15.48 211.2500 220.6354 250.2018 193.5844 240.8779 190.6819 15.48_643.0999m/z 643.0999 15.48 355.8588 353.7130 406.8804 371.8215 354.4825 391.1518 15.48_792.5734m/z 792.5734 15.48 170.0253 217.9125 152.3041 244.0634 225.6443 189.4488 15.49_225.2219m/z 225.2219 15.49 128.1982 153.7211 119.9702 157.0692 157.8640 122.4686 15.49_252.2048m/z 252.2048 15.49 75.9825 76.0309 88.1339 96.5282 77.0115 60.8408 15.49_271.2278m/z 271.2278 15.49 4434.5280 4701.9762 4176.1934 4981.7569 4809.4068 4168.4645 15.49_637.0726m/z 637.0726 15.49 470.1205 409.7414 489.3959 423.3253 439.7069 479.6397 15.50_347.2936m/z 347.2936 15.50 624.9443 627.0210 642.4755 658.9392 602.4336 632.6566 15.50_413.2741m/z 413.2741 15.50 695.6028 736.4759 716.7335 744.4999 671.7714 744.4590 15.50_544.3106m/z 544.3106 15.50 749.1422 823.7481 787.2456 893.3581 768.3529 776.7342 15.50_554.3423m/z 554.3423 15.50 7520.8925 8162.3077 7418.6575 8614.0400 7848.0412 7469.3492 15.50_641.2999m/z 641.2999 15.50 383.3494 384.1050 354.1637 388.7892 339.7703 403.3706 15.51_407.2748m/z 407.2748 15.51 422.2177 410.8468 401.5195 453.1916 429.6031 423.1912 15.51_455.3499m/z 455.3499 15.51 1109.9855 1057.9291 1021.8942 1094.5017 1081.8893 1070.9871 15.52_227.2011m/z 227.2011 15.52 30516.6199 30558.2232 30795.6953 32899.3292 32751.0682 30100.5813 C14H28O2 Myristic acid Myristic acid HMDB00806 MEDIUM 15.52_295.1895m/z 295.1895 15.52 1849.4290 1815.4373 1820.7398 1885.3668 1862.1323 1727.6809 15.52_310.1720m/z 310.1720 15.52 14.7961 24.1689 11.2682 34.5275 22.3519 30.4590 15.52_327.1179m/z 327.1179 15.52 1193.6250 1221.3541 1168.2753 1301.0583 1229.4962 1151.9916 15.52_329.1082m/z 329.1082 15.52 599.9557 578.4353 571.0948 626.5229 627.9512 558.3592 C21H18NO4+ Chelerythrine MEDIUM 15.52_331.1044m/z 331.1044 15.52 325.8525 344.3427 331.0556 364.4894 368.2305 333.6804 C13H17F3N4O4 Prodiamine MEDIUM 15.52_335.1816m/z 335.1816 15.52 584.7977 573.2206 546.4824 612.2113 592.7904 536.5702 15.52_337.1753m/z 337.1753 15.52 2444.6452 2369.9847 2342.1031 2535.5516 2482.1380 2304.8558 15.52_341.1798m/z 341.1798 15.52 1020.5204 982.9099 1008.8647 1009.2085 998.8256 960.8967 15.52_358.1521n 357.1586 15.52 1335.4440 1189.5269 1272.7809 1287.9999 1328.8882 1258.1858 15.52_361.0680m/z 361.0680 15.52 1457.5596 1399.0372 1423.1122 1503.9760 1511.4086 1466.6708 15.52_363.1759m/z 363.1759 15.52 720.8050 681.5603 704.3294 736.1364 701.2135 659.4015 15.52_371.0977m/z 371.0977 15.52 1072.1711 1055.0025 1047.8432 1137.1067 1122.6302 1121.3136 15.52_373.0947m/z 373.0947 15.52 960.6473 980.8956 952.6881 1042.5203 1058.1377 1000.8535 15.52_375.0961m/z 375.0961 15.52 858.8324 832.6936 881.7202 880.6639 870.5272 896.7143 15.52_382.0830n 363.0652 15.52 2709.9158 2734.0323 2740.8211 2913.9291 2888.6901 2945.9151 15.52_384.0806n 365.0628 15.52 1931.7167 1879.7838 1904.7734 2020.2523 2036.2903 1937.3938 15.52_386.0790n 367.0612 15.52 900.9404 888.1261 859.1121 915.5500 934.3513 919.3795 15.52_401.1950m/z 401.1950 15.52 316.4763 305.5050 286.1819 333.4785 310.9772 297.0646 C23H30O6 Citreoviridin A MEDIUM 15.52_404.1494m/z 404.1494 15.52 420.4237 372.3358 395.6069 405.7856 391.2530 388.4247 15.52_428.1880n 427.1813 15.52 436.1933 451.6843 385.4975 468.2819 454.8233 441.2402 15.52_441.0896m/z 441.0896 15.52 250.6758 228.4947 225.2626 206.5891 230.3128 386.5614 15.52_444.1659n 425.1481 15.52 478.8906 439.1011 394.0228 439.7370 450.8022 486.4875 15.52_449.1157m/z 449.1157 15.52 425.5371 415.2103 412.5667 458.5664 427.3158 412.1931 15.52_451.1133m/z 451.1133 15.52 273.9771 265.4261 282.5340 281.3593 276.8940 272.8653 15.52_472.1284n 471.1325 15.52 300.7997 253.0316 253.1100 264.8944 312.2198 220.7112 15.52_487.0868m/z 487.0868 15.52 532.4889 462.7124 443.2078 425.1260 513.2286 494.8267 15.52_499.0453m/z 499.0453 15.52 455.0501 449.4704 427.8340 455.8492 448.4352 435.8155 15.52_516.0790n 515.0036 15.52 1281.7324 1212.1087 1292.0129 1265.4829 1241.8302 1346.3517 15.52_520.0431n 518.9882 15.52 1639.2772 1439.0792 1583.9564 1521.6037 1538.9061 1625.0766 15.52_522.0305n 503.0127 15.52 1612.2172 1416.0437 1498.5778 1431.8907 1447.3288 1515.5350 15.52_524.0110n 504.9931 15.52 1424.5946 1230.3540 1393.7326 1243.2335 1301.9483 1364.1375 15.52_525.9879n 506.9701 15.52 1723.9861 1427.8692 1595.3471 1470.2722 1513.9717 1579.0064 15.52_527.9784n 508.9606 15.52 1733.2543 1513.1054 1610.6025 1495.6140 1524.5183 1598.1661 15.52_529.9801n 510.9623 15.52 1398.6569 1213.8978 1384.5845 1193.8736 1265.8833 1319.7272 15.52_532.0475n 513.0297 15.52 1042.8511 952.0550 1109.3806 1036.6879 989.8085 1076.7247 15.52_536.0116n 516.9938 15.52 1285.0341 1122.6708 1238.8743 1177.1087 1201.9563 1230.8322 15.52_600.3133m/z 600.3133 15.52 259.8305 291.1905 313.0497 373.3841 405.9564 291.8337 15.52_609.3592m/z 609.3592 15.52 766.7021 757.1519 731.0829 825.1944 767.4342 742.1621 15.52_631.3105m/z 631.3105 15.52 712.7183 740.3279 732.1239 830.5333 728.1184 685.7862 15.52_645.3146m/z 645.3146 15.52 141.8494 107.6999 168.1261 152.6760 149.7313 191.9121 15.52_667.2625m/z 667.2625 15.52 2975.4465 2943.4866 2913.3007 3203.7228 3068.9949 2749.7738 15.52_687.1984m/z 687.1984 15.52 1223.3980 1172.3334 1169.6126 1273.5777 1195.8862 1143.4944 15.52_689.1753m/z 689.1753 15.52 1459.4562 1392.1421 1390.9276 1502.2011 1479.8230 1398.1920 15.52_691.1700m/z 691.1700 15.52 1586.9236 1428.4860 1452.0002 1460.3946 1479.8611 1427.2209 15.52_693.1729m/z 693.1729 15.52 2527.2135 2227.3634 2192.6607 2446.9868 2455.1517 2139.9961 15.52_701.1939m/z 701.1939 15.52 1677.8004 1559.4887 1531.1620 1708.5861 1763.9035 1583.6948 15.52_704.2502n 703.2071 15.52 3462.7168 3339.2401 3182.0047 3494.1772 3478.1430 3174.8095 15.52_708.2458m/z 708.2458 15.52 897.8342 892.4102 882.3772 927.3703 864.3531 894.2743 15.52_716.2595n 697.2417 15.52 3317.4798 3205.5637 3226.7646 3413.6049 3323.6032 3153.1082 15.52_718.2199n 699.2020 15.52 2654.9774 2512.2737 2560.8421 2674.7028 2714.3205 2526.1240 15.52_727.2308m/z 727.2308 15.52 591.8094 596.0650 513.6714 621.3617 614.0761 514.5930 15.52_729.2283m/z 729.2283 15.52 2546.5859 2371.1533 2307.5770 2544.5868 2544.2642 2362.8816 15.52_748.5461m/z 748.5461 15.52 568.4310 666.9525 506.6428 742.2519 622.6350 492.2977 15.52_775.2387m/z 775.2387 15.52 1640.7611 1527.3003 1412.1223 1463.8300 1423.2675 1316.9202 15.52_779.2399m/z 779.2399 15.52 907.8360 781.9801 781.7674 671.2170 458.2006 526.5641 15.52_845.2110m/z 845.2110 15.52 69.5417 119.7934 48.0261 104.6324 64.2756 70.3838 15.52_877.5047m/z 877.5047 15.52 218.6708 220.4692 349.6654 531.1326 534.4191 575.4916 15.52_879.4108m/z 879.4108 15.52 447.7211 463.4007 413.2040 493.0504 479.3376 435.6361 15.52_881.3973m/z 881.3973 15.52 570.6742 588.9390 530.9614 728.1430 671.4066 657.6815 15.52_902.4159n 883.3980 15.52 1957.9685 2054.6097 1807.9765 2269.7810 2416.4886 2210.6648 15.53_240.9561m/z 240.9561 15.53 110.6942 93.0631 103.7286 118.5764 104.2989 112.1242 15.53_293.1762m/z 293.1762 15.53 255.6573 231.1877 233.2414 265.6824 242.3458 249.6357 15.53_495.1029m/z 495.1029 15.53 154.9815 121.4157 136.8546 98.1981 141.6785 133.6957 15.53_768.2231m/z 768.2231 15.53 617.7133 587.0549 561.2121 673.8955 551.8701 611.8987 15.54_239.2014m/z 239.2014 15.54 103.8171 91.9143 89.3259 111.9785 103.5900 84.7578 15.54_409.2891m/z 409.2891 15.54 907.1054 906.1494 912.7235 935.5615 861.3526 941.3592 15.54_427.2849m/z 427.2849 15.54 273.7340 272.3616 285.1387 309.8810 302.6255 292.7913 15.54_464.3203m/z 464.3203 15.54 19740.6270 19999.1031 24975.9809 25476.8590 23463.5583 23683.4739 15.54_467.3686m/z 467.3686 15.54 2993.8962 3112.2200 3605.0508 3606.8703 3165.3055 3534.5771 15.54_514.3072m/z 514.3072 15.54 1533.4584 1552.0818 1451.6689 1694.8771 1502.4897 1374.0102 15.54_524.3347m/z 524.3347 15.54 20267.3124 22289.1780 19593.5014 23550.5974 21391.1143 18445.6665 15.54_596.2838m/z 596.2838 15.54 1085.3485 1126.5019 1090.3848 1149.5442 1030.9253 1031.0372 15.54_660.3018m/z 660.3018 15.54 567.1843 580.3419 509.8263 600.5320 583.4783 541.1624 15.55_457.3486m/z 457.3486 15.55 2110.9729 2065.3214 2153.8833 2159.0929 2192.9284 2189.2131 15.55_538.4009m/z 538.4009 15.55 3962.6082 3983.1881 3879.0498 4252.2537 3989.4673 3960.1931 15.55_579.3647m/z 579.3647 15.55 482.4229 493.4085 420.5648 542.2994 450.1799 410.4633 15.55_606.3172m/z 606.3172 15.55 1099.4529 1147.8307 1088.4430 1214.3643 1141.3268 1103.6282 15.55_609.0612m/z 609.0612 15.55 111.8223 82.5946 87.9777 104.8035 128.1994 125.2231 15.55_616.3568m/z 616.3568 15.55 5591.7236 6205.4813 5532.0081 6627.6478 6171.0721 5925.0192 15.56_238.9717m/z 238.9717 15.56 109.6189 109.6161 142.2807 125.3232 106.9897 148.9302 15.56_367.2790m/z 367.2790 15.56 957.4698 1010.8865 1017.9386 1052.5104 962.6869 1026.8831 15.56_433.3118m/z 433.3118 15.56 775.2417 764.5802 766.2152 752.8210 829.8237 736.2215 15.56_436.2852m/z 436.2852 15.56 19839.1578 20816.0307 19792.8128 21625.7697 20755.8287 19845.1325 15.56_441.3494m/z 441.3494 15.56 3563.0613 3467.8169 3587.9728 3754.4312 3686.2621 4048.3963 15.56_471.3282m/z 471.3282 15.56 445.5149 458.7201 455.7602 467.4602 436.4971 431.9160 15.56_643.0609m/z 643.0609 15.56 591.5945 559.3985 544.9296 523.5415 573.9324 550.1982 15.56_645.0739m/z 645.0739 15.56 776.8509 699.3006 835.6605 734.5140 772.6438 832.4917 15.56_647.0703m/z 647.0703 15.56 468.2546 383.5888 431.9072 383.3919 409.4283 458.5134 15.56_653.3795m/z 653.3795 15.56 2264.8675 2650.3062 2359.2035 3255.1349 2796.6676 2711.1154 15.57_215.1645m/z 215.1645 15.57 202.2933 212.6536 205.4869 221.1027 203.2894 220.6251 15.57_403.2854m/z 403.2854 15.57 615.4136 608.0564 611.8040 677.4282 656.2989 642.8370 15.57_455.2535m/z 455.2535 15.57 763.3051 766.4904 824.8078 771.6134 784.6722 774.8672 15.57_485.3732m/z 485.3732 15.57 2387.1557 2342.6386 2416.6640 2469.6486 2337.5030 2434.7188 15.58_345.2790m/z 345.2790 15.58 1222.4411 1168.5777 1295.4553 1232.1631 1212.1323 1194.3010 15.58_494.3318m/z 494.3318 15.58 11110.2967 11402.0018 10897.5260 12104.8779 11407.9814 10728.4117 15.58_544.3088m/z 544.3088 15.58 1881.0342 1888.4819 1806.3842 2018.7935 1963.1501 1724.6464 15.58_554.3464m/z 554.3464 15.58 9653.0728 10110.4062 8927.1811 10487.6472 10039.9504 8157.7175 15.58_622.3293m/z 622.3293 15.58 1254.0319 1293.4369 1142.1740 1334.9486 1193.5567 1159.7964 15.59_257.2268m/z 257.2268 15.59 1358.5331 1401.7018 1341.6774 1527.5451 1432.7532 1332.6786 15.59_301.2166m/z 301.2166 15.59 25238.1805 25839.7475 24901.4468 27425.2579 26573.7652 24792.0012 C20H30O2 Isopimaric acid Isopimaric acid HMDB36811 MEDIUM 15.59_313.2371m/z 313.2371 15.59 1069.9026 997.7373 1010.3556 1027.1962 965.2738 829.1102 15.59_341.2655m/z 341.2655 15.59 606.7866 593.8316 577.5257 569.3803 595.6313 588.0425 15.59_369.2040m/z 369.2040 15.59 1330.7017 1336.7951 1318.5322 1371.9334 1364.7238 1417.6410 15.59_401.1334m/z 401.1334 15.59 490.3126 505.7125 484.0771 518.0611 494.0211 462.9082 15.59_437.0805m/z 437.0805 15.59 684.5121 746.7245 693.2975 764.3215 767.7388 730.8910 15.59_445.1136m/z 445.1136 15.59 431.2632 452.8112 457.8635 507.6772 453.8951 465.4067 15.59_447.1110m/z 447.1110 15.59 410.2353 437.8444 379.2432 445.4018 431.1027 594.7193 15.59_458.0973n 439.0794 15.59 809.6332 861.4004 856.6766 934.0541 865.3356 800.1752 15.59_591.0284m/z 591.0284 15.59 368.7505 424.1766 390.7109 390.0913 358.1453 445.7782 15.59_593.0152m/z 593.0152 15.59 293.3231 253.6812 287.1000 291.4004 278.1583 332.3943 15.59_597.0401m/z 597.0401 15.59 155.9255 135.2536 197.7441 133.5699 187.9950 245.7025 15.59_810.5464m/z 810.5464 15.59 79.1751 138.5192 96.1337 155.2272 189.8616 207.1493 15.60_203.1797m/z 203.1797 15.60 89.6984 88.9441 83.2776 103.7230 95.8148 79.6558 C15H26O Nerolidol 7524 MEDIUM 15.60_228.9616m/z 228.9616 15.60 113.6192 90.3361 96.4496 61.4666 88.1588 108.0312 15.60_359.1867m/z 359.1867 15.60 289.3610 275.9834 276.4245 288.1257 297.1253 254.7096 C21H28O5 Cinerin II 3707 MEDIUM 15.60_377.1324m/z 377.1324 15.60 1831.0137 1842.2485 1763.3083 1955.2179 2211.1172 3804.7843 15.60_382.1251m/z 382.1251 15.60 66.6709 52.8821 48.4844 59.7467 65.9905 57.5428 15.60_454.1645m/z 454.1645 15.60 899.9005 902.6868 830.1150 920.8064 942.8733 870.5827 15.60_601.4032m/z 601.4032 15.60 496.2352 597.5961 521.3834 593.8842 565.3300 551.8006 15.60_605.3288m/z 605.3288 15.60 169.8359 199.4435 217.4287 245.1576 217.3477 212.4810 15.60_619.4004m/z 619.4004 15.60 465.6040 515.5508 439.2805 523.7934 556.7404 425.6287 15.60_667.3467m/z 667.3467 15.60 449.9211 451.0147 414.1255 478.7221 481.6397 425.7370 15.60_677.3170m/z 677.3170 15.60 461.4678 433.6309 417.1477 513.2700 507.9503 452.0634 15.60_679.2951m/z 679.2951 15.60 858.7249 848.9767 780.5880 907.1270 883.1868 801.0270 15.60_755.3118m/z 755.3118 15.60 327.0147 393.0277 247.5821 397.5254 360.8303 345.6785 15.60_757.2628m/z 757.2628 15.60 601.9003 600.8806 534.2181 639.9651 608.5099 550.8743 15.60_813.2454m/z 813.2454 15.60 776.9172 836.0267 700.8643 924.6911 889.0093 807.7719 15.60_819.2560m/z 819.2560 15.60 1480.3704 1523.6379 1439.4400 1453.7006 1457.7972 1363.6858 15.60_823.2436m/z 823.2436 15.60 1095.0582 1011.6289 1050.2233 1119.6426 1109.8998 915.0521 15.60_825.2465m/z 825.2465 15.60 1114.9545 1035.3319 995.2751 1162.9182 1080.2196 1022.0570 15.60_834.2678n 815.2500 15.60 1810.3281 1843.1337 1719.9228 1916.7800 1856.1748 1845.9811 15.60_835.2635m/z 835.2635 15.60 877.6688 861.2992 777.5597 910.7637 867.5565 654.7215 15.60_842.2659m/z 842.2659 15.60 96.2140 136.3751 111.6896 151.1793 166.9954 135.4317 15.60_844.2710m/z 844.2710 15.60 126.1414 128.9644 95.0576 138.6465 103.3663 100.7515 15.60_846.2767n 827.2589 15.60 1485.0127 1404.3594 1277.5560 1484.3593 1540.8450 1377.5726 15.60_847.2625m/z 847.2625 15.60 187.6570 171.8221 224.9854 251.9522 182.4480 173.0759 15.60_875.2729m/z 875.2729 15.60 893.6356 844.2959 792.4757 860.0585 908.5698 778.0087 15.60_879.2837m/z 879.2837 15.60 617.0954 595.0056 557.0141 663.0236 592.8241 561.4027 15.60_889.2882m/z 889.2882 15.60 130.3254 211.9276 153.6393 227.0653 203.1021 143.6334 15.60_891.2958m/z 891.2958 15.60 194.9551 227.8865 200.1333 222.8927 211.0548 230.1993 15.60_979.4356m/z 979.4356 15.60 125.3617 115.6323 117.8579 165.2177 174.9567 146.5557 15.61_242.2046m/z 242.2046 15.61 63.9342 60.5037 81.2583 70.7769 85.1439 82.5354 15.61_277.2166m/z 277.2166 15.61 93866.6345 94331.9683 93310.4737 99206.2736 99225.6970 90880.1184 C18H30O2 Alpha-Linolenic Acid Alpha-linolenic acid 27432 HIGH 15.61_277.3552m/z 277.3552 15.61 1494.6462 1410.1500 1269.2703 1459.8453 1408.2677 1003.2086 15.61_325.2753m/z 325.2753 15.61 62.3628 65.9935 64.7199 77.9018 59.6745 51.2116 15.61_335.1737m/z 335.1737 15.61 319.2313 332.1335 333.2944 344.0561 358.6522 327.8921 15.61_345.2041m/z 345.2041 15.61 3369.7719 3275.3453 3277.8702 3337.1328 3465.7168 3060.1510 15.61_385.1959m/z 385.1959 15.61 632.5547 630.0609 623.3745 661.3572 653.7520 616.0546 15.61_387.1902m/z 387.1902 15.61 1854.3096 1831.3548 1976.4957 1989.5051 1889.1836 1883.6113 15.61_391.1953m/z 391.1953 15.61 495.9421 481.2239 451.3045 544.7207 556.5443 413.9950 C23H27FN4O2 Risperidone 8871 MEDIUM 15.61_399.2070m/z 399.2070 15.61 384.6965 367.2757 373.5909 402.9358 386.5080 381.4766 15.61_411.0833m/z 411.0833 15.61 1973.8964 1883.2858 1880.0974 2014.0141 2005.1161 2010.6148 15.61_413.0802m/z 413.0802 15.61 2453.7492 2378.8743 2413.7318 2539.7517 2628.6367 2482.8836 15.61_413.1921m/z 413.1921 15.61 1081.5297 1030.9338 998.2895 1027.9463 1194.9952 972.2509 15.61_417.0766m/z 417.0766 15.61 688.5044 652.6728 686.2967 726.4929 708.9865 703.2067 15.61_421.1125m/z 421.1125 15.61 1757.4751 1673.3574 1669.6256 1806.4369 1816.2883 1925.0076 15.61_423.1095m/z 423.1095 15.61 1680.4170 1676.8258 1676.2374 1775.1812 1768.6275 1641.7570 15.61_426.1921n 425.1108 15.61 3491.8360 3447.3636 3419.2673 3613.6276 3557.6778 3577.7758 15.61_434.0961n 415.0782 15.61 2946.4582 2897.0112 2927.1517 3054.9104 3081.3129 3042.5328 15.61_477.1854m/z 477.1854 15.61 306.2953 294.2345 282.1856 299.2855 299.0061 314.7068 15.61_489.1040m/z 489.1040 15.61 466.1164 451.6130 422.6277 450.8911 440.8816 442.2851 15.61_491.1047m/z 491.1047 15.61 528.7422 487.3047 467.8155 478.4764 462.7222 458.3321 15.61_499.1423m/z 499.1423 15.61 1419.2538 1358.7566 1395.4857 1410.3829 1465.3317 1399.5431 15.61_501.1408m/z 501.1408 15.61 1023.8103 962.0526 938.7915 964.5204 997.5801 991.6858 15.61_554.1110n 553.0305 15.61 812.2989 767.3863 810.7566 798.5312 787.8684 823.1604 15.61_555.0103m/z 555.0103 15.61 1062.1005 1013.3543 1026.5306 990.9812 1008.3980 1047.6813 15.61_556.9893m/z 556.9893 15.61 1436.3609 1370.9670 1452.7421 1316.9428 1404.8397 1504.6691 15.61_558.9804m/z 558.9804 15.61 1458.1899 1287.5407 1366.3088 1315.2641 1341.2566 1432.7111 15.61_560.9872m/z 560.9872 15.61 1721.3221 1511.1927 1665.1304 1437.2060 1607.5323 1691.2070 15.61_563.0550m/z 563.0550 15.61 932.5034 813.3891 879.6325 901.6774 902.5626 934.7745 15.61_565.0230m/z 565.0230 15.61 1080.1269 1007.2961 1091.1038 1005.4156 1049.9257 1106.4721 15.61_567.0134m/z 567.0134 15.61 1195.7865 1057.9096 1118.1935 1090.3535 1113.4457 1145.0249 15.61_570.0585n 569.0071 15.61 1733.2179 1625.6996 1669.1929 1597.7208 1655.5740 1690.8191 15.61_577.4144m/z 577.4144 15.61 720.5180 765.3929 640.5636 772.2621 752.3721 639.6442 15.61_623.4134m/z 623.4134 15.61 783.0594 724.3567 640.3558 767.0683 869.2433 613.4978 15.61_655.4134m/z 655.4134 15.61 1680.3209 1424.5500 1272.7734 1515.1475 1955.9448 1316.5589 15.61_658.4038n 657.3319 15.61 2832.0503 2895.8002 2648.8914 3015.0235 2901.6159 2672.0413 15.61_664.4215n 663.3531 15.61 2608.4007 2592.5138 2163.7266 2683.2311 2696.1363 2384.9529 15.61_700.3530m/z 700.3530 15.61 575.4482 588.6093 567.4950 706.5767 686.5637 605.5840 15.61_707.3779m/z 707.3779 15.61 597.3211 617.7802 496.3506 680.8057 648.4397 621.4450 15.61_721.3062m/z 721.3062 15.61 425.7090 391.0306 371.0100 418.9187 404.2296 368.2021 15.61_723.2998m/z 723.2998 15.61 1019.8180 1042.4297 975.7970 1116.2563 1054.5702 958.0853 15.61_731.3445m/z 731.3445 15.61 977.4112 931.0153 848.1180 932.7956 978.1743 764.6298 15.61_735.3078m/z 735.3078 15.61 358.8627 362.6096 385.4445 349.5491 385.1576 320.8723 15.61_781.2942m/z 781.2942 15.61 335.2667 303.0196 272.4660 362.6344 357.3671 335.7283 15.61_785.2469m/z 785.2469 15.61 956.4866 953.5379 801.9066 979.6822 948.6704 882.8927 15.61_787.2281m/z 787.2281 15.61 871.5854 835.6485 829.1182 842.2020 846.3156 805.8884 15.61_789.2082m/z 789.2082 15.61 1077.9916 1081.6464 1027.5247 1143.1442 1119.6586 1031.2674 15.61_798.3094n 797.2364 15.61 1356.6409 1270.5113 1201.8157 1408.5371 1366.1364 1282.2882 15.61_802.2669n 801.2318 15.61 2246.1312 1935.9481 1903.7072 2093.2025 2151.3086 1944.5910 15.61_810.2257n 791.2079 15.61 2068.4027 2109.1964 1914.5296 2172.1102 2064.4048 1805.3774 15.61_812.2332n 793.2153 15.61 2030.1247 1973.7070 1833.5279 2121.1121 2005.7445 1757.9693 15.61_818.2487n 817.2595 15.61 2842.8759 2625.4821 2507.3708 2784.7084 2704.0485 2516.1955 15.61_822.2567n 803.2388 15.61 3358.0777 3372.2517 3193.3330 3661.8471 3568.6828 3309.1752 15.61_867.2887m/z 867.2887 15.61 650.9664 613.4503 665.2797 735.4601 692.3433 701.8499 15.61_869.2867m/z 869.2867 15.61 935.6584 925.6212 897.9103 881.4911 858.0904 791.8914 15.61_873.2721m/z 873.2721 15.61 340.0914 307.6902 331.2691 416.8271 360.5840 364.7425 15.61_883.2960m/z 883.2960 15.61 392.7768 325.3796 334.5594 371.6045 369.6982 229.1272 15.61_887.2931m/z 887.2931 15.61 176.3811 220.0198 199.0953 265.4592 170.4040 168.1365 15.62_347.2910m/z 347.2910 15.62 1360.4203 1269.1324 1240.0244 1367.6386 1326.4672 1267.6850 15.62_391.2842m/z 391.2842 15.62 13336.1862 13347.8295 13466.3677 13528.5422 13107.8887 13661.6024 C24H40O4 Deoxycholic acid Deoxycholic acid HMDB00626 HIGH 15.62_413.2660m/z 413.2660 15.62 1390.6611 1317.9336 1355.5000 1349.7771 1390.9211 1337.7120 15.62_466.3355m/z 466.3355 15.62 13853.3403 13851.3483 14284.9640 15695.8304 14934.9480 13753.8089 15.62_589.3822m/z 589.3822 15.62 231.6491 244.7455 163.3937 236.4350 243.0500 243.5046 15.62_598.2765m/z 598.2765 15.62 619.1194 635.7862 559.3382 814.1790 725.4077 724.2331 15.62_758.5662m/z 758.5662 15.62 380.4977 445.1526 373.0654 484.5504 430.0408 280.1448 15.64_373.2719m/z 373.2719 15.64 223.1461 205.7831 214.0518 224.6809 218.6821 213.2103 15.64_532.3430m/z 532.3430 15.64 8087.4495 8039.2364 8119.1474 8601.1286 8282.6989 8268.7078 15.64_584.3192m/z 584.3192 15.64 226.0032 233.3827 194.4368 229.6019 240.6171 209.6716 15.64_592.3582m/z 592.3582 15.64 8594.2426 9098.5441 8434.6916 9902.0240 8937.3541 8572.1832 15.64_612.2755m/z 612.2755 15.64 784.8018 757.1781 748.6454 802.1499 800.2991 785.5663 15.65_265.2165m/z 265.2165 15.65 545.4065 585.0926 548.1102 624.2576 595.4782 582.9976 15.65_299.2584m/z 299.2584 15.65 3776.0046 3557.0076 3833.8291 3689.4823 3714.9608 3912.4846 15.65_308.2328n 307.2615 15.65 55.3894 95.6304 71.6485 84.3007 75.6977 66.8978 15.65_338.2675m/z 338.2675 15.65 129.6878 147.4151 154.5872 170.8843 156.9996 122.9843 C20H37NO3 Oleoyl glycine N-oleoyl glycine HMDB13631 HIGH 15.65_343.1846m/z 343.1846 15.65 70.5875 54.8649 59.6493 57.4990 77.1794 62.2278 15.65_395.2438m/z 395.2438 15.65 703.6700 861.2252 924.2703 892.5146 702.6384 953.7480 15.65_439.3309m/z 439.3309 15.65 2550.9437 2623.1549 2604.8306 2686.4498 2545.5491 2666.3691 15.65_445.2403m/z 445.2403 15.65 726.1350 776.2608 773.9398 834.7054 789.1548 834.1472 15.65_459.3053m/z 459.3053 15.65 1273.1123 1222.5099 1267.4511 1263.2401 1287.7908 1296.6831 15.65_607.4607m/z 607.4607 15.65 535.7239 584.7096 555.0311 618.9955 582.8296 567.9577 15.65_609.4639m/z 609.4639 15.65 1071.9260 1145.3818 1164.0329 1248.6348 1058.0848 1176.9656 15.65_631.0736m/z 631.0736 15.65 659.8707 689.5911 622.7354 697.9669 711.7491 652.6909 15.65_631.3538m/z 631.3538 15.65 81.0542 139.6544 86.8569 177.1382 134.3424 118.0858 15.65_807.2598m/z 807.2598 15.65 1050.0664 1077.9745 946.2982 1174.8674 1076.1178 1062.4558 15.65_849.2755m/z 849.2755 15.65 792.4048 748.7527 667.5682 924.2658 773.1531 748.4470 15.65_851.2778m/z 851.2778 15.65 1672.0815 1698.3123 1494.4715 1938.2194 1635.3818 1640.8160 15.65_853.2776m/z 853.2776 15.65 1878.1042 1951.1884 1864.4914 2331.5668 2129.4211 2072.3857 15.65_855.2781m/z 855.2781 15.65 3505.1030 3082.8079 3069.6256 3675.2205 3481.4508 3474.6882 15.65_861.2888m/z 861.2888 15.65 546.3811 366.9912 338.6389 418.5369 343.4086 314.6816 15.65_863.2952m/z 863.2952 15.65 791.3364 704.2907 641.0685 853.8380 738.0554 711.8507 15.65_865.2784m/z 865.2784 15.65 586.0116 615.4098 544.8191 615.1133 614.0168 605.3440 15.66_293.1789m/z 293.1789 15.66 204.4396 167.8862 165.9614 167.0002 178.9893 192.2011 15.66_315.2506m/z 315.2506 15.66 215.8894 213.4011 210.6583 235.4053 211.1801 221.2639 15.66_375.2738m/z 375.2738 15.66 433.8327 479.9055 481.7774 533.7100 480.0246 452.4182 15.66_411.3027m/z 411.3027 15.66 585.7320 610.6235 588.1675 564.8511 582.9492 546.6158 15.66_472.1897m/z 472.1897 15.66 371.0621 393.7352 376.2051 408.4592 395.3576 391.0980 15.66_474.1913m/z 474.1913 15.66 1751.0205 1857.8853 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2473.5038 15.80_485.3616m/z 485.3616 15.80 1435.9878 1388.3764 1451.6537 1397.8874 1411.1782 1424.0308 15.80_571.0543m/z 571.0543 15.80 1328.7492 1216.7626 1346.3858 1224.8903 1292.1238 1337.8684 15.80_573.0515m/z 573.0515 15.80 2499.8944 2324.9932 2511.7804 2364.4394 2489.4651 2730.6825 15.80_575.0502m/z 575.0502 15.80 2833.8051 2612.5982 2830.3968 2653.0365 2737.3053 3036.1795 15.80_577.0487m/z 577.0487 15.80 1988.4200 1812.1501 1978.2061 1848.7801 1907.0465 2195.0249 15.80_579.0471m/z 579.0471 15.80 898.6599 866.0041 936.2165 854.3579 939.5556 1034.2053 15.80_617.0603m/z 617.0603 15.80 3494.0256 3152.6410 3552.7954 3268.2099 3386.9167 3740.4901 15.80_619.0575m/z 619.0575 15.80 7177.2389 6689.1567 7385.5550 6723.3752 7021.9734 7873.5412 15.80_621.0559m/z 621.0559 15.80 9112.2313 8497.7579 9403.0152 8515.6974 8955.7079 9747.1598 15.80_623.0532m/z 623.0532 15.80 6379.2096 5853.6699 6524.7440 5838.2634 6121.0091 6801.0039 15.80_625.0520m/z 625.0520 15.80 4189.9907 3884.8979 4336.2647 3889.9806 4084.8829 4537.5821 15.80_633.0806m/z 633.0806 15.80 1552.3541 1388.5309 1565.9642 1358.3820 1411.5526 1602.6945 15.81_277.1461m/z 277.1461 15.81 1571.0173 1519.3939 1540.6209 1520.5445 1559.0104 1611.9676 C16H22O4 Diisobutyl phthalate 894546 MEDIUM 15.81_360.2188m/z 360.2188 15.81 53.4892 50.7239 59.5255 52.8563 59.2031 41.7202 15.81_409.2947m/z 409.2947 15.81 249.0943 278.7253 265.1038 288.4366 261.4660 306.8278 15.81_469.3551m/z 469.3551 15.81 3088.0195 3108.7225 3136.4071 3067.3382 3142.7531 3189.7937 15.81_489.3575m/z 489.3575 15.81 6364.8865 6214.9138 6355.8440 6473.4650 6340.3996 6369.4246 15.81_491.3688m/z 491.3688 15.81 12865.9187 12793.3696 13016.6604 14327.8249 13466.6511 13492.2047 15.81_635.0769m/z 635.0769 15.81 1056.0279 907.7094 1079.2168 925.6367 929.2003 1157.7661 15.81_643.1069m/z 643.1069 15.81 778.6205 698.4916 879.9202 608.1916 787.6987 858.7048 15.81_701.1919m/z 701.1919 15.81 137.1481 122.1445 150.4987 125.0218 111.7315 115.9800 15.81_801.2847m/z 801.2847 15.81 511.0730 343.0029 324.2065 317.1420 251.3069 298.0266 15.82_160.9823m/z 160.9823 15.82 509.6925 457.4266 531.0574 448.3819 468.9130 495.3828 15.82_228.9618m/z 228.9618 15.82 45.9267 40.4720 42.1908 39.5215 35.2105 22.0458 15.82_423.3071m/z 423.3071 15.82 461.1188 480.5590 513.2349 516.7663 476.7272 488.9290 15.82_609.4664m/z 609.4664 15.82 1531.0526 1574.2241 1492.2061 1655.0089 1521.1952 1525.6947 15.82_639.0800m/z 639.0800 15.82 1228.7364 1036.9764 1275.7979 1058.2799 1189.3158 1225.8827 15.82_665.2166m/z 665.2166 15.82 200.8025 228.0715 198.5826 223.8131 223.3678 230.9415 15.82_675.1961m/z 675.1961 15.82 103.6819 90.5484 115.4459 117.6867 95.6902 131.9391 15.82_733.1839m/z 733.1839 15.82 151.0200 110.3079 144.6552 139.3616 150.9041 120.9548 15.83_171.1384m/z 171.1384 15.83 89.1661 86.1543 98.6288 84.3622 86.5387 100.4618 15.83_411.2953m/z 411.2953 15.83 499.4854 468.6341 432.6532 472.5674 501.6180 426.3444 15.83_437.3269m/z 437.3269 15.83 3854.4522 3802.8335 3732.4540 3885.4530 3780.0487 3875.5960 15.83_459.3042m/z 459.3042 15.83 499.4570 493.5557 521.8703 535.3704 491.9969 525.8317 15.83_799.6674m/z 799.6674 15.83 191.7815 6830.1437 8988.9464 6657.8044 8625.9832 8684.6235 15.84_293.1788m/z 293.1788 15.84 127.2885 101.9618 107.3806 119.3731 123.3952 133.4234 15.84_373.3094m/z 373.3094 15.84 247.7395 217.6364 208.6775 238.1639 251.8528 238.3609 15.84_379.2776m/z 379.2776 15.84 599.6751 564.0018 571.1172 564.0989 573.8218 569.1810 15.84_425.3282m/z 425.3282 15.84 1135.0408 1196.0664 1164.0762 1250.5054 1165.9089 1177.7965 15.84_499.2955m/z 499.2955 15.84 723.4562 726.9995 741.9288 782.0620 738.9664 779.1881 15.84_511.3921m/z 511.3921 15.84 6641.3563 6523.2308 6658.3558 6839.6702 6452.7589 6571.8530 15.84_637.0751m/z 637.0751 15.84 974.4984 828.9116 973.6724 851.6396 857.8733 983.0461 15.84_645.0997m/z 645.0997 15.84 663.9099 467.0583 662.2743 403.3689 510.1786 662.1448 15.84_687.2406m/z 687.2406 15.84 140.8183 147.4031 194.0733 177.8233 148.0479 196.0260 15.84_755.2329m/z 755.2329 15.84 311.5261 299.8559 282.4989 276.3515 315.0041 304.5764 15.85_315.2471m/z 315.2471 15.85 311.0686 316.2138 312.4185 334.3979 318.1760 322.0756 15.85_431.3144m/z 431.3144 15.85 6839.0364 6900.7841 6958.6123 7145.8876 6683.1042 6917.4003 15.85_475.3392m/z 475.3392 15.85 403.4591 439.4490 389.6503 453.1374 446.7750 490.4913 15.86_241.2170m/z 241.2170 15.86 7095.9138 7124.2039 7256.9153 7333.0248 7551.3748 7377.1719 15.86_310.2027m/z 310.2027 15.86 58.9550 48.2396 39.9227 36.3127 53.1908 49.8254 15.86_576.3282m/z 576.3282 15.86 313.9128 355.5268 340.8731 324.0409 326.5906 342.3716 15.86_688.2997m/z 688.2997 15.86 512.5297 479.6198 531.6642 522.7378 481.8467 516.9686 15.86_709.2399m/z 709.2399 15.86 548.0055 629.3544 592.9204 571.4914 475.7866 637.2741 15.86_713.3198n 712.2579 15.86 1501.1121 1470.2642 1509.3201 1456.4032 1391.7802 1516.7568 15.86_734.2324m/z 734.2324 15.86 442.1082 443.4337 487.7133 471.9237 378.5904 494.1688 15.86_736.2383m/z 736.2383 15.86 439.6782 401.5573 432.4566 398.2046 395.1970 439.1377 15.86_738.2443m/z 738.2443 15.86 618.5703 712.4280 713.7734 732.7403 557.5208 701.5917 15.86_766.3058m/z 766.3058 15.86 507.7425 613.3960 587.5155 608.1166 485.7132 619.7927 15.87_351.1933m/z 351.1933 15.87 404.3041 403.4021 395.7365 421.9485 423.7900 392.4106 15.87_381.3030m/z 381.3030 15.87 174.0964 166.4575 192.4854 165.7876 195.5292 151.9509 15.87_509.3452m/z 509.3452 15.87 12780.9482 13114.8758 12367.7791 13613.9419 13003.2729 12020.0088 15.87_558.3326m/z 558.3326 15.87 14702.9154 15115.2316 14415.4231 15678.5103 14717.6801 13912.3425 15.87_568.3609m/z 568.3609 15.87 168138.2406 174683.1446 163635.4380 179951.6065 169629.6074 154153.3499 15.87_572.3288m/z 572.3288 15.87 922.3397 916.5877 978.0915 981.1959 947.7707 944.1707 15.87_585.3531m/z 585.3531 15.87 626.9755 689.3115 632.0427 692.2215 646.6103 594.0382 15.87_626.3186m/z 626.3186 15.87 1246.1109 1383.9771 1306.5862 1337.1987 1259.9385 1283.7212 15.87_640.2910m/z 640.2910 15.87 1996.7086 1977.4211 2002.8239 1920.3474 1885.5336 1814.4708 15.87_652.3138m/z 652.3138 15.87 382.6353 365.2701 330.7636 361.2907 320.5627 350.0810 15.87_655.3663n 636.3485 15.87 8692.6929 8635.7919 8429.2819 8686.7492 8191.5615 7999.6057 15.87_658.3033m/z 658.3033 15.87 397.1550 515.5032 494.6514 573.9703 368.9047 574.2274 15.87_666.2620m/z 666.2620 15.87 414.9422 393.9983 422.0948 388.2945 369.6852 414.6209 15.87_668.2711m/z 668.2711 15.87 1015.3827 932.2859 959.9142 1023.4785 958.4266 1012.1626 15.87_676.2820m/z 676.2820 15.87 741.5989 740.6329 743.3916 761.4972 696.1968 756.1956 15.87_678.2811m/z 678.2811 15.87 880.2573 822.8601 883.8089 851.6353 790.2425 897.2493 15.87_714.2556m/z 714.2556 15.87 883.5176 893.6759 958.0538 910.3432 827.1134 896.8992 15.87_717.3358n 716.2592 15.87 2020.6534 2151.6180 2089.0540 2172.5805 1869.0682 2174.8678 15.87_722.2854m/z 722.2854 15.87 1334.5673 1270.6830 1294.7711 1191.1838 1235.0678 1223.0045 15.87_745.3000n 726.2821 15.87 1787.9511 1684.1297 1844.7056 1750.5116 1645.1049 1746.4384 15.87_764.5753m/z 764.5753 15.87 329.5382 370.1808 370.8587 402.2359 417.8256 384.0336 15.87_792.2715m/z 792.2715 15.87 304.1553 257.5793 273.0466 225.0080 230.9959 258.8781 15.88_298.8754m/z 298.8754 15.88 42.0531 19.3127 37.0526 21.5719 27.3614 22.9313 15.88_385.3304m/z 385.3304 15.88 737.8028 813.7657 706.1127 858.7319 771.4147 728.9270 15.88_588.2257m/z 588.2257 15.88 344.0868 416.6031 305.8598 391.1878 382.9315 316.6273 15.88_598.2956m/z 598.2956 15.88 695.0529 681.9121 692.8521 757.9317 778.2782 717.8776 15.88_702.2262m/z 702.2262 15.88 409.9728 312.4496 400.6941 330.2823 363.4080 407.6267 15.88_725.2883n 724.2818 15.88 1572.0845 1564.3807 1640.6104 1602.1044 1485.8608 1664.7070 15.88_746.2607m/z 746.2607 15.88 1253.1746 1150.8471 1246.4697 1186.9880 1170.8966 1236.8731 15.88_806.2401m/z 806.2401 15.88 579.9481 500.9509 585.6507 517.5872 418.8984 522.8656 15.88_989.7010m/z 989.7010 15.88 27.4505 28.5979 53.1790 60.5241 37.9617 40.3827 15.89_164.9330m/z 164.9330 15.89 77.7459 62.9754 70.1341 53.5836 69.7323 67.0722 15.89_172.9661m/z 172.9661 15.89 121.3537 109.9390 116.1252 106.1421 124.0579 105.7339 15.89_267.2314m/z 267.2314 15.89 82.3656 79.2129 80.7404 81.1136 91.2196 76.3407 15.89_415.3203m/z 415.3203 15.89 8889.4209 8911.4508 8898.0787 9633.7964 8979.1182 9061.5727 C27H44O3 Calcitriol "1alpha,25-dihydroxyvitamin D3" 17823 HIGH 15.89_525.3257m/z 525.3257 15.89 552.3915 596.7593 553.9648 618.7203 503.1415 589.8789 15.89_544.2597m/z 544.2597 15.89 463.9346 422.2491 434.3902 433.7178 505.6925 420.7971 15.89_684.3130m/z 684.3130 15.89 179.7913 181.2891 154.8307 193.2225 162.9667 165.0193 15.89_725.4688m/z 725.4688 15.89 501.3482 836.4178 662.0981 836.9945 656.7127 721.5668 15.89_730.2423m/z 730.2423 15.89 86.6387 134.8106 139.4653 128.5511 106.2569 104.9882 15.89_796.2248m/z 796.2248 15.89 319.2487 271.9404 260.0054 291.5024 194.5525 306.7773 15.91_123.0048m/z 123.0048 15.91 76.1001 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542.2684 532.1630 568.0338 602.4776 535.0564 578.8580 C21H32N6O3 Alfentanil Alfentanil 2569 MEDIUM 16.19_467.3158m/z 467.3158 16.19 5068.4008 6552.2375 6495.7978 7069.4958 4767.1255 6954.1105 16.19_477.1478m/z 477.1478 16.19 2788.3797 2810.4241 2877.2677 2773.6058 2817.7263 2806.2233 16.19_479.1461m/z 479.1461 16.19 1402.5217 1405.2042 1522.9126 1350.0095 1389.6547 1475.8663 16.19_481.1421m/z 481.1421 16.19 942.2863 947.2608 990.1857 839.0561 827.1420 923.8094 16.19_486.1809m/z 486.1809 16.19 65.5550 79.1558 36.0387 46.7058 27.7135 50.1474 16.19_527.1325m/z 527.1325 16.19 1262.2333 1218.7756 1231.2502 1194.2652 1197.4683 1223.2016 16.19_544.1573n 543.0614 16.19 3478.3153 3283.5362 3394.2212 3259.1312 3329.8463 3362.1094 16.19_765.4875m/z 765.4875 16.19 177.3373 163.1827 144.2712 218.3856 126.3645 200.9392 16.19_806.3052m/z 806.3052 16.19 127.0505 61.8027 87.7546 107.5605 53.1342 99.0556 16.19_835.4746m/z 835.4746 16.19 607.8481 622.9482 638.9808 676.4791 1061.7899 1247.0624 16.19_914.4084n 895.3906 16.19 1145.4276 1176.2729 1084.7866 1227.9370 1210.7020 1170.0444 16.20_270.2496m/z 270.2496 16.20 85.3769 85.3687 78.5213 84.8579 88.1783 92.8226 16.20_285.2576m/z 285.2576 16.20 612.9984 649.4961 619.3188 707.0008 628.3283 622.7303 16.20_329.2477m/z 329.2477 16.20 11079.6916 11657.7472 11086.4364 12339.4033 11848.3575 11103.8067 16.20_438.2052m/z 438.2052 16.20 381.3060 371.1214 398.8371 422.2352 388.0053 421.3396 16.20_439.3649m/z 439.3649 16.20 2043.3637 2227.5585 2069.5215 2332.1379 2207.8496 2024.0086 16.20_484.1853m/z 484.1853 16.20 99.2182 105.0873 108.2243 111.5270 127.6614 105.5685 16.20_573.1737m/z 573.1737 16.20 232.8758 293.0387 314.6374 228.2790 247.8598 344.2572 16.20_699.0605m/z 699.0605 16.20 145.8218 98.6519 118.7066 107.4122 99.0100 142.3536 16.20_701.0548m/z 701.0548 16.20 29.6353 59.3333 60.0449 44.1920 59.2499 57.3819 16.20_783.3040m/z 783.3040 16.20 1720.6179 1714.7666 1705.5418 1672.0207 1659.0238 1730.4851 16.20_830.2919m/z 830.2919 16.20 38.3393 41.8941 44.4391 25.0603 33.1838 57.8817 16.20_831.3270m/z 831.3270 16.20 3108.1181 3452.2215 3225.3102 3365.7480 3430.6956 3409.9639 16.20_837.3793m/z 837.3793 16.20 315.0230 335.6893 284.7523 323.4654 389.7685 408.5119 16.20_845.3087m/z 845.3087 16.20 1092.2523 997.8838 1109.2644 974.1675 1089.9044 1127.5084 16.21_477.3446m/z 477.3446 16.21 479.7116 467.6000 425.6300 494.5906 475.5385 486.8434 16.21_497.3814m/z 497.3814 16.21 2194.2333 2256.0581 2208.6735 2362.0607 2294.3114 2256.7768 16.21_547.4293m/z 547.4293 16.21 1638.9357 1748.5232 1708.1532 1911.7829 1659.5588 1764.3532 16.21_675.0922m/z 675.0922 16.21 181.9704 225.3861 242.3223 200.6672 235.8784 232.9720 16.21_712.4423m/z 712.4423 16.21 396.6483 377.6373 350.3372 404.9706 411.0146 293.8597 16.21_747.5493m/z 747.5493 16.21 39.0113 79.8279 34.0614 99.2249 62.8796 37.0037 16.21_847.3083m/z 847.3083 16.21 2618.0692 2369.9506 2446.0465 2261.5914 2201.2067 2375.9256 16.21_897.3945m/z 897.3945 16.21 656.5604 662.8449 639.5801 706.8368 822.7425 700.7503 16.21_909.3516m/z 909.3516 16.21 725.6239 778.0303 726.5025 850.0852 747.2600 802.9579 16.22_293.2477m/z 293.2477 16.22 386.2219 429.7216 382.2739 457.7949 387.6029 364.9869 C19H34O2 Methyl linoleate HIGH 16.22_393.2762m/z 393.2762 16.22 712.2016 733.2263 681.8915 793.7430 800.2972 738.9994 C27H40O3 Calcipotriol 50749 MEDIUM 16.22_395.2894m/z 395.2894 16.22 508.3582 645.5053 641.9317 699.4435 558.5543 653.3818 16.22_403.3069m/z 403.3069 16.22 1963.5097 2115.7301 2008.2550 2174.1060 2116.1438 2082.4858 16.22_440.2220m/z 440.2220 16.22 557.7907 655.9374 595.1416 657.1040 629.8728 676.2284 16.22_457.2287m/z 457.2287 16.22 1745.4893 1852.7229 1793.9121 1925.5203 1808.2537 1818.0920 16.22_473.2681m/z 473.2681 16.22 850.0844 888.6793 873.8259 944.3532 908.5885 908.1711 16.22_502.2206m/z 502.2206 16.22 1038.7511 1024.9881 1085.3352 1089.9136 1013.9096 1094.8636 16.22_537.4140m/z 537.4140 16.22 85647.8716 86099.7994 82992.1755 91782.2731 85885.3227 86363.5802 16.22_559.3948m/z 559.3948 16.22 15309.2649 15314.9459 14929.5130 16035.8222 15173.5207 15031.7871 16.22_599.0822m/z 599.0822 16.22 303.4145 308.6886 328.6718 295.8777 287.0241 358.1613 16.22_600.3882n 581.3703 16.22 2818.6013 2671.3030 2563.0649 2681.5141 2831.9160 2521.0701 16.22_601.0817m/z 601.0817 16.22 560.3576 519.7146 591.9261 520.7854 502.6365 612.1363 16.22_603.0838m/z 603.0838 16.22 802.4615 680.1974 875.4464 701.0550 775.2923 820.5317 16.22_605.0830m/z 605.0830 16.22 633.0398 571.7442 733.7464 558.3601 659.9173 651.4255 16.22_607.0871m/z 607.0871 16.22 539.5438 446.7458 511.1961 418.3224 511.3128 499.7912 16.22_609.1018m/z 609.1018 16.22 636.9141 564.3505 641.6192 584.7449 667.6542 704.0183 16.22_611.1103m/z 611.1103 16.22 899.6877 882.7972 1041.5634 875.9472 880.8418 1084.0768 16.22_613.1144m/z 613.1144 16.22 1378.0243 1239.8359 1449.9849 1257.8397 1368.7164 1389.7161 16.22_613.5292m/z 613.5292 16.22 3603.0033 3508.5722 3128.1659 3626.8573 3919.4029 2890.0874 16.22_615.1193m/z 615.1193 16.22 2735.8114 2602.0137 2744.0328 2660.8826 2737.3718 2669.3956 16.22_635.3141m/z 635.3141 16.22 2239.1525 2176.9692 2122.5570 2271.5255 2187.9478 2153.8437 16.22_637.3265m/z 637.3265 16.22 3737.4048 3822.1964 3707.6078 4044.6052 3821.0166 3756.8759 16.22_645.0931m/z 645.0931 16.22 769.5714 705.9901 877.1424 706.4949 756.2423 881.9489 16.22_645.3187m/z 645.3187 16.22 883.9973 925.7349 890.9263 967.0637 876.7288 943.5994 16.22_649.0876m/z 649.0876 16.22 1449.2717 1342.8338 1604.0879 1386.8536 1469.5005 1689.9357 16.22_651.0872m/z 651.0872 16.22 1801.7765 1604.2969 1931.4304 1649.7706 1728.9247 2006.4718 16.22_657.1279m/z 657.1279 16.22 282.3411 202.5678 261.4640 249.3457 274.9624 306.6782 16.22_659.1114m/z 659.1114 16.22 137.8113 139.8706 142.1711 106.1384 94.4169 134.2175 16.22_813.3096m/z 813.3096 16.22 1572.9806 1646.3788 1652.9555 1661.9919 1600.8566 1688.3543 16.22_821.3235m/z 821.3235 16.22 1854.5164 1800.7462 1832.2414 1815.8174 1835.0431 1856.9154 16.22_823.3343m/z 823.3343 16.22 5882.1518 5636.0918 5747.7937 5626.1433 5706.9865 5721.1656 16.22_834.3362n 815.3184 16.22 2390.0084 2312.3414 2424.1354 2445.0217 2542.3417 2593.4218 16.22_855.3301m/z 855.3301 16.22 1796.9105 1930.7156 1927.1697 2012.2773 1952.9390 1976.8850 16.22_857.3245m/z 857.3245 16.22 2532.0629 2653.7809 2734.8856 2931.3296 2748.0107 2811.5641 16.22_859.3214m/z 859.3214 16.22 2792.6668 2758.8446 2692.5695 2961.6658 2861.6654 2840.9770 16.22_861.3198m/z 861.3198 16.22 3726.9222 3887.6821 3902.2611 4210.9137 3949.7712 4095.5286 16.22_867.3480m/z 867.3480 16.22 786.9664 749.7017 729.3812 760.9426 788.2178 755.4248 16.22_869.3524m/z 869.3524 16.22 2151.8936 2158.2519 2087.4128 2212.8214 2290.7249 2312.2698 16.22_907.3783m/z 907.3783 16.22 362.8869 379.1127 329.2148 430.7860 406.8491 387.5140 16.23_199.1693m/z 199.1693 16.23 17.2089 29.5637 19.3768 20.0170 22.2450 8.9511 16.23_403.3539m/z 403.3539 16.23 1352.5991 1245.5294 1289.8485 1360.3217 1416.2491 1260.0736 16.23_517.3874m/z 517.3874 16.23 16811.0432 16965.1675 16634.7875 17604.2008 16644.8173 16934.2637 16.23_647.0910m/z 647.0910 16.23 1466.9672 1285.7139 1574.1895 1266.0286 1391.3496 1598.1669 16.23_647.3387m/z 647.3387 16.23 487.8787 553.1456 500.5402 655.3171 496.1581 569.8144 16.24_298.2436m/z 298.2436 16.24 12.4161 14.7990 23.0703 24.1418 27.9519 19.4288 16.24_433.3288m/z 433.3288 16.24 4981.0614 5076.1903 4977.9450 5128.5150 4983.1581 4870.0660 16.24_459.3437m/z 459.3437 16.24 3166.7186 3136.9837 3169.2471 3343.2633 3159.3435 3110.3080 16.25_221.1500m/z 221.1500 16.25 126.7071 125.3580 131.7206 118.5160 118.3864 125.7183 16.25_505.3454m/z 505.3454 16.25 130.5522 134.7187 135.1819 156.7118 244.3944 204.4861 16.25_589.4437m/z 589.4437 16.25 6030.6918 6154.1179 5892.5598 6590.8913 5955.0745 6091.4174 16.26_293.1783m/z 293.1783 16.26 4645.6657 3638.6552 4215.0720 4269.4979 6384.6545 10800.7723 C14H30O4S Sodium Tetradecyl Sulfate 782257 MEDIUM 16.26_401.3392m/z 401.3392 16.26 762.8109 812.7690 732.4872 855.8734 803.9103 712.2716 16.26_427.3387m/z 427.3387 16.26 423.7909 401.2794 400.9924 497.7990 472.8986 426.8899 16.26_445.3306m/z 445.3306 16.26 87830.6724 89749.6895 87206.4141 93789.1861 87431.3367 88036.9987 16.26_453.2518m/z 453.2518 16.26 792.5549 765.0139 747.7241 765.5743 815.4531 748.0469 16.26_471.3434m/z 471.3434 16.26 2816.3872 2922.5114 2845.3209 3049.3793 2798.5795 2903.7424 16.26_489.3541m/z 489.3541 16.26 7695.1749 7667.4130 7585.2510 7908.3319 7514.3900 7544.7032 16.26_531.3392m/z 531.3392 16.26 1817.7473 1804.3402 1769.4325 1870.3986 1756.7315 1951.2197 16.26_543.2213m/z 543.2213 16.26 1077.4887 1136.7329 1099.8500 1204.2151 1171.5312 1140.0368 16.26_545.2185m/z 545.2185 16.26 2933.0094 2790.4448 2895.0648 2990.2965 2859.9396 2890.7714 16.26_547.2219m/z 547.2219 16.26 2586.1840 2464.9307 2408.0053 2434.3579 2547.8520 2320.5896 16.26_554.3274n 535.3096 16.26 1409.7792 1333.7583 1272.0857 1252.4143 1403.6010 1315.8008 16.26_555.2652m/z 555.2652 16.26 2388.6476 2311.2523 2244.6876 2378.1452 2296.1206 2252.8548 16.26_565.2609m/z 565.2609 16.26 622.7176 611.4770 550.1262 627.6989 615.9433 552.2518 C29H44O12 Ouabain Ouabain 472805 MEDIUM 16.26_565.4365m/z 565.4365 16.26 10367.1771 10719.3204 10339.6276 11265.8458 10411.2015 10546.5867 16.26_567.2608m/z 567.2608 16.26 858.3636 763.8461 785.0892 789.7933 907.7686 815.2431 16.26_569.2602m/z 569.2602 16.26 1450.0750 1485.4354 1485.9214 1544.4678 1473.3397 1481.7336 16.26_576.3555n 557.3377 16.26 2648.9629 2521.1855 2511.6731 2561.8298 2605.7147 2555.9156 16.26_577.2766m/z 577.2766 16.26 1534.9134 1475.3153 1483.2775 1447.8060 1562.7729 1447.5337 16.26_597.2933m/z 597.2933 16.26 612.9652 541.5253 512.1532 491.4015 603.1142 562.8695 16.26_609.4653m/z 609.4653 16.26 4214.3034 3678.5513 3520.7973 3899.6654 4471.2463 3473.6053 16.26_701.1812m/z 701.1812 16.26 342.4075 322.5786 296.8169 331.2370 342.5277 307.0126 16.26_707.2675m/z 707.2675 16.26 1378.3638 1520.3386 1405.0659 1512.5582 1317.0145 1486.2974 16.26_719.2364m/z 719.2364 16.26 352.7975 359.0778 341.5177 355.3807 324.5302 344.8653 16.27_268.2215m/z 268.2215 16.27 144.0840 131.5348 121.8377 115.5837 135.2877 121.2849 16.27_426.3596m/z 426.3596 16.27 44.2945 58.7969 40.8828 54.1621 32.6544 56.6384 16.27_467.3720m/z 467.3720 16.27 58216.8191 57482.9176 57438.2615 60013.4075 57506.2348 58344.2152 16.27_481.3803m/z 481.3803 16.27 3353.0094 3522.1167 3641.0172 3633.9142 3513.7421 3681.4880 16.27_507.3553m/z 507.3553 16.27 893.6044 877.9055 888.6216 960.8329 967.8289 854.4133 16.27_515.3690m/z 515.3690 16.27 2056.6203 2064.9522 2030.9215 2109.4614 1996.3939 2043.5241 16.27_557.0639m/z 557.0639 16.27 409.3737 355.2623 361.7375 280.7342 345.8369 385.9510 16.27_559.0504m/z 559.0504 16.27 382.7006 308.9034 336.4920 295.5060 301.1763 340.2965 16.27_561.0457m/z 561.0457 16.27 406.8514 342.6813 355.5071 343.5672 339.1336 351.0162 16.27_563.0288m/z 563.0288 16.27 317.6614 257.2782 316.9388 245.1908 313.8354 307.7730 16.27_567.0919m/z 567.0919 16.27 392.3554 297.7263 373.8082 246.1670 293.0874 370.8196 16.27_571.1001m/z 571.1001 16.27 1955.9777 1943.5291 1934.8862 1755.6035 1849.8632 1956.5243 16.27_581.0729m/z 581.0729 16.27 190.4827 156.2921 190.5974 139.6067 182.9487 216.4626 16.27_781.2938m/z 781.2938 16.27 1602.6991 1493.0249 1523.4157 1450.2034 1492.6246 1476.9690 16.27_883.3930m/z 883.3930 16.27 1009.3034 965.7288 842.0402 1042.6888 1044.4008 981.9333 16.27_919.4315m/z 919.4315 16.27 421.0721 462.8579 429.4081 511.7188 543.8824 432.5673 16.28_339.2001m/z 339.2001 16.28 4545.3390 4379.4172 4484.4912 4359.6592 4442.3361 4608.5255 16.28_349.2346m/z 349.2346 16.28 13222.2356 12750.1926 13510.0522 13120.4396 13329.1400 13175.9185 16.28_389.2260m/z 389.2260 16.28 908.9845 823.9694 945.1939 849.8727 866.0991 898.8404 16.28_393.1841m/z 393.1841 16.28 552.2586 631.4378 582.7714 575.3959 522.7583 678.2705 C23H26N2O4 Brucine MEDIUM 16.28_417.2215m/z 417.2215 16.28 1607.1446 1565.2074 1637.1629 1512.5895 1590.3154 1530.1362 16.28_430.2145n 429.1407 16.28 9134.0100 8734.5981 9170.3109 8700.4901 8915.6544 8976.1909 16.28_435.1716m/z 435.1716 16.28 5380.5935 5067.9147 5473.4175 4960.4454 5162.2812 5259.3775 16.28_439.1678m/z 439.1678 16.28 1462.8735 1411.5722 1642.7408 1454.2658 1318.7379 1635.5429 16.28_463.2141m/z 463.2141 16.28 821.1265 747.9473 769.0799 687.7467 766.2140 678.8355 16.28_491.2122m/z 491.2122 16.28 271.7731 248.3876 259.8460 263.0475 269.6691 250.9310 16.28_493.1311m/z 493.1311 16.28 1056.2943 975.1479 1040.9040 918.7625 1017.5795 1036.1724 16.28_495.1290m/z 495.1290 16.28 1016.7933 980.4379 1083.0729 971.6687 991.1074 1035.0954 16.28_497.1279m/z 497.1279 16.28 509.4041 508.0383 547.8625 494.1500 462.9225 509.4458 16.28_503.1727m/z 503.1727 16.28 2740.9914 2598.8404 2733.0563 2555.7874 2652.9445 2660.5411 16.28_505.1648m/z 505.1648 16.28 1646.5319 1550.9670 1572.3051 1449.9396 1482.4097 1446.4897 16.28_507.1581m/z 507.1581 16.28 434.7878 387.6355 413.4590 347.8365 371.0249 435.6501 16.28_511.3872m/z 511.3872 16.28 5031.1496 5095.3022 5063.6067 5610.9125 5472.8165 5450.9740 16.28_517.2157m/z 517.2157 16.28 341.3967 316.0520 379.8335 322.0374 316.2759 348.3280 16.28_584.1095n 565.0916 16.28 766.1034 730.1264 743.4246 589.7394 607.1556 758.9020 16.28_621.4270m/z 621.4270 16.28 537.1981 440.6888 480.3784 523.9835 608.1294 517.7879 16.28_741.3990m/z 741.3990 16.28 3260.6058 3262.9382 3231.2097 3165.9320 3300.7050 3228.0182 16.28_785.3640m/z 785.3640 16.28 595.5951 495.2941 564.3933 470.5808 551.2452 518.0533 16.28_787.3229m/z 787.3229 16.28 1644.0625 1681.1010 1598.9594 1650.1972 1675.8168 1585.0423 16.28_790.4065m/z 790.4065 16.28 1113.8777 963.9636 1148.3152 1099.5097 1153.7096 1162.5615 16.28_806.3157m/z 806.3157 16.28 216.2348 354.6131 345.9288 377.7829 202.3368 350.3853 16.28_807.3091m/z 807.3091 16.28 3075.0214 2905.7444 2983.7778 3904.4940 4419.5117 4212.8489 16.28_809.3032m/z 809.3032 16.28 4084.1742 3992.9828 4243.0838 4056.5963 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16.43 774.8394 879.7140 832.8430 931.9416 905.8242 885.3464 16.43_767.3292m/z 767.3292 16.43 910.1434 942.2009 842.4834 940.9432 939.4036 865.3861 16.43_773.2940m/z 773.2940 16.43 832.0769 869.5186 781.6375 879.2979 849.0041 813.4271 16.43_776.2876n 775.2900 16.43 1490.5339 1649.0913 1493.1754 1635.1218 1550.8917 1485.3320 16.43_783.2935m/z 783.2935 16.43 998.2398 998.5949 913.7149 989.7136 1078.1289 991.4117 16.43_831.5525m/z 831.5525 16.43 2605.4159 3010.2991 2966.8200 3216.2452 4643.8076 5021.5311 16.43_850.5400m/z 850.5400 16.43 260.9926 368.3239 347.4420 308.9493 381.9472 410.6729 16.44_128.9477m/z 128.9477 16.44 62.1189 58.8796 56.7265 52.9450 42.0869 54.6028 16.44_337.2295m/z 337.2295 16.44 698.9241 670.4676 654.5828 664.2006 698.4781 809.5294 16.44_383.1991m/z 383.1991 16.44 178.2435 157.4756 138.7426 145.4384 231.5924 177.0548 16.44_545.0591m/z 545.0591 16.44 574.1998 627.9590 641.6514 570.0797 528.5997 610.4826 16.44_562.0927n 561.0447 16.44 1339.1757 1128.6461 1250.5725 1028.9457 1231.8526 1211.4291 16.44_635.0717m/z 635.0717 16.44 841.6377 667.5296 837.5506 494.4791 673.1981 698.9689 16.44_637.0678m/z 637.0678 16.44 816.8851 568.4165 794.5029 503.6658 566.6348 772.0416 16.46_443.2400m/z 443.2400 16.46 176.6377 205.6831 210.9189 194.7837 184.3189 159.0560 16.46_583.0747m/z 583.0747 16.46 162.9230 196.6007 172.8671 187.1468 184.9318 176.2593 16.46_603.3440m/z 603.3440 16.46 997.3260 1247.1319 1058.9059 1302.4656 958.1577 1101.7705 16.46_643.0996m/z 643.0996 16.46 711.2412 621.5157 704.7679 509.0266 577.6684 675.9969 16.46_811.5734m/z 811.5734 16.46 318.5349 487.0918 336.6374 436.7360 418.3259 417.0378 16.46_901.5363m/z 901.5363 16.46 3159.9105 3720.5576 10174.6213 10864.9205 10808.1196 11801.6865 16.46_907.3525m/z 907.3525 16.46 134.7535 219.9043 216.1852 241.4250 219.9252 213.1851 16.47_307.2632m/z 307.2632 16.47 19673.4938 22266.2420 20024.3737 23528.1715 21553.6401 19594.1900 16.47_375.2481m/z 375.2481 16.47 772.8864 854.3190 755.4109 819.5983 827.5268 736.7500 16.47_407.1800m/z 407.1800 16.47 184.3590 220.9609 183.0299 217.4145 204.0201 161.2493 16.47_441.1307m/z 441.1307 16.47 222.6586 336.2430 256.7380 317.4381 289.9426 300.6317 C22H24N2O9 Oxytetracycline Oxytetracycline 27701 MEDIUM 16.47_451.1583m/z 451.1583 16.47 246.0142 323.9994 264.5209 347.7170 310.3040 265.7036 16.47_453.1596m/z 453.1596 16.47 389.7095 461.7965 394.9560 469.8006 454.0052 392.6643 C20H22N8O5 Methotrexate Methotrexate 6837 MEDIUM 16.47_456.2286n 455.1614 16.47 598.6661 578.5383 547.3497 558.3434 652.9913 614.2668 16.47_462.1489n 443.1310 16.47 857.9119 974.3855 889.8440 1025.9645 1124.0821 976.1590 16.47_464.1432n 463.1860 16.47 463.3112 604.8824 491.2763 645.7723 615.4172 514.3211 16.47_465.1841m/z 465.1841 16.47 156.9459 160.5714 140.0487 173.4856 170.6211 182.4810 16.47_581.0804m/z 581.0804 16.47 125.2366 133.6610 110.4793 147.5285 137.1866 119.1484 16.47_585.0659m/z 585.0659 16.47 217.7844 229.3651 234.9658 236.0880 179.5758 179.6684 16.47_587.0576m/z 587.0576 16.47 222.9961 227.4104 213.9557 200.5507 223.8502 246.4676 16.47_589.0463m/z 589.0463 16.47 196.0242 186.5306 168.5140 157.5481 170.8397 157.4560 16.47_591.0807m/z 591.0807 16.47 150.0741 162.6188 177.0267 125.1507 153.2217 180.7478 16.47_597.0766m/z 597.0766 16.47 233.9378 267.1940 241.7748 257.0133 256.3373 243.9610 16.47_599.0880m/z 599.0880 16.47 1196.9900 1166.2408 1188.8644 1044.3210 1153.0137 1124.1620 16.47_625.2614m/z 625.2614 16.47 1315.5122 1464.1341 1313.4753 1424.9522 1326.3594 1374.7363 16.48_639.0818m/z 639.0818 16.48 1793.8892 1443.4180 1533.7231 1242.4168 1448.3239 1505.1766 16.49_719.2354m/z 719.2354 16.49 760.6426 761.4622 617.3816 775.8827 707.2401 726.2404 16.49_755.2545m/z 755.2545 16.49 274.5196 281.6340 178.7647 309.5932 315.3160 226.2294 16.50_349.2577m/z 349.2577 16.50 294.2912 276.1511 279.0478 277.5465 309.2372 239.3157 16.50_669.2926m/z 669.2926 16.50 539.0254 539.5473 460.5206 595.6368 472.9538 466.5486 16.50_737.2452m/z 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16.52_523.2504m/z 523.2504 16.52 479.4452 494.1261 481.0680 551.6581 499.1469 491.7201 16.52_525.2523m/z 525.2523 16.52 864.9030 961.9475 863.4838 990.1250 971.4838 920.7430 16.52_527.2536m/z 527.2536 16.52 1403.1616 1551.7967 1303.8996 1563.5931 1537.8976 1517.3586 16.52_547.2445m/z 547.2445 16.52 634.2766 713.6777 550.8867 779.8174 724.3542 591.0521 16.52_549.2439m/z 549.2439 16.52 313.4562 512.7213 344.1526 474.0797 492.9896 455.8520 16.52_947.5976m/z 947.5976 16.52 136.2602 199.2287 190.4475 158.7585 169.0507 263.7555 16.52_964.5955n 945.5777 16.52 124.9009 265.1235 251.8669 243.6455 227.0058 314.5538 16.53_140.9944m/z 140.9944 16.53 25.0098 13.2801 15.1976 33.5412 30.0284 22.5307 16.53_146.9001m/z 146.9001 16.53 179.1023 173.1620 187.5068 177.7986 173.0600 186.7070 16.53_190.8901m/z 190.8901 16.53 1318.1778 1203.4757 1324.9234 1140.1724 1250.5464 1266.5749 16.53_277.1442m/z 277.1442 16.53 2044.2787 2324.8982 2127.4194 2249.6102 2330.0019 2378.2330 C16H22O4 Monoethylhexyl phthalic acid Monoethylhexyl phthalic acid 17243 HIGH 16.53_353.2942m/z 353.2942 16.53 129.5322 164.0167 146.1099 165.2875 150.9841 142.0319 16.53_389.0984m/z 389.0984 16.53 291.5397 319.4745 312.3385 338.5575 303.2697 310.2526 16.53_405.2597m/z 405.2597 16.53 345.2165 297.2335 363.9603 330.8794 335.7336 346.4695 16.53_409.3653m/z 409.3653 16.53 6249.6394 7080.4033 6271.0121 7282.0911 6665.3745 6239.5530 16.53_420.3538n 419.3477 16.53 794.0940 917.5283 855.9948 906.1173 877.3593 841.7422 16.53_423.3467m/z 423.3467 16.53 2356.1000 2478.4077 2276.2713 2597.7543 2400.6141 2279.7075 16.53_433.3375m/z 433.3375 16.53 1437.9896 1613.9638 1529.6645 1622.5466 1572.6895 1553.7906 16.53_436.3752n 435.3459 16.53 10879.2611 11822.2096 10991.3697 12151.0167 11259.7555 11153.7672 16.53_450.3667n 449.3610 16.53 45711.4442 49762.8327 44926.8276 52479.1575 47851.8744 46220.3745 16.53_456.3783n 437.3604 16.53 9292.6670 10209.0975 9149.6514 10549.5084 9783.6946 9246.1435 16.53_461.3601m/z 461.3601 16.53 11772.7606 12831.7146 11789.7791 13368.2426 12409.1043 12157.3713 16.53_471.3436m/z 471.3436 16.53 5902.6745 5993.5893 5676.6873 6141.6897 5835.1575 5622.4706 16.53_481.3680m/z 481.3680 16.53 1463.6509 1510.7089 1436.8189 1553.0069 1575.9339 1399.5563 16.53_485.3515m/z 485.3515 16.53 433.3074 436.9213 411.1565 460.9492 468.7248 437.1296 16.53_487.3721m/z 487.3721 16.53 1514.7427 1664.3549 1493.8205 1702.2656 1580.2444 1495.7041 16.53_492.3787n 473.3609 16.53 62121.7659 68344.8571 62717.3478 73479.8614 66408.1416 64323.9962 16.53_502.3792m/z 502.3792 16.53 86.8567 127.3343 107.9549 114.6602 111.1477 93.5340 16.53_518.3932n 517.3880 16.53 25249.4873 27364.6051 24868.3173 28768.1810 26444.7202 25381.6793 16.53_519.4020m/z 519.4020 16.53 73428.1626 78512.0213 72420.3759 83278.4137 76453.6829 75483.4125 16.53_526.3968n 525.4378 16.53 1575.7175 1821.5010 1724.0851 2068.4057 1809.1804 1832.2982 16.53_535.3971m/z 535.3971 16.53 8843.7340 9476.9732 8511.9772 9857.7614 9245.1656 8797.7573 16.53_549.4455m/z 549.4455 16.53 4695.2648 5355.3014 4858.4392 5771.7041 5086.7251 5012.0932 16.53_551.4503m/z 551.4503 16.53 1969.1062 2183.3977 1930.2252 2296.7941 2143.7697 1910.0711 16.53_557.3140m/z 557.3140 16.53 2692.0129 2779.9402 2527.8336 2834.9558 2696.9627 2619.6191 C32H48O9 Oleandrin Oleandrin MEDIUM 16.53_559.3591m/z 559.3591 16.53 1209.9072 1269.7325 1125.0221 1349.1499 1303.0799 1177.3170 16.53_562.4160n 543.3981 16.53 6261.2376 6827.4933 6200.1551 6932.6804 6527.4481 6298.4093 16.53_564.4349n 545.4170 16.53 15253.5736 17002.5810 15384.5650 17947.5984 16292.0379 15894.4129 16.53_568.4611m/z 568.4611 16.53 13103.9333 14624.7446 12812.0639 15430.7699 13787.0715 13265.0149 16.53_574.4226n 573.4492 16.53 11536.7760 13130.3326 11830.4318 14383.1604 13362.1670 12467.6725 16.53_581.4655m/z 581.4655 16.53 1263.4281 1400.7329 1316.0390 1518.2451 1384.7740 1370.5971 16.53_584.4607n 565.4428 16.53 8974.1716 9573.1004 8531.2690 10032.8652 9395.2198 9053.2621 16.53_585.3646m/z 585.3646 16.53 653.1154 726.9317 683.4283 762.7743 704.9495 668.7391 16.53_594.4822n 593.4755 16.53 341039.5315 392016.4881 346713.6056 427134.9898 381979.6660 372373.7620 16.53_598.4565m/z 598.4565 16.53 752.8885 872.4771 877.2272 964.2879 811.1567 865.0405 16.53_606.4450n 587.4271 16.53 8754.7260 9793.7858 8740.7595 10114.2010 9350.1321 9199.7317 16.53_608.4619n 589.4440 16.53 11130.2858 12273.0690 11055.1002 12837.7600 11684.1823 11631.4171 16.53_610.4777n 591.4599 16.53 47347.1986 52544.8633 46500.5395 56842.1357 52458.2478 48701.6568 16.53_613.4253m/z 613.4253 16.53 5543.3149 5878.4830 5492.3557 6059.1459 5735.8464 5418.5211 16.53_622.4634n 603.4456 16.53 1346.5398 1445.5268 1374.4003 1558.6714 1420.1650 1425.4545 16.53_623.4665m/z 623.4665 16.53 588.7940 646.6561 622.8405 679.6515 604.2124 604.9322 16.53_642.4058m/z 642.4058 16.53 62.5186 72.3102 78.8716 81.6333 82.7268 76.6520 16.53_712.6409m/z 712.6409 16.53 105.1337 835.0855 1195.8601 931.6356 1172.0138 1172.7735 16.53_735.5474m/z 735.5474 16.53 283.9460 294.2318 385.8193 418.2917 328.8483 374.2455 16.53_760.4998n 759.3154 16.53 1882.7707 2105.9038 1882.1478 2139.1170 2124.8143 2026.5674 16.54_295.2618m/z 295.2618 16.54 6443.7543 6744.0992 6378.8084 7145.7523 6512.4979 6242.9493 16.54_309.1698m/z 309.1698 16.54 141.9635 160.1119 141.0633 158.2994 139.7753 138.0858 16.54_347.1538m/z 347.1538 16.54 67.6959 59.2480 68.3320 76.1225 61.9183 67.5935 16.54_357.2780m/z 357.2780 16.54 2345.4790 2478.6935 2307.3531 2562.0990 2279.0660 2139.8481 C24H40O3 Lithocholic acid Lithocholic acid HMDB00761 MEDIUM 16.54_363.2489m/z 363.2489 16.54 198.7860 190.4558 202.3623 213.1251 189.2779 182.7742 16.54_397.3660m/z 397.3660 16.54 9533.0088 10781.9711 9670.4451 11234.4347 9930.3077 9285.7754 16.54_429.1317m/z 429.1317 16.54 188.4744 234.2751 211.6363 251.0413 212.6965 217.1639 16.54_431.1271m/z 431.1271 16.54 347.0583 492.8057 389.1373 500.3317 466.6670 411.2831 16.54_459.3420m/z 459.3420 16.54 2133.4800 2223.2405 2095.3470 2314.4893 2209.7692 2160.2030 16.54_465.3532m/z 465.3532 16.54 2665.3425 2867.1437 3005.1846 3379.4047 3041.4853 3107.9107 16.54_513.3779m/z 513.3779 16.54 3049.4572 3280.0655 2984.3565 3398.2536 3170.9032 3111.0889 16.54_571.4335m/z 571.4335 16.54 13059.7522 14633.5702 13476.5854 15417.1447 14163.0487 13703.8641 16.54_615.4560m/z 615.4560 16.54 37872.8016 41477.5131 37833.2450 42857.3133 39313.7710 41468.8095 16.54_666.6326m/z 666.6326 16.54 44.9684 381.7938 596.3705 419.1703 583.0192 601.5157 16.54_689.3361m/z 689.3361 16.54 1155.2898 1255.7393 1091.6416 1288.2915 1197.1438 1095.1027 16.54_780.5139m/z 780.5139 16.54 138.8172 302.7222 352.1921 389.2400 397.1838 525.2139 16.54_840.5286m/z 840.5286 16.54 155.4538 200.3086 233.3401 251.2290 226.9410 198.8228 16.55_121.0287m/z 121.0287 16.55 116.8147 102.8503 113.2350 102.6056 110.0288 106.5911 C7H6O2 2-Hydroxybenzaldehyde 2-Hydroxybenzaldehyde 16008 MEDIUM 16.55_159.8937m/z 159.8937 16.55 84.7758 86.1984 89.9236 79.4988 84.0118 101.5760 16.55_340.2006m/z 340.2006 16.55 200.6460 203.6393 193.2444 215.2876 214.4183 303.2791 16.55_356.1607m/z 356.1607 16.55 70.8650 73.0237 48.1349 42.3311 52.2050 53.6577 16.55_404.8799m/z 404.8799 16.55 978.5338 810.6902 896.3738 737.9255 790.9185 778.6307 16.55_555.3025m/z 555.3025 16.55 199.6567 212.9487 167.2699 232.2665 197.9396 163.5460 16.55_599.2993m/z 599.2993 16.55 645.6200 782.4513 791.1419 943.9340 857.0670 776.4269 16.55_645.3226m/z 645.3226 16.55 377.9013 450.4454 378.5027 464.0587 437.2639 351.1760 16.55_691.3578m/z 691.3578 16.55 5095.7787 5657.0393 5043.7301 5915.0086 5437.0054 5387.4046 16.55_693.3657m/z 693.3657 16.55 6726.4409 7644.5467 6657.6227 7926.8800 7200.2060 7091.5718 16.55_929.5727m/z 929.5727 16.55 2030.2513 2963.1710 2317.2042 2454.8918 2804.6357 3493.8217 16.56_160.8921m/z 160.8921 16.56 185.0386 200.9722 177.4205 146.2366 175.3713 182.7849 16.56_505.3335m/z 505.3335 16.56 1410.5603 1494.8727 3359.0634 4006.3239 3607.7325 4474.9542 16.56_596.2873m/z 596.2873 16.56 83.4143 139.6229 72.9179 186.7486 94.7754 51.3486 16.56_695.3659m/z 695.3659 16.56 9224.1022 10370.3693 9210.6258 10785.3594 9722.8221 9543.5235 16.56_816.5323m/z 816.5323 16.56 621.6908 709.4690 735.1055 865.9417 730.9887 796.3892 16.57_513.3500m/z 513.3500 16.57 436.6752 484.3429 422.2277 460.6295 490.0219 451.8221 16.57_625.3204m/z 625.3204 16.57 429.1436 484.7969 422.8907 482.7111 492.6054 378.4203 16.57_638.4035m/z 638.4035 16.57 1917.8116 2312.2573 1952.5743 2429.0022 2169.3991 2055.5267 16.57_655.3837m/z 655.3837 16.57 8106.9344 8922.6783 8209.9846 9173.9089 8582.2489 8489.7868 16.57_683.4264m/z 683.4264 16.57 4679.8017 5034.5287 4773.4220 5103.7161 4761.7167 4805.3912 16.57_701.3877m/z 701.3877 16.57 2693.6226 2948.7243 2705.4452 3054.0279 2795.4725 2667.0436 16.57_751.3699m/z 751.3699 16.57 5654.7448 6399.2194 5768.4928 6608.5352 5860.0131 5957.9434 16.58_386.2329m/z 386.2329 16.58 506.0750 592.7423 514.6150 669.2415 605.9481 649.3945 16.58_632.4101m/z 632.4101 16.58 1710.6114 2054.9599 1811.1835 2098.2557 1778.0768 1845.8631 16.58_865.3692m/z 865.3692 16.58 102.1453 126.9923 99.8153 143.9690 123.7222 140.2551 16.59_296.7354m/z 296.7354 16.59 138.1304 134.2890 134.3715 160.6560 126.3090 146.0555 16.59_533.3956m/z 533.3956 16.59 571.8196 561.4852 494.6786 590.1921 557.6338 517.1255 16.59_767.3542m/z 767.3542 16.59 554.7838 780.9377 627.7892 729.9483 665.7035 772.3856 16.60_296.8670m/z 296.8670 16.60 311.6239 245.9721 247.3052 226.8828 257.4672 281.7686 16.60_362.9317m/z 362.9317 16.60 767.7975 706.0175 758.1144 622.6154 698.1049 720.8569 16.60_600.8146m/z 600.8146 16.60 108.9634 76.7064 87.5623 73.7445 75.2747 52.5550 16.60_832.5311m/z 832.5311 16.60 1081.2572 1420.7923 1393.8655 1731.7921 1680.5175 1683.1719 16.60_911.3338m/z 911.3338 16.60 184.6706 1955.2484 2170.9885 1698.1894 1911.3688 2026.0720 16.62_460.8368m/z 460.8368 16.62 260.2153 205.3026 249.0976 176.1451 187.7571 189.0171 16.62_909.3353m/z 909.3353 16.62 198.8907 936.9124 1004.2502 870.9316 978.2687 976.1814 16.62_913.3305m/z 913.3305 16.62 418.1148 4341.2262 4674.5986 3707.1687 4153.6448 4047.2847 16.62_919.3452m/z 919.3452 16.62 45.8774 624.2590 706.8784 590.9744 650.2821 573.8712 16.63_244.8186m/z 244.8186 16.63 75.1900 60.4647 86.3908 35.9586 63.9587 89.2014 16.63_320.8097m/z 320.8097 16.63 1812.8852 1514.2703 1679.4549 1383.1110 1480.6977 1559.7515 16.63_322.8049m/z 322.8049 16.63 2069.7928 1758.2185 1964.6485 1565.3342 1669.7749 1830.1306 C8Co2O8 Dicobalt octacarbonyl MEDIUM 16.63_400.8649m/z 400.8649 16.63 72.9113 39.9933 64.4945 47.0435 53.8598 36.7177 16.63_423.3770m/z 423.3770 16.63 1715.0074 1933.2045 1763.9415 1958.7089 1792.8428 1760.6858 16.63_723.3728m/z 723.3728 16.63 2325.1587 2549.8026 2196.7673 2580.9118 2335.8393 2327.3278 16.63_769.3555m/z 769.3555 16.63 3088.9615 3302.5427 3087.0023 3319.5519 3188.5390 3130.4592 16.63_921.3552m/z 921.3552 16.63 97.1502 1031.8981 1161.5822 851.1273 1052.7541 963.4806 16.64_334.2687n 333.2780 16.64 1452.8391 1688.1254 1451.4284 1779.0101 1636.5227 1514.5023 16.64_488.8259m/z 488.8259 16.64 657.0152 534.0611 614.2187 478.6678 546.7717 537.4674 16.64_522.4195m/z 522.4195 16.64 10581.1665 11236.4883 10099.9909 11552.8552 10764.2921 10319.8147 16.64_785.3263m/z 785.3263 16.64 937.5884 1002.8334 938.3678 1021.6155 927.4675 1026.2180 16.64_923.3550m/z 923.3550 16.64 191.0682 1946.1967 2087.0375 1780.7324 1974.2135 1984.9276 16.65_603.3285m/z 603.3285 16.65 1160.4569 1353.3907 1138.6957 1296.8375 1232.9844 1199.4817 16.65_717.3584m/z 717.3584 16.65 720.2058 843.7856 683.7457 858.3749 710.4559 681.6498 16.65_727.3765m/z 727.3765 16.65 3728.4933 4138.7960 3663.5147 4278.0721 3887.0924 3636.4901 16.65_761.3335m/z 761.3335 16.65 2843.3107 3049.0263 2702.1043 3228.5931 3019.5488 2854.2765 16.65_780.5625m/z 780.5625 16.65 29.1987 346.3306 427.6172 339.1447 409.0275 455.9461 16.65_907.3478m/z 907.3478 16.65 142.6271 175.8350 136.9209 167.2237 226.0414 123.5527 16.66_451.3756m/z 451.3756 16.66 6341.5341 6811.0032 6097.1650 6949.6938 6545.2730 6334.2942 16.66_842.5479m/z 842.5479 16.66 3373.2118 3865.9718 3697.0164 4063.1298 3610.2803 3973.6147 16.67_439.3745m/z 439.3745 16.67 688.7926 661.5750 598.0001 676.4386 649.4099 631.1387 16.67_715.3453m/z 715.3453 16.67 902.4597 1068.9018 879.8572 1036.1652 962.6391 873.0377 16.67_941.6648m/z 941.6648 16.67 521.9514 728.7066 464.8854 703.0734 668.3950 620.1399 16.68_283.4032m/z 283.4032 16.68 5370.9336 5978.9014 5052.6348 5605.9943 5437.7750 4516.1045 16.68_284.2661m/z 284.2661 16.68 39495.3016 42144.2890 39300.4248 42470.4359 43776.0460 40131.4920 16.68_351.2497m/z 351.2497 16.68 7855.2464 8207.6095 7544.0844 8022.8816 8085.4726 7228.1940 16.68_366.2372m/z 366.2372 16.68 17.9325 31.2884 20.9652 24.1024 26.0382 21.9840 16.68_367.2193m/z 367.2193 16.68 494.3628 436.9992 377.3216 379.6159 429.0055 390.3586 16.68_381.1925m/z 381.1925 16.68 148.8199 144.9183 156.7317 127.2356 153.5993 156.6776 16.68_383.1817m/z 383.1817 16.68 4932.1106 5159.8577 4617.7596 4943.8995 5049.4975 4749.4167 16.68_387.1651m/z 387.1651 16.68 803.8457 821.9332 799.4851 778.7007 763.3068 760.8713 16.68_391.2398m/z 391.2398 16.68 406.4406 422.1024 421.7306 403.3895 424.2541 400.1959 16.68_393.2228m/z 393.2228 16.68 3265.3640 3451.5237 3272.6345 3341.1976 3675.9366 5821.5807 16.68_398.2762n 397.2402 16.68 3317.6256 3469.1972 3320.3973 3276.6149 3378.3016 3077.8133 16.68_405.2584m/z 405.2584 16.68 413.5297 440.9699 392.6930 416.3347 421.9033 392.5521 16.68_412.1822m/z 412.1822 16.68 461.3337 430.9679 443.0895 420.5421 509.2660 446.9286 16.68_417.1283m/z 417.1283 16.68 2441.3389 2532.0529 2406.8525 2497.2321 2501.9124 2477.4818 16.68_419.2368m/z 419.2368 16.68 1169.6126 1159.0449 1131.3566 1192.8842 1105.4384 1074.8920 16.68_429.1547m/z 429.1547 16.68 3433.3007 3479.6688 3467.4444 3515.7708 3557.8592 3530.1324 16.68_432.2343n 413.2165 16.68 3189.7667 3166.2941 3117.0329 3109.0617 3047.6863 3014.1248 16.68_438.1435n 437.1861 16.68 9122.5161 9059.9146 8964.3194 8982.0137 9090.8725 9085.0301 16.68_440.1415n 439.1836 16.68 6071.4922 6021.1084 5875.9261 6096.2086 6057.4183 6068.6691 16.68_442.1396n 441.1821 16.68 3244.5866 3258.7601 3194.3189 3161.2197 3277.9541 3307.3615 16.68_446.1751n 427.1572 16.68 4348.5337 4521.7083 4467.3944 4519.4719 4567.1124 4451.0189 16.68_456.2154m/z 456.2154 16.68 529.7368 555.4614 503.0476 523.6852 526.2110 545.3400 16.68_460.2101m/z 460.2101 16.68 810.9842 876.0170 809.4334 817.5165 799.8595 807.2742 16.68_465.2332m/z 465.2332 16.68 882.3301 875.3901 1055.8474 990.7853 980.5943 1029.4949 16.68_470.1954m/z 470.1954 16.68 306.0064 349.5705 306.8475 300.6659 289.2860 274.7813 16.68_481.2226m/z 481.2226 16.68 1367.5535 1388.8413 1410.8431 1457.9396 1468.2952 1450.2257 16.68_493.2320m/z 493.2320 16.68 379.2666 412.5531 394.1594 359.1576 354.7313 353.8190 16.68_497.1420m/z 497.1420 16.68 701.3143 727.9610 725.0704 694.8210 667.3301 680.8360 16.68_499.1418m/z 499.1418 16.68 495.6933 463.8551 488.1098 433.2321 473.6702 482.0008 16.68_538.2477n 519.2299 16.68 459.7451 453.0133 448.5032 465.8442 440.3333 405.0511 16.68_542.1673n 541.1259 16.68 288.9917 223.5013 296.9521 189.5496 239.6449 253.9323 16.68_552.2310n 551.1666 16.68 1211.1422 1093.8985 1073.8722 1036.8772 1113.0606 1037.0669 16.68_558.1661n 557.0796 16.68 1677.3057 1541.2059 1562.2656 1307.6925 1445.1332 1485.8617 16.68_589.4766m/z 589.4766 16.68 6943.7667 7426.5787 6549.5431 7365.1673 7575.9727 6331.7173 16.68_590.1253m/z 590.1253 16.68 38.9848 51.1917 57.6507 38.5417 56.3295 35.4043 16.68_596.1516m/z 596.1516 16.68 185.4538 193.9091 189.8879 120.2294 143.6314 175.9846 16.68_617.1740m/z 617.1740 16.68 139.9262 89.5843 135.0768 103.5767 117.1018 102.4737 16.68_631.4752m/z 631.4752 16.68 1776.9399 1970.8261 1600.4558 1953.6983 1939.4184 1762.0954 16.68_635.5001m/z 635.5001 16.68 1625.6060 1793.7362 1588.5408 1771.9644 1782.7736 1569.6745 16.68_648.4102m/z 648.4102 16.68 413.3024 391.6690 277.8047 431.9499 392.3906 356.9084 16.68_665.4217m/z 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283.4263 230.7698 141.4758 219.0032 209.6587 120.9243 16.84_882.5378m/z 882.5378 16.84 1590.8499 1853.3304 1913.1266 2179.6716 3295.0092 3813.3601 16.85_152.9824m/z 152.9824 16.85 129.0494 126.0516 132.3843 121.2880 128.9761 129.2500 16.85_515.4053m/z 515.4053 16.85 3584.3000 3924.1378 3700.0025 4111.3186 3877.3494 3698.1125 16.85_649.3856m/z 649.3856 16.85 239.7204 378.7316 228.6748 397.5464 344.4809 297.2704 16.85_745.2375m/z 745.2375 16.85 331.7383 407.9343 318.3819 375.8734 365.8287 303.2486 16.85_778.4950m/z 778.4950 16.85 2668.1617 3180.9739 3020.6307 3215.9554 3208.7514 3208.9020 16.85_806.5239m/z 806.5239 16.85 4013.1545 4492.3181 4333.1640 6583.7066 6380.3908 6168.5566 16.85_856.5201m/z 856.5201 16.85 547.6542 652.7004 635.1556 882.5796 877.6524 831.5621 16.85_866.5498m/z 866.5498 16.85 32943.3680 35783.3430 33503.1425 35913.6554 33842.0693 34820.3732 16.85_934.5295m/z 934.5295 16.85 2902.7010 3578.8981 3425.6796 3703.8351 3259.6991 3624.2010 16.85_979.5054m/z 979.5054 16.85 1709.3562 2077.6486 2062.2178 2371.9825 2084.2630 2214.6526 16.86_621.4920m/z 621.4920 16.86 2972.7878 3530.5770 3074.0434 3663.2543 3186.6235 3239.1093 16.86_635.4151m/z 635.4151 16.86 289.5015 336.7554 258.5960 341.9139 321.4691 229.7962 16.86_988.4519m/z 988.4519 16.86 971.4972 1301.5616 1461.5505 1515.8803 1481.6622 1633.5666 16.87_240.8243m/z 240.8243 16.87 67.3469 51.9625 67.2536 56.8401 51.5904 50.3861 16.87_282.8283m/z 282.8283 16.87 157.7972 123.1300 134.9576 99.3710 112.1178 132.7212 16.87_525.3955m/z 525.3955 16.87 2362.9943 2534.0563 2347.0017 2597.9328 2435.4573 2317.6326 16.87_527.4059m/z 527.4059 16.87 3102.2922 3436.3440 3111.8187 3568.2228 3307.0574 3268.9105 16.87_782.5283m/z 782.5283 16.87 9647.7372 10668.1976 10128.4552 10854.0800 10532.3337 10547.4446 16.87_842.5506m/z 842.5506 16.87 55398.1492 58501.9488 55712.3337 59118.4521 56499.0907 56722.3245 16.87_862.5650m/z 862.5650 16.87 387.8330 471.1207 409.6541 432.1658 557.0672 663.5490 16.87_996.4733m/z 996.4733 16.87 1431.4504 1647.1312 1665.9038 1778.3357 1804.6166 1873.3616 16.87_998.4791m/z 998.4791 16.87 1419.9836 1548.5661 1546.2211 1642.4857 1633.9760 1718.5830 16.88_487.3735m/z 487.3735 16.88 147.3354 157.5107 148.1764 171.9614 181.3690 158.7023 16.88_542.4316m/z 542.4316 16.88 30.3484 35.9700 28.7439 50.7273 44.1157 13.8351 16.88_756.5038m/z 756.5038 16.88 555.6448 699.8940 601.0169 733.0304 704.3024 621.5205 16.88_816.5307m/z 816.5307 16.88 699.6927 767.2325 755.0222 715.7247 748.5511 746.4760 16.89_426.3962m/z 426.3962 16.89 232.9169 292.8179 270.9815 345.6302 296.5846 289.9744 16.90_186.9664m/z 186.9664 16.90 151.5071 137.2930 157.0381 135.9466 114.6307 142.6681 16.90_286.2212m/z 286.2212 16.90 139.8213 150.8891 135.7135 161.6275 136.8667 122.3307 16.90_297.2720m/z 297.2720 16.90 2131.5232 2314.7979 2155.2027 2403.6724 2478.2333 2227.6149 16.90_335.2931m/z 335.2931 16.90 807.9871 946.3051 838.4640 1000.9758 949.5099 863.4490 16.90_561.3829m/z 561.3829 16.90 3187.3177 3235.1524 2690.3471 3289.8368 3050.1615 2951.2251 16.90_648.3693n 629.3515 16.90 1027.0367 1232.9161 989.8529 1312.3897 1116.4309 1069.0361 16.90_675.3628m/z 675.3628 16.90 755.5705 807.0109 699.2591 826.5343 660.4120 692.4741 16.91_171.1381m/z 171.1381 16.91 130.6784 147.7237 147.7902 144.7248 151.9080 162.2705 C10H20O2 Capric acid Capric acid 30813 MEDIUM 16.91_539.4179m/z 539.4179 16.91 160.8239 170.3992 143.7625 167.8621 163.0555 161.4182 16.91_549.4478m/z 549.4478 16.91 28912.4215 31889.8987 29340.7909 33547.3649 31387.5199 30396.3351 16.91_657.4833m/z 657.4833 16.91 1557.0578 1607.0047 1500.3640 1565.3406 1656.6415 1485.6275 16.91_717.5131m/z 717.5131 16.91 3666.0461 4057.0767 3678.7621 3962.9569 3722.1961 3455.8747 16.91_911.5751n 910.5371 16.91 6216.5206 6777.4662 6557.1703 6864.6925 6828.9716 7015.1508 16.91_939.4295m/z 939.4295 16.91 187.4624 300.4798 218.1888 236.9684 207.3172 197.4177 16.91_952.4559m/z 952.4559 16.91 907.1026 1051.6498 1635.8942 1592.4315 1635.3136 1671.5148 16.92_385.3075m/z 385.3075 16.92 348.9910 386.8383 364.3558 441.3830 393.3718 388.8550 16.92_802.5530m/z 802.5530 16.92 729.5489 1215.6778 1261.3854 1264.5707 1159.4098 1281.4300 16.92_950.4534m/z 950.4534 16.92 534.8302 939.7382 1261.2993 1275.3230 1219.7651 1281.9868 16.93_565.4404m/z 565.4404 16.93 2749.1234 3131.7234 2726.2003 3175.6978 2947.8763 2759.5441 16.93_583.3588m/z 583.3588 16.93 63.4696 113.1596 76.1637 113.9284 102.6500 96.6980 16.94_479.4047m/z 479.4047 16.94 1595.1558 1699.8229 1364.8985 1580.4338 1523.2695 1489.8051 16.94_625.4660m/z 625.4660 16.94 242.5621 272.4436 223.4570 287.3422 286.7853 222.9898 16.94_878.5788m/z 878.5788 16.94 1393.7812 1445.6117 1152.6060 1452.8878 1438.3252 1459.2494 16.94_900.5193m/z 900.5193 16.94 140.4560 178.1885 160.8902 180.5489 169.1573 174.2094 16.95_605.4083m/z 605.4083 16.95 5054.5197 5418.0445 4724.7228 5335.8049 5216.7421 5281.9480 16.95_657.3770m/z 657.3770 16.95 1088.8226 1172.1681 1086.2964 1205.3323 1232.1396 1055.4922 16.96_164.9968m/z 164.9968 16.96 273.7700 286.4331 306.7015 294.2318 305.5141 329.3820 16.96_362.9303m/z 362.9303 16.96 3840.1126 3463.3413 3843.2888 3232.4078 3512.2751 3627.1677 16.97_152.9769m/z 152.9769 16.97 84.2415 101.8019 96.3328 90.3466 93.8454 96.8919 16.97_323.2918m/z 323.2918 16.97 117.4069 129.7576 108.1720 155.2881 124.3397 113.1948 16.97_415.3182m/z 415.3182 16.97 290.0161 325.4605 283.9723 347.0763 315.0935 335.8635 C27H44O3 Calcitriol "1alpha,25-dihydroxyvitamin D3" 17823 MEDIUM 16.97_555.4559m/z 555.4559 16.97 2542.5510 3023.9414 2713.2758 3177.3916 2903.0876 2967.8687 16.98_325.3087m/z 325.3087 16.98 156.5464 223.4653 180.5119 213.9659 185.4757 174.2762 16.98_433.3641m/z 433.3641 16.98 1152.8359 1329.2164 1205.7020 1460.2394 1326.9863 1219.4601 16.98_529.4223m/z 529.4223 16.98 17553.5899 19309.5723 18367.1694 20657.3708 19473.1320 19393.3772 16.98_705.5104m/z 705.5104 16.98 857.6970 924.4944 810.7568 947.0495 932.7647 933.4159 16.99_409.3627m/z 409.3627 16.99 71.6085 67.7666 63.2039 97.3407 67.9520 67.9695 16.99_619.3970m/z 619.3970 16.99 335.1793 342.4067 300.4561 346.0886 355.4077 294.2070 16.99_738.5018m/z 738.5018 16.99 2547.5897 2961.7812 2724.3311 3094.5039 2912.7731 2968.3619 16.99_804.5553m/z 804.5553 16.99 313.3318 443.2071 454.6307 555.0725 620.2692 532.7561 17.00_349.3081m/z 349.3081 17.00 158.1069 213.0476 188.7552 227.5682 217.7371 200.9186 17.00_627.3587m/z 627.3587 17.00 175.0753 187.9782 165.0410 231.9158 184.5221 166.6502 17.00_675.4766m/z 675.4766 17.00 554.5992 612.8879 577.5975 605.8801 558.2545 580.4070 17.01_287.2282m/z 287.2282 17.01 173.5627 202.9848 152.4245 204.4658 180.7933 185.6096 17.01_581.5032m/z 581.5032 17.01 1031.9788 1076.0103 993.7899 1155.5534 1152.8581 1057.3351 17.01_637.4038m/z 637.4038 17.01 2688.9097 2961.5553 2752.4682 3192.8357 2969.3128 2848.5595 17.01_652.4070n 651.4725 17.01 580.1339 723.2120 551.0125 728.7730 676.1257 645.0494 17.01_858.5515m/z 858.5515 17.01 5392.0147 6827.4622 6777.7643 6753.8999 7950.0291 8235.1010 17.01_923.6041n 922.6793 17.01 2859.0481 5908.0743 6420.6492 5683.4498 6370.9533 6302.5053 17.02_288.9349m/z 288.9349 17.02 2243.0339 1907.5109 2196.6928 1862.6754 2046.5319 2136.4476 17.02_294.9456m/z 294.9456 17.02 4417.6003 3925.0645 4409.7833 3827.9402 3996.8966 4272.4026 17.02_361.3083m/z 361.3083 17.02 230.9013 261.9436 247.7635 259.5824 263.4778 245.1725 17.02_395.3496m/z 395.3496 17.02 96.6273 90.8479 102.7409 123.6968 95.3265 54.4087 17.02_575.4639m/z 575.4639 17.02 68966.4302 76381.0047 72287.0884 82269.4060 77623.2671 75102.2501 17.02_743.5220m/z 743.5220 17.02 369.1508 521.8333 442.9970 519.4292 488.9628 495.6195 17.02_972.5501m/z 972.5501 17.02 753.3394 831.7794 763.3068 821.9164 869.9746 888.5205 17.03_143.9862m/z 143.9862 17.03 635.5677 658.3003 642.5128 557.9112 558.0441 568.4244 17.03_370.8937m/z 370.8937 17.03 819.9798 712.3098 797.4413 692.5606 747.9106 765.5809 17.03_378.9139m/z 378.9139 17.03 1553.6176 1355.1751 1535.4856 1277.0358 1333.5146 1435.2248 17.03_424.3823m/z 424.3823 17.03 30.5925 36.2288 30.3772 45.0398 58.1735 26.4062 17.03_644.4179m/z 644.4179 17.03 815.7760 1162.4274 946.0898 1200.8534 1038.9058 1090.7403 17.03_757.4150m/z 757.4150 17.03 215.2086 277.6310 248.6120 255.3993 280.0166 196.5681 17.03_764.5208m/z 764.5208 17.03 3366.6055 3730.1637 3467.9535 3913.9575 3784.8429 3877.3155 17.03_852.5658m/z 852.5658 17.03 1526.8484 1887.3920 1777.4022 1908.1005 1892.6562 2021.7486 17.03_873.6862m/z 873.6862 17.03 539.4212 1519.6662 1799.9744 1470.4601 1793.1755 1801.5921 17.04_687.3820m/z 687.3820 17.04 942.1870 1040.3685 940.7897 1145.3816 992.8452 1011.6537 17.04_753.3556m/z 753.3556 17.04 894.0029 904.4403 873.3632 990.7960 892.2824 914.8775 17.04_826.5537m/z 826.5537 17.04 2879.5343 3426.5087 3284.8589 3367.8489 3371.4947 3354.4644 17.04_828.5658m/z 828.5658 17.04 4965.5000 5866.9021 5602.0178 5856.7129 5626.4313 5795.8593 17.06_160.9819m/z 160.9819 17.06 11937.2540 11080.2189 12004.1913 10674.3306 11006.2187 11493.6487 17.06_425.8990n 406.8812 17.06 6316.9019 5457.7773 6275.0034 5070.4427 5581.4487 5766.9141 17.06_437.3615m/z 437.3615 17.06 2325.3916 2705.1917 2402.3800 2899.2604 2627.1078 2529.0995 17.06_591.4583m/z 591.4583 17.06 6153.6766 6453.7653 6022.7669 6661.0349 6689.1983 6201.2681 17.06_716.5242m/z 716.5242 17.06 261.4046 301.2543 227.1238 298.7494 290.0663 251.1489 17.06_819.3247m/z 819.3247 17.06 243.0533 259.1927 225.8533 255.3236 243.3714 257.0266 17.07_381.3348m/z 381.3348 17.07 152.9456 176.2914 157.2963 170.6422 184.9048 165.8444 17.07_440.4020m/z 440.4020 17.07 26.3930 42.8256 20.4456 41.7642 55.5147 17.6786 17.07_462.3655m/z 462.3655 17.07 1041.2337 1329.9233 1321.5198 1471.3924 1552.0375 1477.7379 17.07_562.2917m/z 562.2917 17.07 134.3134 170.9211 105.3766 173.5620 145.6245 137.4824 17.07_862.5791m/z 862.5791 17.07 977.3506 1476.5470 1501.3477 1418.9688 1707.5338 1955.9395 17.08_505.4196m/z 505.4196 17.08 4937.4695 5360.4659 6696.3784 7025.2157 6470.9767 6561.4871 17.08_555.4383m/z 555.4383 17.08 8564.7914 9525.2710 9165.9411 10321.4593 9709.1457 10130.1307 17.08_610.4394m/z 610.4394 17.08 375.1161 394.1154 346.0700 394.5445 381.4268 331.7371 17.08_663.3632m/z 663.3632 17.08 492.7520 540.4002 452.5819 595.5504 570.5655 484.5374 17.08_671.5058m/z 671.5058 17.08 200.8017 193.7490 175.6208 181.0681 218.8405 189.6184 17.08_731.5223m/z 731.5223 17.08 1285.9496 1458.1784 1308.4169 1487.5311 1384.0040 1314.0481 17.08_747.1680m/z 747.1680 17.08 346.3592 233.6247 266.5311 181.8390 232.3377 177.6597 17.09_325.3092m/z 325.3092 17.09 175.7954 207.2745 183.2172 223.4626 221.2037 185.0333 17.09_444.3565m/z 444.3565 17.09 305.7894 349.9348 339.9014 320.4585 340.7138 357.8206 17.09_701.5101m/z 701.5101 17.09 412.6456 600.4954 533.2705 650.5680 558.0553 520.2612 17.09_761.5378m/z 761.5378 17.09 552.0755 585.7631 594.3814 587.3713 576.7798 561.2721 17.09_878.5844m/z 878.5844 17.09 174.1699 269.9407 248.7516 275.2641 214.5220 242.5015 17.10_426.3631m/z 426.3631 17.10 137.3332 150.0480 123.3182 147.0255 140.1379 129.5670 17.10_541.0774m/z 541.0774 17.10 77.3655 53.8317 82.2550 49.2262 37.2102 62.8318 17.10_589.4377m/z 589.4377 17.10 1584.1679 1774.6417 1635.2996 1890.3813 1889.2621 1720.1215 17.10_608.4230m/z 608.4230 17.10 108.7823 156.8792 74.5501 166.9227 125.4021 112.4085 17.10_619.3236m/z 619.3236 17.10 662.4290 773.2221 636.1074 778.4984 755.0550 690.4370 17.10_758.5270m/z 758.5270 17.10 550.7625 751.5835 682.9431 801.7846 752.2151 778.1282 17.10_786.5602m/z 786.5602 17.10 1380.9637 1508.6856 1440.8518 1543.4578 1435.7787 1525.2174 17.10_839.5252m/z 839.5252 17.10 111.7479 128.9696 70.5263 165.6367 113.2851 179.3444 17.10_846.5810m/z 846.5810 17.10 20047.1129 20977.9381 20082.2662 21485.0189 20662.1315 20899.2016 17.10_914.5590m/z 914.5590 17.10 1864.3914 1994.0768 2105.6604 2205.2541 2159.0995 2148.0965 17.10_967.5626m/z 967.5626 17.10 358.6165 407.4636 396.8012 435.4418 469.1016 420.8564 17.10_976.5142m/z 976.5142 17.10 520.8360 589.6579 563.9600 601.9656 632.5643 636.4709 17.10_982.5334m/z 982.5334 17.10 1585.7314 1763.3787 1781.8566 1958.7721 1930.3305 1861.4208 17.11_769.5341m/z 769.5341 17.11 677.0012 778.3937 724.6793 821.8152 867.7017 833.2146 17.11_778.5450m/z 778.5450 17.11 1077.1659 1461.3839 1313.8787 1431.5684 1553.2006 1522.8419 17.11_954.4965m/z 954.4965 17.11 718.7007 1011.7662 1089.3049 1072.5208 1186.5110 1438.9727 17.11_966.5054m/z 966.5054 17.11 72.6008 121.9919 89.6673 108.5805 164.9717 141.7583 17.12_311.2939m/z 311.2939 17.12 3180.7306 3623.3380 3180.8462 4075.6054 3888.4601 3259.6197 C20H40O2 Phytanic acid Phytanic acid HMDB00801 HIGH 17.12_379.2778m/z 379.2778 17.12 68.4073 96.6201 83.9966 106.6374 94.8584 64.7922 17.12_421.2535m/z 421.2535 17.12 15.2637 18.5586 29.4089 27.7185 40.3112 25.8859 17.12_636.4535m/z 636.4535 17.12 538.2702 562.1484 472.6371 541.3978 523.1077 533.6540 17.12_667.4418m/z 667.4418 17.12 220.6419 332.8179 221.0916 337.4440 298.9539 297.8928 17.12_677.4907m/z 677.4907 17.12 2964.0444 3599.1809 3167.9445 3835.8960 3615.2680 3370.5492 17.12_734.4798m/z 734.4798 17.12 54.7883 116.0614 83.0407 155.9771 99.7617 76.9266 17.12_748.4830m/z 748.4830 17.12 117.5198 238.3545 233.7132 285.4018 284.1742 246.0964 17.12_887.3055m/z 887.3055 17.12 575.4522 605.8475 488.9387 541.0297 516.3182 288.1570 17.12_891.3107m/z 891.3107 17.12 132.1989 130.3444 101.0508 137.2324 87.2776 65.2000 17.12_969.5901m/z 969.5901 17.12 1115.4330 1401.6085 1283.2736 1472.7484 1568.4555 1551.5726 17.13_962.5449m/z 962.5449 17.13 1011.2410 1285.7168 1289.6019 1323.9266 1359.2045 1359.0424 17.14_675.4739m/z 675.4739 17.14 166.7947 169.6688 117.4641 214.1579 185.7479 153.1648 17.14_742.5381m/z 742.5381 17.14 425.3626 566.0516 477.1230 584.8436 636.2702 537.2066 17.14_894.5757m/z 894.5757 17.14 9706.2612 10709.9599 10520.1240 10805.8984 10715.3945 10990.5411 17.14_931.4450m/z 931.4450 17.14 386.8600 395.0112 360.2802 411.5692 474.9214 390.2890 17.15_387.3242m/z 387.3242 17.15 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28705.5429 30629.2351 30334.5840 28730.0973 18.07_573.3333m/z 573.3333 18.07 143.2929 185.1129 136.3523 185.3108 178.7741 158.6293 18.07_578.2907m/z 578.2907 18.07 150.1567 125.6820 133.4164 110.6445 164.6773 122.1351 18.07_587.3457m/z 587.3457 18.07 198.1709 199.6766 196.1462 220.0129 215.3475 216.1953 18.07_643.2072m/z 643.2072 18.07 126.7499 118.3142 122.6354 130.0635 82.1191 100.5030 18.07_653.2438m/z 653.2438 18.07 265.1605 247.5452 246.9921 271.7595 246.4627 257.5284 18.07_655.2428m/z 655.2428 18.07 243.7817 251.9269 250.2982 245.1554 203.6419 180.0089 18.07_683.1642m/z 683.1642 18.07 14856.1318 12678.4980 15225.2155 12178.7228 11959.7999 12637.3129 18.07_685.1627m/z 685.1627 18.07 24249.2346 20655.2023 24502.5115 20186.6990 19544.7959 20788.1814 18.07_687.1611m/z 687.1611 18.07 24792.9375 21220.8701 25067.9757 20571.5267 20043.6120 21481.9630 18.07_689.1593m/z 689.1593 18.07 18871.9194 15976.4768 19068.6157 15529.1170 15054.1564 16002.4299 18.07_754.5311m/z 754.5311 18.07 111.0313 170.0629 121.5820 196.3122 187.7063 154.8809 18.07_840.5689m/z 840.5689 18.07 6348.0937 6638.9099 6676.3325 6616.9224 6664.0694 6673.7103 18.07_861.6680m/z 861.6680 18.07 3715.6231 4786.2190 3434.8971 5465.2056 5458.1263 4951.6339 18.07_873.6885m/z 873.6885 18.07 3883.4046 5008.9084 3703.3592 5568.8634 5149.2198 4665.7938 18.07_887.6661m/z 887.6661 18.07 2745.8633 3364.9539 2678.6026 3713.6869 3918.3304 3885.4711 18.07_936.4233m/z 936.4233 18.07 440.7923 485.6854 469.7536 458.7733 460.4580 474.7927 18.08_152.9781m/z 152.9781 18.08 1003.9480 1050.2882 1022.9431 1061.1875 1049.9053 1036.1553 18.08_154.9319m/z 154.9319 18.08 282.5390 240.2173 290.8076 247.5938 239.6535 258.2770 18.08_200.9189m/z 200.9189 18.08 1389.3825 1166.5896 1398.1868 1089.4993 1176.0602 1251.1222 18.08_673.1361m/z 673.1361 18.08 3940.2618 3178.7897 4084.4082 3067.7738 2992.4553 3374.7428 18.08_694.1517n 693.1922 18.08 19750.5820 17030.2704 19849.7552 16503.6386 15831.2852 16879.0860 18.08_696.1496n 695.1913 18.08 23611.2092 20346.1727 23614.1892 19747.8939 18898.0459 20011.3416 18.08_698.1475n 697.1901 18.08 30016.5830 26238.3567 29925.1336 25406.5502 24337.8594 25344.1123 18.08_95.0094m/z 95.0094 18.08 93.4561 92.3055 87.9346 86.7577 101.4605 91.0759 H4N2O4 Hydroxylammonium nitrate MEDIUM 18.08_994.4545m/z 994.4545 18.08 533.2776 619.2982 1182.9724 1087.5653 1110.0844 1284.0182 18.09_459.3342m/z 459.3342 18.09 46.5086 50.6165 50.0165 68.8281 68.3389 51.8712 18.09_779.5591m/z 779.5591 18.09 2753.0413 2818.1477 2577.9094 2837.8360 2929.7851 2697.0380 18.09_916.4311m/z 916.4311 18.09 804.2230 847.0814 745.5148 799.2513 846.2639 812.8801 18.09_926.4515m/z 926.4515 18.09 10429.4217 11747.8640 10501.5713 11724.1817 11503.0131 11778.9346 18.10_786.5602m/z 786.5602 18.10 9620.2758 9687.0281 10070.3140 9732.5612 10380.2121 10142.2067 18.11_104.9084m/z 104.9084 18.11 27.7281 23.7555 23.0247 16.0709 22.4399 24.6054 18.11_522.8297m/z 522.8297 18.11 244.1836 203.7992 225.1804 150.9441 195.2465 187.2265 18.11_647.4227m/z 647.4227 18.11 107.5911 127.9224 97.8241 132.8683 131.5411 125.9617 18.11_659.4358m/z 659.4358 18.11 123.8203 138.5777 90.9116 133.0786 120.3265 120.3407 18.11_671.4286m/z 671.4286 18.11 358.3932 457.8160 371.1444 439.6927 421.2546 403.5538 18.11_673.4239m/z 673.4239 18.11 279.1343 356.9603 275.2563 316.6069 303.1516 273.8221 18.11_852.4429m/z 852.4429 18.11 6011.5397 6148.4534 5477.7190 6049.2298 6500.8934 5880.1424 18.11_854.4356m/z 854.4356 18.11 4252.7157 5046.3231 3761.4234 5154.3671 5324.7511 4712.0443 18.12_217.9509m/z 217.9509 18.12 199.6765 196.3176 201.2173 206.5622 180.4820 196.2423 18.12_537.4838m/z 537.4838 18.12 82.1092 154.0577 116.6937 153.5778 155.9368 141.1257 18.13_199.1688m/z 199.1688 18.13 68.4118 51.8312 66.0609 63.1685 44.5257 51.8944 18.13_277.1467m/z 277.1467 18.13 287.7894 301.3301 336.7411 305.2743 330.5084 341.4902 C16H22O4 Diisobutyl phthalate 894546 MEDIUM 18.13_297.1518m/z 297.1518 18.13 63.0102 55.5611 87.3395 62.7264 65.6975 80.5162 18.13_557.4533m/z 557.4533 18.13 241.6493 309.2284 278.4579 355.0978 325.5288 323.3939 18.13_561.4845m/z 561.4845 18.13 3188.5831 3598.5275 3577.8548 3966.5983 4023.4632 4103.6376 18.13_698.5067m/z 698.5067 18.13 7356.8966 8925.7433 7333.9603 8714.7923 8640.4044 7966.8017 18.13_756.5493m/z 756.5493 18.13 1543.7826 2407.8841 2615.6794 2464.4448 2692.2182 2790.8126 18.13_816.5691m/z 816.5691 18.13 17617.9832 17877.0498 18552.2068 18031.3430 18418.4520 18550.0518 18.13_923.5358m/z 923.5358 18.13 1473.8049 1494.1325 1409.6548 1465.6760 1524.6301 1495.1113 18.14_296.8699m/z 296.8699 18.14 367.9729 292.7298 357.8222 267.7125 277.7709 273.3594 18.14_300.2593m/z 300.2593 18.14 9.9503 23.4982 24.7184 23.6733 17.5879 5.5661 18.14_315.8996m/z 315.8996 18.14 985.6287 796.9922 1050.4978 761.6554 853.6588 888.5418 18.14_381.3718m/z 381.3718 18.14 4008.0229 4616.5574 4403.5154 4724.6785 4538.8551 4661.9661 18.14_628.5441m/z 628.5441 18.14 235.4635 283.3271 173.0786 278.6019 248.9213 207.3845 18.14_976.4843m/z 976.4843 18.14 174.4225 110.8412 179.2815 168.6829 171.4079 180.5761 18.14_982.4970m/z 982.4970 18.14 380.5263 333.7882 413.8080 336.1951 370.2113 362.9100 18.14_984.4985m/z 984.4985 18.14 534.9043 480.8969 674.9171 544.2751 638.6746 704.9203 18.14_990.5136m/z 990.5136 18.14 738.8215 678.1846 1062.4834 939.3476 950.6322 1083.1132 18.15_238.9926m/z 238.9926 18.15 586.1928 541.9214 590.2647 557.5808 581.6925 618.5707 18.15_252.9729m/z 252.9729 18.15 627.8045 566.7518 647.4802 579.4172 588.9735 602.9095 18.15_257.2336m/z 257.2336 18.15 31.7538 29.8453 28.9531 18.5030 27.7194 26.9484 18.15_303.2276m/z 303.2276 18.15 87.9550 106.3449 99.8143 108.0969 102.0782 127.2940 18.15_596.5217m/z 596.5217 18.15 274.7710 329.4669 204.8572 288.8300 271.2086 217.0224 18.15_597.3021m/z 597.3021 18.15 765.5715 837.5721 747.3086 1012.9397 1041.2737 1008.8930 18.15_836.5650m/z 836.5650 18.15 7529.6119 8085.4351 8538.3030 9159.6995 10126.8821 10394.5129 18.15_878.5883m/z 878.5883 18.15 515.4590 438.3216 544.2060 475.1199 420.5274 454.3113 18.15_957.5528n 956.4839 18.15 301.0575 248.3593 333.7089 267.7470 286.2598 299.6208 18.15_966.5049m/z 966.5049 18.15 368.8627 374.7452 448.2134 340.5836 418.7101 436.5273 18.15_968.5042m/z 968.5042 18.15 320.6604 274.5078 324.1950 303.0307 300.5378 300.3594 18.16_466.3273m/z 466.3273 18.16 29.9164 35.1565 49.9849 51.3295 44.8626 37.9250 18.16_812.5772m/z 812.5772 18.16 21109.7072 21124.9974 22166.2015 20894.0355 21297.5031 21766.6094 18.16_866.5760m/z 866.5760 18.16 899.3103 883.7201 882.7817 827.0679 910.6554 859.2762 18.16_892.4324m/z 892.4324 18.16 4098.4261 4312.2642 4017.3283 4070.9070 4156.3253 4202.5142 18.16_970.4634m/z 970.4634 18.16 1439.3847 1396.5882 1456.5766 1368.2468 1451.2808 1505.7467 18.17_523.4327m/z 523.4327 18.17 131.6447 124.8964 125.9779 132.8151 109.9240 110.5950 18.17_528.2282m/z 528.2282 18.17 104.9211 120.2475 81.1249 100.9225 110.3458 113.2400 18.17_810.4502m/z 810.4502 18.17 1084.5669 1021.7921 1225.9850 1191.3314 1291.7093 1321.5237 18.17_862.5566m/z 862.5566 18.17 3921.0463 4098.5732 4182.6908 4240.0365 6417.8337 7293.7986 18.17_894.4331m/z 894.4331 18.17 4196.7385 4515.1182 4087.1121 4297.3943 4444.6015 4363.8459 18.17_902.4514m/z 902.4514 18.17 24682.3438 26901.1351 23961.4796 25568.1284 25842.6788 25911.7881 18.17_904.4524m/z 904.4524 18.17 38873.6373 42648.7506 37513.2758 40533.4756 41626.3933 41759.7854 18.18_356.2788m/z 356.2788 18.18 139.2277 124.8978 149.4941 126.1032 134.7123 142.4111 18.18_526.2261m/z 526.2261 18.18 211.3728 251.7629 216.7573 239.7176 220.8054 224.1159 18.18_760.5180m/z 760.5180 18.18 1706.8442 2085.1389 1819.4468 2035.4855 2045.4799 1919.9027 18.19_462.2963m/z 462.2963 18.19 139.2414 163.3424 141.3047 188.5902 196.3246 167.5421 18.19_695.5833m/z 695.5833 18.19 437.7991 512.4049 558.1131 462.1170 525.2983 566.0985 18.19_713.5493m/z 713.5493 18.19 94.8426 131.9994 79.9089 122.5638 135.4063 110.7438 18.19_748.5253m/z 748.5253 18.19 89624.3234 112557.2690 93287.0802 115070.6481 108210.9641 106526.2849 18.20_105.0135m/z 105.0135 18.20 184.6530 173.1501 172.3568 164.4358 171.2607 168.8393 18.20_128.9746m/z 128.9746 18.20 417.9222 419.8295 383.9924 387.9129 406.4407 381.7344 18.20_154.9734m/z 154.9734 18.20 6173.7418 6340.3653 6017.6258 6237.2807 6243.9589 6027.6900 18.20_187.9409m/z 187.9409 18.20 72.3721 64.2896 70.6901 61.4371 67.6013 57.7315 18.20_349.2028m/z 349.2028 18.20 19.9415 28.0295 26.4689 14.5917 19.5393 14.8899 18.20_377.2278m/z 377.2278 18.20 227.2759 240.6513 232.8315 227.3461 245.1026 191.7692 18.20_389.2326m/z 389.2326 18.20 237.3209 249.1291 236.5005 203.2509 245.4822 198.4037 18.20_393.2373m/z 393.2373 18.20 226.0338 237.1322 211.1057 211.8178 209.2395 192.4755 18.20_417.2268m/z 417.2268 18.20 168.5564 189.1896 172.6135 177.1884 154.8519 155.8555 18.20_538.5094m/z 538.5094 18.20 102.0293 124.6922 85.9329 124.9517 133.7138 103.0216 18.20_584.5213m/z 584.5213 18.20 572.6527 678.7038 483.7606 591.6283 631.5165 492.4011 18.20_683.4810m/z 683.4810 18.20 1177.4647 1362.3022 1077.0379 1189.6706 1181.1951 1109.5556 18.20_733.5453m/z 733.5453 18.20 190.5736 436.2661 699.7251 723.4067 722.3805 764.6224 18.21_110.9840m/z 110.9840 18.21 1618.0806 1672.1445 1594.2359 1630.4511 1652.3055 1601.9421 18.21_365.2059m/z 365.2059 18.21 601.5162 612.9897 589.9071 597.0070 590.8848 555.3602 18.21_391.2105m/z 391.2105 18.21 229.3418 228.4020 211.9462 201.8020 206.1120 199.8305 18.21_405.2506m/z 405.2506 18.21 125.2675 152.7992 124.5062 110.9722 136.1552 109.5613 18.21_432.2240m/z 432.2240 18.21 91.2727 93.3821 57.9173 66.4650 72.8718 45.3854 18.21_633.4686m/z 633.4686 18.21 120.9527 161.6343 135.1603 140.2085 151.5289 133.3580 18.21_669.5638m/z 669.5638 18.21 153.2397 604.9950 641.7018 566.0939 674.2596 691.5484 18.21_716.5206m/z 716.5206 18.21 6779.5214 8144.0165 6311.8633 8073.4816 7875.2730 6838.8208 18.21_724.5250m/z 724.5250 18.21 23435.4128 28418.9160 23876.7666 28747.9828 27483.2930 26484.5539 18.21_784.5224m/z 784.5224 18.21 316.6077 457.2653 561.3659 532.9325 566.9270 639.7762 18.21_794.5515m/z 794.5515 18.21 8232.7854 8272.4228 9191.7524 9026.9257 8694.0509 9379.3358 18.21_804.5733m/z 804.5733 18.21 177880.3844 171463.4196 175442.7298 165423.3714 168394.7204 169507.8161 18.21_84.9855m/z 84.9855 18.21 126.2177 125.9737 121.5516 113.0105 124.5371 113.9798 18.22_124.0075m/z 124.0075 18.22 12.4518 10.9260 10.8587 11.2982 3.1273 3.9069 18.22_870.4608m/z 870.4608 18.22 3497.5289 3836.1417 3296.4410 3501.8569 3500.3990 3353.4187 18.23_172.9660m/z 172.9660 18.23 282.9722 244.6948 256.8201 234.9015 242.9660 258.8139 18.23_281.2479m/z 281.2479 18.23 305.9326 295.1621 339.4825 332.7247 329.3822 332.4374 C18H34O2 Oleic acid Oleic acid 16196 MEDIUM 18.23_872.5559m/z 872.5559 18.23 12714.2263 12511.4742 12619.0258 11853.9920 12195.4840 12230.0483 18.23_882.4577m/z 882.4577 18.23 6621.8408 7101.0266 6291.9131 6794.9289 7208.6440 6942.3511 18.24_231.9276m/z 231.9276 18.24 46.7271 47.3489 50.1619 44.2273 37.4442 54.4050 18.24_607.4528m/z 607.4528 18.24 93.0038 92.7435 115.7211 79.9379 107.0835 109.0090 18.24_823.7031m/z 823.7031 18.24 1045.9823 990.0212 1149.5494 993.2734 1046.0815 1044.7785 18.24_959.5592n 958.4964 18.24 8421.1284 7680.8822 8875.9823 7665.8941 7931.4491 8379.9959 18.26_367.3562m/z 367.3562 18.26 4685.9508 4816.8120 4560.3391 4921.6752 5116.8297 4598.5117 C24H48O2 Tetracosanoic acid Lignoceric acid HMDB02003 MEDIUM 18.26_477.3292m/z 477.3292 18.26 263.0210 310.4625 234.0252 265.1242 273.9947 246.0005 18.26_511.2543m/z 511.2543 18.26 33.5843 29.4942 33.3968 52.7338 30.8083 29.3795 18.26_515.3463m/z 515.3463 18.26 179.2507 182.9121 152.1865 165.6440 174.4928 128.2872 18.26_523.2850m/z 523.2850 18.26 32.6251 55.6849 24.0629 40.6986 48.6065 29.1892 18.26_736.5236m/z 736.5236 18.26 1616.6928 2095.2053 1737.8780 2153.2703 2041.3126 1961.6295 18.26_890.4707m/z 890.4707 18.26 1211.1122 1254.7423 1162.2513 1180.4748 1183.1128 1222.9145 18.26_917.4534m/z 917.4534 18.26 61.1916 84.2135 25.6210 61.5904 55.9534 51.4883 18.27_223.0174m/z 223.0174 18.27 169.0626 158.1841 169.6192 147.1135 148.2155 161.9575 18.27_523.4333m/z 523.4333 18.27 166.3079 131.8122 167.7797 142.2130 120.6820 133.5190 18.27_597.3019m/z 597.3019 18.27 348.1095 378.7092 304.3098 349.4914 367.3449 313.5094 18.28_199.1686m/z 199.1686 18.28 72.0278 79.8278 89.7265 72.8172 85.6955 70.9222 18.28_300.2606m/z 300.2606 18.28 29.6863 21.9071 36.5553 18.9036 34.9599 17.7929 18.28_641.5073m/z 641.5073 18.28 69.6133 87.1828 71.2538 110.2816 94.1849 79.9121 18.28_818.5653m/z 818.5653 18.28 5130.6160 5355.3584 5627.0630 5559.4948 5478.8948 5612.7274 18.28_878.5901m/z 878.5901 18.28 27127.0730 26265.0886 26290.8833 24817.4843 24939.7245 24978.8469 18.29_277.1472m/z 277.1472 18.29 296.8102 324.8995 356.7574 349.6093 377.1470 410.0299 C16H22O4 Diisobutyl phthalate 894546 MEDIUM 18.29_294.9446m/z 294.9446 18.29 2044.3843 1804.5989 2111.5466 1798.9523 1936.7941 1925.2043 18.29_778.5738m/z 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1120.6922 1153.7711 19.95_334.9739m/z 334.9739 19.95 158.9484 156.5842 161.8842 141.3558 166.9780 146.9992 19.95_557.0614m/z 557.0614 19.95 32.1104 25.4896 16.2046 31.0448 35.8144 33.7562 19.95_826.6676m/z 826.6676 19.95 740.4618 816.0053 747.9123 792.3122 803.9985 789.3052 19.95_874.6718m/z 874.6718 19.95 291.2296 360.2260 287.3737 377.2848 293.3268 263.6080 19.95_993.6306m/z 993.6306 19.95 2556.1875 2630.4424 2462.3714 2694.3607 2775.6869 2797.1593 19.96_971.6491m/z 971.6491 19.96 213.5742 242.7415 245.7636 259.4214 210.4929 185.6484 19.97_555.4394m/z 555.4394 19.97 307.2450 400.8635 362.3134 397.6729 380.7624 383.4487 19.97_894.6596m/z 894.6596 19.97 4464.4790 4905.7390 5088.6339 4855.7896 4761.7120 4938.0935 19.97_962.6403m/z 962.6403 19.97 173.0266 175.7485 177.1024 206.9629 144.5222 199.3283 19.98_744.5862m/z 744.5862 19.98 442.1315 424.2735 333.4594 421.9887 422.5502 404.4798 19.99_678.6059m/z 678.6059 19.99 353.4659 541.0318 402.1400 599.8563 557.9676 491.2089 2.03_216.0341m/z 216.0341 2.03 109.1389 116.2799 115.3147 113.0850 104.6713 107.8369 2.17_580.2704m/z 580.2704 2.17 111.7507 103.3120 72.3672 108.5911 104.2012 111.2017 2.18_335.0478m/z 335.0478 2.18 196.2148 195.0530 163.7170 167.2269 187.5794 171.4007 2.18_558.2891m/z 558.2891 2.18 499.2149 510.9308 481.6291 499.1021 503.2235 535.7266 2.19_136.9828m/z 136.9828 2.19 30.4925 17.2159 28.3755 24.6283 18.1445 7.4580 2.22_645.2808m/z 645.2808 2.22 45.8190 71.8071 57.2610 56.8818 69.6777 58.4525 2.24_103.0404m/z 103.0404 2.24 383.9105 357.2492 373.3616 351.7464 373.5620 380.4990 C4H8O3 Alpha-Hydroxyisobutyric acid 2-hydroxyisobutyric acid HMDB00729 MEDIUM 2.24_186.9938m/z 186.9938 2.24 275.4828 250.6805 240.0963 212.7506 240.9040 233.2132 2.24_229.0695m/z 229.0695 2.24 680.2079 592.4445 657.5387 613.7264 625.5975 678.4460 2.24_232.9980m/z 232.9980 2.24 1093.9611 1025.1288 1094.8198 1010.8416 1052.8005 1097.8102 C8H5F3N2OS Riluzole 138898 MEDIUM 2.24_470.0237m/z 470.0237 2.24 93.6969 89.2646 73.6761 62.8617 117.3057 74.3508 2.24_473.9522m/z 473.9522 2.24 169.1154 137.5032 131.0071 137.6342 159.6389 150.8681 2.30_335.0462m/z 335.0462 2.30 170.8138 168.8016 144.3207 141.7655 187.8913 147.0245 2.34_353.0028m/z 353.0028 2.34 157.6177 154.5864 134.7673 133.9693 142.1022 134.0745 2.36_849.4704m/z 849.4704 2.36 336.7790 336.7446 316.1572 331.9901 331.0098 348.1776 2.37_489.2676m/z 489.2676 2.37 83.8965 74.4277 96.8014 91.4393 77.2633 88.1829 2.39_136.9838m/z 136.9838 2.39 49.9604 38.4652 48.5844 46.5065 53.7134 47.2630 2.56_353.0023m/z 353.0023 2.56 237.8500 231.4869 203.7318 224.6589 252.7680 201.9446 2.57_335.0477m/z 335.0477 2.57 151.2820 138.6111 135.9913 130.6501 157.7667 123.3987 2.60_672.8196m/z 672.8196 2.60 27.9547 54.2156 81.2911 70.1024 48.4509 79.4251 2.65_351.0136m/z 351.0136 2.65 107.0858 113.2131 99.0275 105.8014 129.5406 100.0989 2.66_528.1950m/z 528.1950 2.66 237.7108 247.3484 242.1361 250.6999 233.5592 245.5563 2.69_601.3315m/z 601.3315 2.69 466.1106 458.2882 437.6361 442.8391 423.0505 469.1371 2.75_594.7714m/z 594.7714 2.75 208.6865 196.5730 230.3792 231.2149 213.2178 229.7365 2.75_595.2718m/z 595.2718 2.75 155.8620 162.3751 175.7093 144.1939 151.6168 155.6227 2.76_180.9131m/z 180.9131 2.76 51.9864 25.0047 37.4012 20.3857 25.0551 22.3802 2.76_204.9817m/z 204.9817 2.76 434.6207 408.0305 443.3525 458.9657 400.4936 460.2466 2.81_463.2321m/z 463.2321 2.81 422.9482 448.8249 457.4758 499.2615 450.5460 476.8487 2.86_911.8885m/z 911.8885 2.86 1961.7356 1862.9529 1907.8134 1882.1462 1839.7984 1897.9055 2.86_912.3899m/z 912.3899 2.86 1322.8700 1244.2591 1346.0819 1265.5416 1239.2002 1337.3420 2.86_922.8799m/z 922.8799 2.86 685.3953 634.2427 618.0345 637.7010 578.7569 658.1944 2.86_923.3809m/z 923.3809 2.86 439.5132 418.1834 419.7264 387.3493 387.4015 412.3264 2.86_933.8687m/z 933.8687 2.86 190.9974 195.3398 179.3543 193.0279 176.1145 169.9783 2.89_115.0405m/z 115.0405 2.89 236.8007 201.4867 230.0083 206.1308 231.2305 214.1413 C5H8O3 2-Oxovaleric acid HMDB01865 MEDIUM 2.89_244.9987m/z 244.9987 2.89 438.8024 435.6015 430.1941 439.3938 436.2317 484.7437 2.89_253.0702m/z 253.0702 2.89 191.9257 158.3677 194.9535 173.9120 195.0966 175.6074 C12H16O7 Arbutin Arbutin HMDB29943 HIGH 2.89_300.0059m/z 300.0059 2.89 945.6055 926.4767 804.0906 841.6912 964.5102 806.1777 2.89_456.2589m/z 456.2589 2.89 3207.6711 3237.1786 3321.1031 3215.7035 3355.0412 3488.8853 2.89_524.2464m/z 524.2464 2.89 259.1098 240.9606 263.3470 252.1083 252.7900 259.9840 2.89_594.2865m/z 594.2865 2.89 127.2308 109.4306 137.0297 125.0583 118.4607 128.3284 2.89_812.3544m/z 812.3544 2.89 112.2960 113.7495 124.0624 98.9976 115.4484 106.7374 2.90_315.0416m/z 315.0416 2.90 160.6447 170.7208 154.4000 147.8020 180.7001 157.5220 2.91_256.0147m/z 256.0147 2.91 52.4582 49.1173 34.1841 36.6889 52.6668 24.0955 2.91_342.0007m/z 342.0007 2.91 422.9570 395.0136 338.5526 373.2973 413.8413 341.4528 C16H12CoF2N2O2 Bis(3-fluorosalicylaldehyde)-ethylenediimine-cobalt MEDIUM 2.91_367.0044m/z 367.0044 2.91 305.0811 287.3291 187.3517 224.2394 303.4872 179.2591 2.94_851.8677m/z 851.8677 2.94 185.8024 157.6420 216.7755 164.2907 156.7307 174.9077 2.97_512.7379m/z 512.7379 2.97 103.7057 99.0155 111.5625 95.6390 123.6978 127.8729 2.98_512.2360m/z 512.2360 2.98 251.1280 258.8009 260.3650 252.1226 267.7845 304.4752 2.98_833.8376m/z 833.8376 2.98 611.3378 609.0257 621.8955 588.5721 578.1725 639.7921 2.98_834.3372m/z 834.3372 2.98 385.6232 383.0665 412.4713 381.4946 393.2223 402.9654 2.98_844.8280m/z 844.8280 2.98 184.5052 207.3025 203.9236 180.6381 193.8559 215.2351 2.98_845.3299m/z 845.3299 2.98 105.7258 105.3279 110.6112 114.3872 101.5795 109.1839 20.00_299.2567m/z 299.2567 20.00 326.4010 339.2184 370.3580 333.3924 357.1706 357.0485 20.00_755.5052m/z 755.5052 20.00 744.2144 933.6082 742.1058 935.6405 835.0725 817.7773 20.00_929.3723m/z 929.3723 20.00 129.0807 156.2184 100.6141 165.9506 116.5281 124.1176 20.01_765.5586m/z 765.5586 20.01 922.2963 1161.5968 873.9947 1192.9757 1249.2474 1287.0582 20.01_767.5398m/z 767.5398 20.01 1337.0639 1568.1374 1325.6721 1633.7176 1590.2549 1450.0802 20.01_781.5085m/z 781.5085 20.01 615.9997 755.7527 613.7560 831.6942 711.2617 753.7727 20.01_921.3442m/z 921.3442 20.01 8113.7597 8762.0309 7921.9647 8397.8964 7599.8007 7477.5908 20.02_665.5332m/z 665.5332 20.02 1841.2874 2228.3841 1948.2511 2248.0894 2148.2333 1994.7735 20.02_729.5047m/z 729.5047 20.02 135.8510 178.8511 135.4674 163.8154 178.2168 122.3088 20.02_753.5138m/z 753.5138 20.02 462.5957 538.1099 456.3527 582.2767 536.4034 518.8121 20.02_907.3199m/z 907.3199 20.02 9206.1768 9122.7846 9082.3768 8533.9378 8135.3498 7943.7236 20.02_919.3437m/z 919.3437 20.02 4398.9041 4614.0482 4363.4378 4547.2775 4210.0145 4099.3678 20.02_931.3441m/z 931.3441 20.02 447.5714 436.9819 356.4711 366.8137 332.7287 332.3408 20.02_935.3163m/z 935.3163 20.02 1080.8641 1081.9654 990.5143 961.3386 897.8503 999.1918 20.03_655.5050m/z 655.5050 20.03 1807.2753 2264.8995 1891.6298 2361.5324 2232.3742 2120.6662 20.03_909.3180m/z 909.3180 20.03 19521.6926 19450.1826 18841.2886 18100.1476 16778.1362 16765.8113 20.03_911.3164m/z 911.3164 20.03 22532.0089 22594.7455 21964.8714 21030.8567 19503.9122 19620.2823 20.03_913.3147m/z 913.3147 20.03 26652.7080 26680.7409 26165.3108 25328.5138 23254.2739 23134.8985 20.03_933.3214m/z 933.3214 20.03 602.4722 568.7800 544.0101 519.0522 528.5159 526.3436 20.04_823.6579m/z 823.6579 20.04 778.4006 818.9440 819.1690 807.5364 800.6143 768.5943 20.05_201.0092m/z 201.0092 20.05 54.4532 46.2902 51.6431 19.9063 38.1688 34.7943 20.06_332.8744m/z 332.8744 20.06 1065.1351 1130.3840 1113.1106 1072.8851 1050.8293 1161.6128 20.08_258.8825m/z 258.8825 20.08 3295.8656 3088.0125 3428.1435 3020.9238 3016.2784 3197.5723 20.08_518.8370m/z 518.8370 20.08 1604.0538 1521.9006 1680.2326 1352.5892 1460.2534 1564.6814 20.09_142.8695m/z 142.8695 20.09 100.8994 99.4347 104.9166 87.8046 100.1726 99.6463 20.09_320.8085m/z 320.8085 20.09 26631.9266 24503.6943 27282.9598 23800.2088 23961.0737 25500.3080 20.09_322.7987m/z 322.7987 20.09 33555.2502 30869.1619 34285.5407 30109.4433 30336.0775 32233.9519 20.10_599.3181m/z 599.3181 20.10 8924.6354 10123.7617 7904.7662 10267.7606 9973.5487 8963.8948 20.10_811.6655m/z 811.6655 20.10 1525.0763 1637.5991 1465.3932 1627.5130 1476.6507 1441.7462 20.10_871.6830m/z 871.6830 20.10 8009.2780 8268.4827 7569.7373 8695.4394 8262.2487 7916.5738 20.10_939.6789m/z 939.6789 20.10 470.8085 725.6610 722.3425 713.6772 693.7551 618.6559 20.12_153.0130m/z 153.0130 20.12 92.5494 87.7134 97.6351 90.2413 92.7716 91.0158 20.12_323.2177m/z 323.2177 20.12 125.8228 134.4411 127.4058 129.0199 130.2791 131.2624 20.12_374.8836m/z 374.8836 20.12 642.6562 621.5257 692.8790 605.8164 632.7228 684.4281 20.12_901.6662m/z 901.6662 20.12 104.5250 128.0610 79.4715 114.8165 94.1186 189.3910 20.13_304.8691m/z 304.8691 20.13 1462.2856 1381.1482 1521.9243 1385.3317 1369.3484 1482.0201 20.14_230.9504m/z 230.9504 20.14 436.3611 408.0921 439.3492 430.7587 422.7917 486.1745 20.14_773.6530m/z 773.6530 20.14 974.9444 972.8413 920.8343 965.3785 896.0810 968.1694 20.15_201.0094m/z 201.0094 20.15 34.9433 24.8172 30.3170 32.5724 18.1437 34.1785 20.17_743.5793m/z 743.5793 20.17 418.1484 444.6579 407.6640 468.0655 436.9905 396.2907 20.18_899.3131m/z 899.3131 20.18 116.3878 74.8257 61.8206 84.3433 68.8708 51.5681 20.20_668.5741m/z 668.5741 20.20 212.9965 412.7992 228.2230 501.4811 431.0929 323.6814 20.20_678.6032m/z 678.6032 20.20 761.7630 1001.1257 805.1589 1010.7427 982.2728 876.7831 20.20_835.6369m/z 835.6369 20.20 7059.8953 7405.1585 6970.2723 8096.3657 8088.5692 7554.8029 20.20_845.6740m/z 845.6740 20.20 33800.0848 36697.5423 31768.0267 36187.6779 34797.9199 30733.8439 20.20_903.6386m/z 903.6386 20.20 780.7305 927.5280 951.3997 952.8729 944.5740 801.3498 20.20_927.6644m/z 927.6644 20.20 639.2740 610.4894 613.8945 772.7494 770.0889 690.6847 20.20_975.6223m/z 975.6223 20.20 479.0792 454.5318 363.3605 523.6763 414.6125 462.0832 20.20_991.5679m/z 991.5679 20.20 2977.0644 3282.8878 3049.2088 3562.1043 3703.1592 3511.6228 20.21_764.5475m/z 764.5475 20.21 319.4093 422.5148 299.8639 445.5494 543.7904 500.0619 20.21_785.6530m/z 785.6530 20.21 11452.5827 12397.0340 10817.4792 11948.2674 11367.2391 10523.2627 20.21_799.6662m/z 799.6662 20.21 1462.8823 1453.8834 1432.3617 1481.7733 1362.6113 1385.7325 20.21_913.6589m/z 913.6589 20.21 2806.6233 3415.9063 3160.1935 3207.0281 3134.7470 3627.8260 20.21_989.5846m/z 989.5846 20.21 1777.8974 1860.3058 1652.1775 1836.5758 1834.3779 1690.6733 20.23_859.6868m/z 859.6868 20.23 3617.8117 3819.7966 3428.3662 3746.7736 3137.0815 3125.5930 20.23_981.6298m/z 981.6298 20.23 2207.0790 2433.8231 2088.2526 2311.1191 2183.9528 1996.6441 20.24_282.7784m/z 282.7784 20.24 746.8764 702.6590 722.8234 694.3598 670.2011 742.9980 20.28_538.8993m/z 538.8993 20.28 326.6900 356.6330 372.8301 355.3792 316.4055 330.2690 20.28_647.7807n 628.7629 20.28 5644.1464 5199.9752 5890.7385 5219.0001 5139.0648 5377.3644 20.29_920.6730m/z 920.6730 20.29 5277.5724 5624.7324 5378.6754 5417.9676 5258.9386 5536.1970 20.30_479.7852m/z 479.7852 20.30 17206.9362 16304.5599 18046.3286 15961.9840 16230.5675 17220.1791 20.32_306.8713m/z 306.8713 20.32 632.5270 576.7446 625.7207 594.4027 562.2532 614.4293 20.33_750.5608m/z 750.5608 20.33 466.5729 549.5046 541.3845 410.5309 389.1941 441.8708 20.33_968.7011m/z 968.7011 20.33 541.3640 447.2411 396.1822 355.8714 304.8823 306.3522 20.34_423.4191m/z 423.4191 20.34 134.6330 135.5010 117.9519 130.0447 144.0113 129.7080 20.34_942.6574m/z 942.6574 20.34 1048.7995 1105.4838 1148.3646 1202.5341 1253.1167 1054.5263 20.35_810.6770m/z 810.6770 20.35 3915.4171 4107.8275 4068.2897 4140.6268 3963.1199 3839.0870 20.35_856.6877m/z 856.6877 20.35 2359.8695 2678.2349 2385.3399 2754.3573 2764.0621 2183.1941 20.35_910.6399m/z 910.6399 20.35 812.6486 825.4930 791.7541 869.9398 1402.1556 1456.3486 20.36_873.6815m/z 873.6815 20.36 1087.2271 1114.8357 1066.6875 1088.0805 1129.7889 996.7127 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5302.0871 20.77_534.9940m/z 534.9940 20.77 1961.2647 2382.6921 2340.3384 2337.4679 2366.1862 2455.2655 20.77_576.7958m/z 576.7958 20.77 4247.8752 4174.5433 4508.5979 3967.1263 4037.1521 4178.8400 20.77_608.7652m/z 608.7652 20.77 2119.5884 2036.2647 2253.2300 2037.7112 2073.2836 2052.9214 20.77_632.7474m/z 632.7474 20.77 2406.3533 2249.2491 2535.4203 2141.1191 2220.9905 2250.3483 20.77_664.7567m/z 664.7567 20.77 1255.3967 1095.6753 1207.1785 1053.4276 1120.1100 1084.4009 20.77_736.7194m/z 736.7194 20.77 638.9711 596.6141 698.8102 606.0629 579.4001 602.0031 20.78_234.7901m/z 234.7901 20.78 539.1005 526.3785 566.8495 525.3018 497.0970 549.6327 I2 Iodine 17606 MEDIUM 20.78_410.8803m/z 410.8803 20.78 1989.2529 1903.5251 2061.3957 1901.3537 2017.5787 2038.6246 20.78_419.1271m/z 419.1271 20.78 73.0661 87.1140 99.4148 103.0196 89.1525 87.1658 20.78_421.7662m/z 421.7662 20.78 1749.2734 1692.3103 1921.7449 1693.8753 1825.5268 1857.7414 20.78_561.0377m/z 561.0377 20.78 483.2063 546.8199 582.3652 513.5688 581.4435 543.1463 20.78_636.7443m/z 636.7443 20.78 777.0922 732.8365 815.4665 677.9975 792.8998 792.8061 20.78_719.7055m/z 719.7055 20.78 121.9552 153.6195 162.7955 91.8940 96.4536 139.4826 20.78_724.7258m/z 724.7258 20.78 576.4208 530.4011 667.6520 502.2134 526.0834 505.6905 20.79_102.9125m/z 102.9125 20.79 329.6990 309.6132 347.6828 295.4757 328.6708 321.2005 20.79_164.9306m/z 164.9306 20.79 693.7993 616.4007 688.4981 610.4772 674.3096 666.3310 20.79_312.8251m/z 312.8251 20.79 1981.1127 1891.4838 2105.5337 1873.4244 1994.5537 2029.1142 20.79_371.8713n 370.8797 20.79 4285.0186 4276.8100 4584.7668 4153.7977 4390.9179 4439.9442 20.79_403.1232m/z 403.1232 20.79 72.8952 87.8507 121.9853 98.1931 98.1769 110.8219 20.79_531.0371m/z 531.0371 20.79 301.8490 312.4942 282.0271 350.0981 347.2978 345.6873 20.79_722.7421m/z 722.7421 20.79 775.1992 729.5120 838.9173 699.4007 677.3309 775.0643 20.79_749.5944m/z 749.5944 20.79 1123.3201 1129.9335 1241.7599 1068.1933 1076.0228 1134.3497 20.80_136.8719m/z 136.8719 20.80 19519.5070 18890.7795 20638.0215 18872.0211 19454.6281 20390.6121 20.80_401.1259m/z 401.1259 20.80 191.6766 194.9194 207.6442 193.1239 197.1013 212.9120 20.80_421.1255m/z 421.1255 20.80 63.6657 74.9946 91.3786 62.5027 72.8801 70.4395 20.80_524.8021m/z 524.8021 20.80 2261.0911 2196.0886 2421.0542 2144.9531 2169.1539 2261.3694 20.80_787.6745m/z 787.6745 20.80 811.7409 745.0894 911.4688 752.7618 756.8547 683.4736 20.81_339.8366m/z 339.8366 20.81 1891.1817 1815.7562 2005.5007 1804.0369 1949.9257 1890.4861 20.81_400.8762m/z 400.8762 20.81 1890.3467 1804.3973 1991.9031 1770.5252 1895.3753 1930.4341 20.81_412.8773m/z 412.8773 20.81 2279.9531 2240.8163 2448.0647 2200.3261 2303.3287 2336.3154 20.81_682.7134m/z 682.7134 20.81 758.8064 704.3907 722.8475 644.8383 706.4530 649.8315 20.81_885.3210m/z 885.3210 20.81 259.6294 313.2270 245.4722 291.7743 198.5700 202.6222 20.81_887.3177m/z 887.3177 20.81 287.1213 387.5212 270.3582 357.6500 403.4171 344.2707 20.81_889.3125m/z 889.3125 20.81 209.9053 309.9289 188.0063 297.4326 305.8807 248.5407 20.83_221.9464m/z 221.9464 20.83 1112.8746 1077.7575 1197.4741 1096.6015 1101.6512 1140.3733 20.83_292.8679m/z 292.8679 20.83 531.2128 467.0891 527.2806 433.6417 504.3154 450.8746 20.83_337.1912m/z 337.1912 20.83 92.0154 108.2310 130.1287 119.2920 120.3753 120.5282 20.83_387.8827n 386.8628 20.83 7564.6305 7396.4280 7992.7094 7262.8074 7398.0626 7804.4303 20.83_390.8291m/z 390.8291 20.83 2405.2796 2299.5275 2558.4497 2292.2666 2326.7735 2382.2146 20.83_416.8496m/z 416.8496 20.83 2682.5176 2554.2677 2846.9186 2521.8897 2683.3799 2764.8182 20.83_473.2816m/z 473.2816 20.83 4982.6761 7215.5298 6112.1921 8708.6539 8597.6483 9019.3810 20.83_806.6569m/z 806.6569 20.83 783.1006 745.9193 798.3876 664.7106 696.8948 783.4497 20.83_940.6223m/z 940.6223 20.83 607.1760 617.4686 795.6242 737.2925 747.6874 704.5050 20.84_212.9928m/z 212.9928 20.84 455.7334 435.8641 495.4995 434.3401 428.7773 446.3153 20.84_268.7503m/z 268.7503 20.84 259.9875 293.0366 318.8447 255.4443 292.9360 291.2055 20.84_367.8594n 348.8416 20.84 10784.8282 10441.2895 11426.1185 10254.8279 10478.8487 10980.2986 20.84_372.8563m/z 372.8563 20.84 2433.2865 2354.8797 2524.9298 2330.3632 2407.3961 2432.9612 20.84_428.8443m/z 428.8443 20.84 2682.6359 2595.4394 2916.0803 2597.5174 2686.2631 2822.4937 20.85_255.9653m/z 255.9653 20.85 56.5739 59.6247 79.2099 61.6258 54.5565 43.3739 20.85_268.9388m/z 268.9388 20.85 911.4473 843.5275 912.2525 806.2127 892.5114 839.3961 20.85_305.8262m/z 305.8262 20.85 263.4589 215.9985 225.1720 187.1294 255.1051 201.4189 20.85_309.1641m/z 309.1641 20.85 38.8129 57.6821 76.1461 41.1596 61.3745 71.7336 20.85_351.2257m/z 351.2257 20.85 113.1534 110.0937 122.9638 111.2891 108.5891 115.4922 20.85_389.0981m/z 389.0981 20.85 259.8939 302.7867 357.8022 346.8880 356.2562 379.0166 20.85_393.2378m/z 393.2378 20.85 175.6292 158.0482 163.6997 156.6482 183.5563 168.1095 20.85_417.1279m/z 417.1279 20.85 98.0439 110.9275 124.5858 105.2567 141.6397 122.2618 20.85_497.7332m/z 497.7332 20.85 4329.9878 4262.4816 4731.2884 4141.3460 4371.4501 4488.6228 20.85_705.5050m/z 705.5050 20.85 204.4615 314.3849 219.8316 341.9584 363.8035 316.0608 20.85_731.5060m/z 731.5060 20.85 158.6335 208.3494 124.4592 190.9715 262.5181 198.7996 20.85_97.0052m/z 97.0052 20.85 702.0184 686.8589 744.0605 698.0571 715.1574 721.5598 20.85_990.6081m/z 990.6081 20.85 479.5192 568.4081 488.6860 580.5632 662.8243 586.5805 20.86_110.9843m/z 110.9843 20.86 3144.4777 3081.3085 3228.8041 3002.7385 3146.0612 3260.1460 20.86_113.0001m/z 113.0001 20.86 3274.4788 3188.5306 3465.3970 3253.1366 3339.2985 3498.7867 20.86_154.9740m/z 154.9740 20.86 9473.2992 9237.4003 9854.4189 9353.5127 9608.3670 9973.5967 20.86_185.9465m/z 185.9465 20.86 80.4606 83.6497 94.1434 77.6808 74.3421 86.4345 20.86_197.9024m/z 197.9024 20.86 377.2635 355.5433 390.2847 355.4234 359.0178 360.5812 20.86_365.2097m/z 365.2097 20.86 550.9024 525.9201 572.0850 528.1022 608.6890 824.5458 20.86_374.8630m/z 374.8630 20.86 2699.1408 2620.1519 2869.4580 2561.7049 2629.8466 2806.4752 20.86_391.2138m/z 391.2138 20.86 153.0017 148.3123 158.4193 159.5331 148.0409 186.8962 20.86_438.7886m/z 438.7886 20.86 653.3657 609.1900 671.7194 594.4166 630.9686 638.8513 20.86_455.2562m/z 455.2562 20.86 24.3455 32.5237 49.1984 31.2029 33.4449 34.4003 20.86_80.9750m/z 80.9750 20.86 217.1096 207.3017 223.2031 208.1046 224.6139 224.8519 C2H2FNaO2 Sodium fluoroacetate 38699 MEDIUM 20.86_82.9903m/z 82.9903 20.86 297.4680 304.4842 316.5440 298.9595 303.7949 309.1355 20.86_84.9856m/z 84.9856 20.86 120.1234 114.9676 120.6877 111.1267 127.1031 120.8778 20.86_859.6889m/z 859.6889 20.86 7064.6210 8613.6495 6735.4995 8940.5536 8447.1469 6510.6802 20.86_927.6534m/z 927.6534 20.86 645.5473 746.7541 700.3889 765.7920 780.9250 829.0341 20.86_98.9845m/z 98.9845 20.86 132.3437 126.7670 136.4770 118.5405 119.1404 130.1128 20.86_995.5548m/z 995.5548 20.86 1451.9928 1820.6136 1525.4732 1938.0510 2096.6079 1782.8476 20.87_128.9746m/z 128.9746 20.87 679.7859 663.6293 701.8263 639.7884 666.8177 690.2230 20.87_139.0349m/z 139.0349 20.87 130.0930 131.1464 179.1471 124.5639 147.4745 156.0904 20.87_142.9485m/z 142.9485 20.87 390.5348 379.2528 413.5633 372.0895 396.1500 400.0554 20.87_162.9782m/z 162.9782 20.87 426.5702 443.5482 510.8586 456.4952 432.0160 482.1976 20.87_172.9675m/z 172.9675 20.87 895.1659 870.1925 935.3270 857.8163 859.4946 865.8469 20.87_176.9648m/z 176.9648 20.87 582.1831 556.8854 577.3995 522.4543 532.2011 571.7436 20.87_206.8846m/z 206.8846 20.87 61.1683 52.7829 63.2851 50.3602 71.8168 50.8980 20.87_226.8666m/z 226.8666 20.87 93.6430 71.2862 93.7175 83.0200 75.1694 75.5874 20.87_237.9851n 218.9672 20.87 1294.4580 1364.6965 1430.0832 1302.5770 1260.8156 1404.7754 20.87_799.6680m/z 799.6680 20.87 4314.9782 5014.9835 4264.6676 4967.0707 4813.8051 3996.9523 20.87_95.0092m/z 95.0092 20.87 106.8108 101.6594 113.9802 105.5723 110.6932 115.3254 H4N2O4 Hydroxylammonium nitrate MEDIUM 20.87_993.5583m/z 993.5583 20.87 772.5756 806.7010 727.3654 833.9130 1030.8296 944.3685 20.88_125.0198m/z 125.0198 20.88 774.2133 753.6480 807.1118 750.3342 759.2932 791.1138 20.88_136.9833m/z 136.9833 20.88 2128.5316 2037.8222 2196.2299 2048.2065 2050.7973 2172.9121 20.88_166.9939m/z 166.9939 20.88 3398.5181 3336.2188 3596.6251 3233.9865 3386.2657 3600.4181 C3H2F6O Desflurane 4445 MEDIUM 20.88_171.9958n 152.9780 20.88 2238.6377 2219.9900 2410.9168 2229.8331 2216.0710 2333.8401 20.88_180.9732m/z 180.9732 20.88 5882.6771 5648.5385 6086.5405 5741.7305 5865.6023 6017.3541 20.88_188.9901m/z 188.9901 20.88 951.8366 952.4540 1036.6459 894.6307 977.5795 1029.5155 20.88_202.9681m/z 202.9681 20.88 1057.6321 980.6611 1070.9497 974.7406 1007.7063 1061.7730 20.88_239.9166m/z 239.9166 20.88 51.5907 50.9233 67.5227 42.9654 56.4488 60.4717 20.88_250.8677m/z 250.8677 20.88 936.7601 920.9077 1023.2485 913.3076 912.0666 981.7748 20.88_360.8450m/z 360.8450 20.88 2576.1597 2545.7392 2778.9020 2451.7159 2544.7715 2597.4295 20.88_61.9896m/z 61.9896 20.88 47.1306 44.3602 45.2339 41.7465 51.4476 45.7292 20.88_92.9942m/z 92.9942 20.88 178.6978 159.3196 177.4021 168.6695 180.1741 178.1609 20.88_967.6525m/z 967.6525 20.88 576.0207 600.7395 498.9296 649.3039 680.1920 595.6111 20.88_983.5395m/z 983.5395 20.88 289.1354 348.7305 304.6799 310.9813 428.5904 347.3427 20.88_985.5360m/z 985.5360 20.88 457.1765 497.8242 468.6125 543.2952 584.2743 499.4614 20.89_108.9891m/z 108.9891 20.89 337.3203 326.3582 377.6135 314.6069 327.3545 350.8912 20.89_216.9487m/z 216.9487 20.89 1363.5926 1325.8793 1446.5211 1334.4152 1337.6939 1360.2190 20.89_228.9678m/z 228.9678 20.89 1542.3537 1501.3521 1623.7687 1485.8859 1506.5230 1609.8781 20.89_254.8623m/z 254.8623 20.89 105.3277 98.9120 116.9143 113.9596 99.8688 115.6080 20.89_363.2112m/z 363.2112 20.89 123.1220 119.4477 141.2736 136.5081 139.6842 112.0444 20.89_876.6707m/z 876.6707 20.89 702.5578 719.0723 763.2553 747.0161 635.7049 691.1501 20.89_987.5426m/z 987.5426 20.89 702.2781 796.8211 745.7275 918.0898 968.0131 898.2508 20.90_150.9761m/z 150.9761 20.90 241.3273 216.0506 233.7599 204.1659 219.8937 229.8746 20.90_170.8329m/z 170.8329 20.90 81071.0742 78850.4287 86110.1574 79958.1457 82158.6798 86989.1744 20.90_172.8306m/z 172.8306 20.90 65513.6883 64149.4218 69853.1763 64873.5150 66802.2250 70551.1498 20.90_174.8284m/z 174.8284 20.90 28040.4852 27587.9164 30023.1730 27858.2804 28560.0426 30134.9851 20.90_214.7831m/z 214.7831 20.90 175.4060 150.6588 157.1878 156.2569 173.5953 173.3660 20.90_214.9515m/z 214.9515 20.90 650.9569 577.9357 620.4288 565.2076 618.4352 608.5456 20.91_149.0032m/z 149.0032 20.91 350.2526 315.7071 328.0319 304.4022 347.8865 314.2465 20.91_216.7800m/z 216.7800 20.91 158.0293 142.3902 144.0843 144.2113 160.7114 160.5629 20.91_244.9426m/z 244.9426 20.91 740.9048 735.2747 756.2070 663.3740 726.8542 734.9552 20.91_851.6566m/z 851.6566 20.91 1588.9920 1817.4094 1558.5096 1785.7233 1708.0428 1554.6586 20.92_128.8776m/z 128.8776 20.92 501.7265 549.8283 549.9642 503.7839 496.7983 536.3926 20.92_134.9878m/z 134.9878 20.92 155.5412 132.1069 146.1533 139.9692 145.5287 139.0543 20.92_141.8680m/z 141.8680 20.92 1458.8486 1434.4764 1558.9214 1380.3793 1430.7948 1497.9801 20.92_143.8654m/z 143.8654 20.92 1069.7239 1101.5948 1179.1692 1077.7767 1039.9328 1151.8708 20.92_173.8932m/z 173.8932 20.92 139.1626 129.7937 137.1330 114.6152 119.4957 108.9436 20.92_206.9716m/z 206.9716 20.92 2449.8765 2288.4928 2483.0851 2306.2487 2383.3588 2482.9513 20.92_225.8000m/z 225.8000 20.92 154.8679 172.7556 186.3780 170.5509 139.4426 164.7125 20.92_233.8670m/z 233.8670 20.92 192.7384 176.5059 210.7389 185.0963 189.4640 190.2157 20.92_802.5697m/z 802.5697 20.92 593.9956 472.6386 404.7508 422.0148 498.6341 442.2466 20.92_826.5894m/z 826.5894 20.92 339.4338 303.0229 305.0796 306.4276 338.8226 302.7211 20.94_123.8778m/z 123.8778 20.94 88.4070 86.5445 97.1569 82.7487 79.9908 89.4940 20.94_177.8444m/z 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2555.9981 21.12_661.6788n 660.6949 21.12 5322.0447 5368.6320 5339.0560 5098.1010 4936.8901 5309.7917 21.12_670.6359m/z 670.6359 21.12 211.8174 228.0512 212.4114 204.4167 202.9931 218.4683 21.12_687.6302m/z 687.6302 21.12 3072.5483 2958.3610 3156.8408 2841.3380 2925.1363 3082.6852 21.12_747.6480n 728.6302 21.12 3468.8834 3497.7494 3533.3004 3113.4784 3156.3541 3241.6834 21.12_818.5520m/z 818.5520 21.12 640.8220 665.7262 663.7748 610.6854 545.6910 650.2235 21.13_269.9041m/z 269.9041 21.13 997.1083 976.7339 999.0374 914.5806 978.9886 937.4454 21.13_369.8346m/z 369.8346 21.13 2447.5777 2334.7800 2437.2077 2305.7363 2273.4926 2431.2801 21.13_385.8437n 384.8161 21.13 4999.9309 4837.1175 4923.1532 4783.3550 4630.6502 4985.5201 21.13_408.8066m/z 408.8066 21.13 1352.5176 1306.9296 1354.2150 1291.0545 1284.7435 1333.1310 21.13_434.7996m/z 434.7996 21.13 775.8394 767.1865 796.5113 766.1826 749.7410 793.6709 21.13_463.7656m/z 463.7656 21.13 1114.9973 1113.4349 1174.4584 1151.0568 1082.0040 1177.1451 21.13_470.7829n 469.7828 21.13 1744.6132 1755.3127 1774.9388 1746.1908 1612.4811 1855.8828 21.13_512.7290m/z 512.7290 21.13 1055.3763 1046.6959 1039.5383 1048.9084 1021.3014 1104.2609 21.13_542.7506n 541.7091 21.13 5523.2535 5640.5680 5691.0257 5323.8276 5147.7470 5563.0872 21.13_551.7281m/z 551.7281 21.13 1366.2888 1386.1672 1389.7525 1327.5587 1309.7695 1385.2794 21.13_580.6959m/z 580.6959 21.13 1739.2837 1772.6026 1857.0075 1681.3041 1672.9240 1793.7354 21.13_593.7031m/z 593.7031 21.13 2176.6572 2214.7925 2245.1326 2203.4790 2080.2337 2292.6466 21.13_609.6829m/z 609.6829 21.13 1655.0473 1652.2287 1657.6428 1545.5298 1557.7840 1672.2604 21.13_615.6983m/z 615.6983 21.13 1522.4064 1607.3768 1603.5007 1604.9348 1502.9271 1644.0182 21.13_710.6288m/z 710.6288 21.13 984.6984 996.4157 1113.8372 928.5693 876.5662 965.3964 21.13_776.6104n 757.5926 21.13 2424.9379 2442.6236 2495.3153 2228.8623 2255.5824 2221.8689 21.14_162.9531n 161.9243 21.14 1540.3584 1461.3390 1520.3194 1419.5462 1403.6691 1507.8633 21.14_167.9194m/z 167.9194 21.14 1182.4568 1176.3883 1188.1817 1057.2085 1105.1914 1076.5825 21.14_352.8534m/z 352.8534 21.14 6642.0130 6381.7588 6604.8754 6504.6946 6363.6214 6928.1137 21.14_716.6382m/z 716.6382 21.14 262.0689 246.3658 233.0052 252.1192 250.7074 208.8709 21.15_108.9887m/z 108.9887 21.15 642.0383 643.1670 661.6868 601.6081 623.2367 632.1842 21.15_253.9168m/z 253.9168 21.15 253.3684 259.2434 252.6645 259.4312 249.3379 275.5645 21.15_599.7091m/z 599.7091 21.15 1959.4767 1950.5460 1943.1296 1850.5876 1829.1674 1893.2196 21.15_702.6583n 701.6147 21.15 2460.4543 2481.8735 2443.5334 2423.0361 2406.2684 2394.7493 21.16_163.9411m/z 163.9411 21.16 1375.1776 1378.4498 1430.0348 1357.8479 1365.2791 1454.3242 21.16_235.9259m/z 235.9259 21.16 5903.7949 5660.7734 5993.5584 5487.3757 5623.4361 5902.7352 21.16_420.8382m/z 420.8382 21.16 2352.1780 2265.7308 2441.5852 2217.4976 2291.7782 2454.0089 21.18_207.9308m/z 207.9308 21.18 2203.4745 2249.8976 2194.3717 2134.6285 2079.0265 2225.0215 21.18_247.8893m/z 247.8893 21.18 2182.6868 2129.1284 2222.0067 2078.3938 2055.0879 2203.6736 21.18_375.8330m/z 375.8330 21.18 861.5509 832.9205 899.9721 799.1723 882.8705 831.7331 21.19_250.8709m/z 250.8709 21.19 893.5139 830.2561 849.6136 799.1106 848.9457 825.9973 21.20_170.8824m/z 170.8824 21.20 70.6151 83.4872 79.9821 58.1358 74.4097 69.4596 21.21_210.9495m/z 210.9495 21.21 2303.5535 2197.4144 2259.0310 2118.6569 2214.3935 2271.8399 21.21_239.9030m/z 239.9030 21.21 6712.3107 6462.1854 6784.4178 6263.8680 6352.1725 6684.6293 21.25_184.9504m/z 184.9504 21.25 459.0313 458.1178 457.2113 436.9448 416.5203 463.0889 21.37_202.9173m/z 202.9173 21.37 1537.5152 1485.0560 1548.3156 1422.8767 1470.3885 1477.6903 21.38_149.9092m/z 149.9092 21.38 1464.7394 1385.9665 1462.6771 1361.2522 1399.0165 1437.2830 21.44_194.9058m/z 194.9058 21.44 153.5238 138.3474 154.2295 139.6731 139.3357 157.8870 21.69_151.9228m/z 151.9228 21.69 314.1727 305.9548 311.0231 273.2951 299.4645 302.8530 21.86_174.9562m/z 174.9562 21.86 8737.7974 8620.0173 9145.5498 8411.0189 8611.1633 9085.1142 21.97_190.9288m/z 190.9288 21.97 75.0801 66.8116 69.6884 60.4267 71.3259 69.1637 3.00_181.0371m/z 181.0371 3.00 232.6784 240.4669 203.3392 212.7980 223.3392 245.0857 C6H6N4O3 1-Methyluric acid 1-Methyluric acid HMDB03099 HIGH 3.00_257.0786m/z 257.0786 3.00 142.7399 185.1792 167.9776 165.0855 173.8623 178.3733 3.02_246.0082m/z 246.0082 3.02 398.5467 521.7490 516.9623 492.6726 496.3336 549.6373 3.02_326.0890m/z 326.0890 3.02 2804.0208 3355.6657 3490.4798 3206.9721 3243.8774 3370.2867 3.02_348.0707m/z 348.0707 3.02 1034.6425 1114.4287 1151.9658 997.7096 983.1326 1127.1896 3.02_410.0414m/z 410.0414 3.02 181.0126 273.2981 298.1039 267.6799 256.0440 257.8316 3.02_426.0126m/z 426.0126 3.02 60.1279 93.0852 78.4520 75.8158 75.8667 79.3036 3.02_478.0274m/z 478.0274 3.02 77.5714 123.9254 127.4277 117.4918 125.6659 125.8625 3.02_675.1656m/z 675.1656 3.02 86.1172 128.1116 137.5963 100.6559 113.3468 118.5276 3.03_113.0247m/z 113.0247 3.03 128.1918 163.0346 157.2286 147.7849 152.4674 166.9172 C5H8O4 Glutaric acid Glutaric acid HMDB00661 MEDIUM 3.03_175.0252m/z 175.0252 3.03 182.0822 219.8016 235.6769 211.1853 210.3957 213.3637 3.03_416.0579m/z 416.0579 3.03 100.7602 114.2417 114.4431 97.5657 112.8607 117.5092 3.04_365.1361m/z 365.1361 3.04 140.7646 159.8988 169.3893 185.1232 161.7852 152.9716 3.09_227.9973m/z 227.9973 3.09 190.4063 241.6562 262.1310 244.7111 234.3068 291.5006 3.17_353.0001m/z 353.0001 3.17 197.7005 142.3145 133.8714 130.4403 157.6607 125.3887 3.18_245.1140m/z 245.1140 3.18 145.3459 169.5486 174.6960 151.6837 151.3373 151.4067 3.18_310.0006m/z 310.0006 3.18 186.0787 185.1615 184.5808 191.1011 162.2996 216.3423 3.18_335.0476m/z 335.0476 3.18 196.7004 177.6015 171.2400 179.8407 161.3510 157.6648 3.18_425.2149m/z 425.2149 3.18 411.8225 463.3633 456.8521 450.3617 444.3983 490.7347 3.18_427.0402m/z 427.0402 3.18 211.5754 192.0530 200.2716 172.0281 168.6622 191.8334 3.18_428.0615m/z 428.0615 3.18 264.6968 255.9864 267.6581 241.6420 241.2705 260.9507 3.18_500.1244m/z 500.1244 3.18 111.0999 105.5420 147.0648 103.7872 118.0060 112.2610 3.20_300.0032m/z 300.0032 3.20 665.1642 653.3124 569.7422 607.5506 674.0411 602.6598 3.20_385.1034n 384.0779 3.20 470.6668 511.5961 546.6608 517.2694 521.8018 559.3615 3.21_164.0719m/z 164.0719 3.21 5371.4642 5675.6175 5973.3804 5718.8238 5688.5352 6083.1050 C9H11NO2 L-Phenylalanine Phenylalanine 17295 HIGH 3.21_166.0632n 147.0454 3.21 1109.8746 1216.2308 1206.0461 1197.2900 1166.6904 1295.1975 C9H10O3 Ethylparaben MEDIUM 3.21_232.0593m/z 232.0593 3.21 1230.4923 1174.4105 1314.4390 1208.6506 1176.1875 1285.0467 3.21_265.0035m/z 265.0035 3.21 203.1782 189.9092 195.5664 186.3752 180.7971 221.1008 3.21_280.0419m/z 280.0419 3.21 79.5819 67.4170 71.0855 66.2572 67.7355 64.7693 3.21_284.0103m/z 284.0103 3.21 205.0359 175.8175 170.3601 158.9129 133.8167 168.0315 3.21_294.0300m/z 294.0300 3.21 1991.2893 2025.7983 2231.5857 2102.7108 2105.4986 2253.9214 3.21_351.1329m/z 351.1329 3.21 1489.5732 1523.0947 1646.5256 1512.8802 1507.6387 1690.1121 3.21_372.1269n 353.1090 3.21 297.1658 339.7940 363.3101 326.5240 318.3961 387.5722 3.21_399.1150m/z 399.1150 3.21 182.8052 230.4735 244.9421 233.8005 237.5726 251.3238 3.21_413.1033m/z 413.1033 3.21 1351.7407 1522.3772 1651.4370 1555.7741 1558.0540 1694.8482 3.21_419.1149m/z 419.1149 3.21 374.1925 315.6677 325.9293 320.7667 319.2944 359.7042 3.21_429.0681m/z 429.0681 3.21 751.4406 703.2791 764.3549 713.0707 698.6917 754.4814 3.21_432.0195m/z 432.0195 3.21 113.6215 92.6071 109.3664 100.0172 108.5856 125.6888 3.21_437.0705m/z 437.0705 3.21 88.6453 117.3414 130.4833 136.1656 121.8275 128.8869 3.21_439.0650m/z 439.0650 3.21 91.5479 100.0875 115.7454 112.8238 114.5721 152.7517 3.21_445.1193m/z 445.1193 3.21 247.7408 252.6643 273.2304 248.5916 250.3293 278.7816 3.21_481.0909m/z 481.0909 3.21 396.8251 393.8817 438.7642 394.0271 387.6344 434.6166 3.21_487.1027m/z 487.1027 3.21 149.3357 132.8579 175.4635 133.2645 127.8813 138.0278 3.21_497.0613m/z 497.0613 3.21 73.4698 67.2285 76.1791 62.7427 54.4188 63.8880 3.21_518.1872m/z 518.1872 3.21 130.2692 169.9156 146.5186 153.8879 162.7950 174.3488 3.21_532.1766m/z 532.1766 3.21 632.4309 683.7086 765.1923 697.0406 694.1725 784.6030 3.21_547.1414m/z 547.1414 3.21 927.9940 995.6450 1046.5131 985.0837 987.5385 1065.7326 3.21_557.2113n 556.1416 3.21 433.3991 508.3409 572.2027 516.4648 544.8039 569.1081 3.21_564.1932m/z 564.1932 3.21 687.2497 751.6474 749.5617 763.0716 724.9779 769.7838 3.21_593.1440m/z 593.1440 3.21 287.1295 290.0564 317.4546 273.5784 260.8421 271.7685 3.21_600.1639m/z 600.1639 3.21 376.0753 400.6527 460.6089 429.0053 419.0146 436.7199 3.21_662.1336m/z 662.1336 3.21 137.4895 156.6260 167.1261 158.4423 156.5361 168.8506 3.21_668.1486m/z 668.1486 3.21 193.4089 197.9985 214.5299 208.6167 204.7114 218.3398 3.21_683.2674m/z 683.2674 3.21 1371.7920 1476.3628 1604.3284 1522.8209 1441.2595 1625.6065 3.21_712.2210m/z 712.2210 3.21 2096.9940 2405.6984 2432.4488 2405.6050 2342.1080 2556.9923 3.21_787.2229m/z 787.2229 3.21 188.8319 196.2465 186.6130 202.4048 192.7519 184.3045 3.22_222.0309m/z 222.0309 3.22 144.4466 87.9987 89.2084 82.2670 92.9041 85.5407 3.22_254.0410m/z 254.0410 3.22 109.0222 83.7085 108.4312 79.3855 102.8604 92.2465 3.23_263.9828m/z 263.9828 3.23 145.4415 132.7546 137.5781 135.1555 127.4238 145.9147 C7H11NO7P2 Risedronate 183772 MEDIUM 3.23_329.0361m/z 329.0361 3.23 227.6763 234.9392 196.7837 186.4847 221.6472 182.1904 3.23_362.0176m/z 362.0176 3.23 204.1284 213.3305 213.4444 195.0790 196.7156 220.3851 3.23_543.0582m/z 543.0582 3.23 179.2927 179.0411 211.6016 191.3098 185.3740 213.2592 3.24_301.9343m/z 301.9343 3.24 129.7673 73.2785 97.0385 76.7415 85.3618 83.0798 3.24_307.9720m/z 307.9720 3.24 76.9905 65.4300 77.5945 58.7022 80.3952 48.8815 3.24_423.9858m/z 423.9858 3.24 186.0044 169.7904 187.3082 204.3500 189.1900 173.6458 3.26_351.0126m/z 351.0126 3.26 132.2734 124.6815 104.8678 120.8755 118.6427 97.6782 3.28_150.0561m/z 150.0561 3.28 357.4402 358.4359 354.8117 375.6559 371.2179 378.4511 C8H11NO3 Norepinephrine Xi-Norepinephrine 18357 HIGH 3.28_230.0130m/z 230.0130 3.28 4597.3068 4683.3218 4753.5820 4806.6258 4722.2491 4985.5340 3.28_342.0001m/z 342.0001 3.28 906.4083 825.3667 762.2048 765.2862 860.6085 744.5486 C16H12CoF2N2O2 Bis(3-fluorosalicylaldehyde)-ethylenediimine-cobalt MEDIUM 3.29_368.0080m/z 368.0080 3.29 98.4072 84.3121 95.1122 84.6623 98.4178 72.0722 3.29_473.2363m/z 473.2363 3.29 197.3348 222.7351 220.5863 221.2123 240.8417 243.1235 3.30_367.0063m/z 367.0063 3.30 101.8309 68.4798 60.0664 80.9082 69.6542 43.9670 3.30_698.3222m/z 698.3222 3.30 1104.6188 1100.3644 1091.5853 1112.4563 1062.7263 1169.9690 3.31_109.0297m/z 109.0297 3.31 446.7754 450.1743 446.0289 458.5592 431.2067 465.5725 C6H6O2 Hydroquinone Hydroquinone 17594 MEDIUM 3.31_188.9866m/z 188.9866 3.31 3627.6920 3721.0783 3670.9333 3718.7566 3657.8058 3882.7992 3.36_165.0419m/z 165.0419 3.36 332.6237 322.3258 347.5074 327.4637 320.8913 350.5476 C6H6N4O2 7-Methylxanthine 7-Methylxanthine HMDB01991 HIGH 3.37_300.0053m/z 300.0053 3.37 336.6450 331.0054 285.9257 309.0478 361.4535 283.3901 3.42_465.2231n 464.2157 3.42 1235.4289 1211.1921 1258.4991 1221.4732 1220.5412 1252.3833 3.42_486.1982m/z 486.1982 3.42 347.2656 349.3277 352.4918 314.6623 346.4760 345.6063 3.50_300.0051m/z 300.0051 3.50 245.9531 243.2327 208.5096 220.8500 245.6037 186.9591 3.53_844.4175m/z 844.4175 3.53 355.5700 373.3771 348.0392 346.3814 354.7465 356.0244 3.59_342.0005m/z 342.0005 3.59 569.3836 510.4744 473.4018 504.4806 556.9120 452.2247 3.66_295.9577m/z 295.9577 3.66 320.9750 304.6660 308.4931 320.3969 343.8561 326.8988 3.68_417.2349m/z 417.2349 3.68 416.4531 448.5473 459.9112 442.0871 454.5337 474.1664 3.68_439.2167m/z 439.2167 3.68 162.4450 164.7980 161.6224 157.4938 160.1164 168.6251 3.69_300.0049m/z 300.0049 3.69 240.3237 234.2759 188.3251 215.3192 243.4822 203.6340 3.70_471.2932m/z 471.2932 3.70 376.0127 367.3909 389.2888 374.3583 385.9887 380.0869 3.73_853.3210m/z 853.3210 3.73 255.9150 250.0527 257.6162 263.0081 252.6295 265.0622 3.74_342.0003m/z 342.0003 3.74 209.5820 202.2382 170.7298 172.9717 208.4115 156.3874 C16H12CoF2N2O2 Bis(3-fluorosalicylaldehyde)-ethylenediimine-cobalt MEDIUM 3.77_152.9787m/z 152.9787 3.77 88.6439 78.9547 102.2169 88.1093 77.2046 99.3452 3.82_260.0241m/z 260.0241 3.82 323.5319 326.2733 336.0578 319.4800 329.5759 363.2811 3.82_868.3714m/z 868.3714 3.82 2700.3598 2639.1425 2672.7986 2610.4460 2649.1676 2732.4229 3.82_890.3530m/z 890.3530 3.82 598.4922 612.9519 588.2490 600.1053 583.3471 599.3473 3.82_912.3362m/z 912.3362 3.82 236.0933 242.7862 259.2011 240.1871 235.6886 243.4444 3.86_417.2358m/z 417.2358 3.86 197.7495 222.7340 200.5305 197.3403 192.4637 202.7516 3.86_627.2532m/z 627.2532 3.86 206.2332 217.0068 206.4550 211.8503 205.9342 227.9668 3.87_370.9623m/z 370.9623 3.87 115.9232 109.2883 108.0926 94.1006 102.2546 88.2118 3.88_172.9917m/z 172.9917 3.88 11538.6775 11535.2384 11701.7551 11463.6212 11554.9930 12102.4669 3.88_811.3511m/z 811.3511 3.88 237.3262 233.7719 227.5897 238.8558 247.6077 235.7632 3.88_93.0353m/z 93.0353 3.88 603.0919 578.5430 596.8973 568.8903 579.2145 629.8109 C6H8O2 "(2E,4E)-2,4-Hexadienoic acid" 38358 MEDIUM 3.88_955.4038m/z 955.4038 3.88 254.7202 247.1466 281.2814 257.8023 258.3334 256.1712 3.96_217.0184m/z 217.0184 3.96 119.3829 114.0833 121.5447 119.7630 115.9481 119.1462 3.96_239.9033m/z 239.9033 3.96 440.9082 366.4537 387.0773 373.6252 352.9569 384.1738 3.96_571.2859m/z 571.2859 3.96 2135.3700 2138.0494 2189.2062 2164.5594 2146.9414 2299.6841 3.98_212.0031m/z 212.0031 3.98 123.5302 119.3191 113.5646 118.4177 131.9819 121.5519 C8H7NO4S Indoxyl sulfate Indoxyl sulfate 43355 MEDIUM 3.98_229.1563m/z 229.1563 3.98 199.3482 201.9504 194.9897 210.3983 202.1376 218.5995 4.01_152.9780m/z 152.9780 4.01 68.6513 56.3335 70.9777 60.8110 72.4495 64.2224 4.02_300.0067m/z 300.0067 4.02 143.8138 135.7609 126.7659 121.1707 141.9563 131.4232 4.03_342.0010m/z 342.0010 4.03 226.6664 203.4539 195.1248 204.0040 242.1316 197.5965 C16H12CoF2N2O2 Bis(3-fluorosalicylaldehyde)-ethylenediimine-cobalt MEDIUM 4.04_230.0962m/z 230.0962 4.04 839.4898 807.3095 906.0330 818.9608 788.3950 824.9527 4.04_276.1020m/z 276.1020 4.04 4685.8982 4460.9219 4783.6440 4516.8975 4497.9353 4788.3040 4.04_328.0697m/z 328.0697 4.04 151.0062 152.0861 153.0204 155.6023 131.1501 143.3380 4.04_485.2097m/z 485.2097 4.04 443.2656 406.9031 444.4804 434.1830 354.4836 453.9854 4.04_501.1879m/z 501.1879 4.04 5564.2725 5248.9818 5754.4404 5403.5079 5458.2854 5971.3908 4.04_505.1939m/z 505.1939 4.04 201.9165 216.1289 237.4978 229.2134 198.9491 241.7499 4.04_507.2043m/z 507.2043 4.04 1418.7883 1337.7049 1429.8536 1303.1311 1300.9532 1449.4013 C29H34O9 Territrem B MEDIUM 4.04_517.1554m/z 517.1554 4.04 1220.1281 1111.7404 1240.1719 1180.3612 1130.5206 1236.9731 4.04_526.2344m/z 526.2344 4.04 820.9575 827.2606 874.9546 839.7935 811.1243 932.6803 4.04_533.2040m/z 533.2040 4.04 610.9373 537.0223 632.5849 595.3661 565.4075 608.6736 4.04_558.1641m/z 558.1641 4.04 853.2310 781.2552 829.3834 787.3950 769.5817 820.3067 4.04_689.3389n 670.3211 4.04 14180.5650 13535.5043 14623.1406 13621.2891 13689.7396 14867.9137 4.04_725.2726m/z 725.2726 4.04 1264.7766 1215.3991 1315.8686 1188.1706 1121.7451 1366.0404 4.04_732.2887m/z 732.2887 4.04 967.1693 889.3996 997.6537 904.5063 878.6314 971.4408 4.04_895.4074m/z 895.4074 4.04 8538.4718 8237.8458 8786.0263 8352.9759 8214.9141 8857.2916 4.04_911.3781m/z 911.3781 4.04 1141.7111 952.2169 1100.3592 964.7200 1005.8386 1058.3161 4.04_920.4424n 901.4246 4.04 2574.6241 2527.8456 2707.0609 2536.4996 2397.1701 2772.1037 4.05_439.2178m/z 439.2178 4.05 48230.6218 46679.3233 49499.1075 46950.3929 47239.4351 49876.7184 4.05_455.1855m/z 455.1855 4.05 1489.9886 1453.1797 1506.4565 1471.7564 1447.1243 1554.5538 4.05_472.1612m/z 472.1612 4.05 645.0693 554.3930 650.1881 579.5745 588.9956 695.7065 4.05_480.2166n 461.1988 4.05 917.1311 877.9679 949.4343 901.9718 867.1986 951.0616 4.05_664.3040m/z 664.3040 4.05 25574.0626 24609.7395 26153.8774 24874.9019 25159.5218 26900.4421 4.05_696.3197m/z 696.3197 4.05 912.5025 860.8622 992.2083 887.7006 853.1014 968.0135 4.05_859.4371m/z 859.4371 4.05 2457.4645 2340.3691 2555.6926 2457.2540 2368.4200 2619.5398 4.05_888.3904m/z 888.3904 4.05 9488.0816 8982.1160 9798.1075 9273.3212 8664.5390 10112.5465 4.06_120.0760m/z 120.0760 4.06 6423.7137 6295.3327 6445.6484 6267.3907 6197.8020 6714.4953 4.06_122.0852m/z 122.0852 4.06 220.8632 211.5823 217.8658 210.2749 205.7743 228.8712 4.06_134.0914m/z 134.0914 4.06 160.9324 157.0487 157.9396 159.5099 163.1484 171.8571 4.06_146.0914m/z 146.0914 4.06 3482.8032 3408.7104 3520.9464 3394.9803 3405.5568 3624.8071 4.06_164.1243m/z 164.1243 4.06 3709.6319 3659.3258 3797.8819 3630.5825 3652.6800 3832.8315 4.06_190.0816m/z 190.0816 4.06 1107.0669 1040.4525 1085.1278 1041.0217 1061.5496 1123.7511 4.06_208.1144m/z 208.1144 4.06 223861.8686 219836.4641 227126.0202 220564.1581 220432.7794 231270.6615 C11H7D5N2O2 L-Tryptophan-d5 HIGH 4.06_208.2341m/z 208.2341 4.06 6469.4925 5811.1160 6181.3432 5700.6234 5792.0601 5600.6513 4.06_208.5082m/z 208.5082 4.06 170.0730 164.0503 148.6869 182.1337 145.9581 164.0682 4.06_417.2359m/z 417.2359 4.06 5960.4679 5844.3949 6012.2445 5886.0842 5728.2604 6093.1589 4.06_481.1978m/z 481.1978 4.06 608.5153 647.0844 649.3505 649.2992 610.9766 669.6929 4.06_626.3573m/z 626.3573 4.06 979.9230 965.4470 978.1697 965.1398 980.9957 969.0603 4.06_680.2754m/z 680.2754 4.06 6509.1178 5923.3700 6154.4223 5796.1849 5717.0166 6135.1893 4.06_75.0322m/z 75.0322 4.06 419.1811 419.0711 434.7550 415.4895 403.5717 434.1834 4.06_835.4777m/z 835.4777 4.06 171.8472 174.7335 163.2978 149.4509 167.9565 173.1596 4.06_835.9830m/z 835.9830 4.06 53.6260 69.9388 61.9196 69.5582 76.8009 70.3865 4.06_940.5421m/z 940.5421 4.06 128.9451 106.8137 130.3184 132.4525 125.0049 135.9813 4.07_135.0975m/z 135.0975 4.07 156.8474 151.3798 153.1429 136.0966 146.7264 154.3855 4.07_459.1974m/z 459.1974 4.07 113.4293 134.7107 129.2878 131.8479 99.2259 148.1597 4.07_74.0260m/z 74.0260 4.07 253.2180 232.4409 245.2231 239.7951 245.0075 234.9695 4.07_873.4234m/z 873.4234 4.07 293.1455 261.0810 263.5340 239.6356 255.1654 271.5587 4.07_940.0394m/z 940.0394 4.07 200.1456 212.7589 228.2005 189.5151 202.1064 223.1123 4.07_951.0316m/z 951.0316 4.07 103.4521 104.0093 160.6259 129.9946 122.6845 102.8591 4.07_951.5319m/z 951.5319 4.07 87.3933 99.7888 93.2472 90.5770 72.7433 65.7785 4.08_119.0696m/z 119.0696 4.08 456.3657 431.0779 460.9303 443.8221 445.5347 464.0353 4.08_145.0848m/z 145.0848 4.08 417.0529 392.8736 414.7785 404.1181 402.3278 436.7670 4.08_163.1180m/z 163.1180 4.08 626.6216 596.9125 628.5785 610.6362 615.1751 638.2864 4.08_207.1082m/z 207.1082 4.08 32130.2934 31571.3890 33096.6751 32058.9926 31994.3812 33617.4836 4.08_648.3264m/z 648.3264 4.08 2301.7847 2284.2695 2366.2362 2286.8885 2196.5059 2490.2550 4.09_117.0560m/z 117.0560 4.09 521.7557 523.1393 541.4876 538.6437 515.6028 536.0114 C5H10O3 2-Hydroxy-2-methylbutyric acid 2-hydroxy-2-methyl-butyric acid HMDB01987 MEDIUM 4.09_191.0201m/z 191.0201 4.09 200.6190 180.5626 188.4164 161.6807 189.8288 177.9657 4.10_206.1017m/z 206.1017 4.10 1735.6561 1684.7068 1813.1439 1741.1028 1688.5314 1818.8596 4.10_348.1589m/z 348.1589 4.10 310.0502 288.3744 340.1705 271.9188 286.7553 296.8443 4.10_563.3216m/z 563.3216 4.10 171.0179 165.7305 168.6939 145.7486 171.5099 177.8925 4.10_573.2444m/z 573.2444 4.10 204.8155 200.3598 197.8312 169.2927 172.7674 186.1615 4.10_679.2668m/z 679.2668 4.10 908.3337 767.7454 846.4787 744.0111 819.6161 772.2612 4.10_879.4306m/z 879.4306 4.10 674.0592 750.3320 746.7615 732.8580 654.1463 831.4797 4.11_246.0432m/z 246.0432 4.11 56.6090 41.6483 34.4969 48.2342 52.6270 49.1012 4.11_588.2127m/z 588.2127 4.11 120.8886 104.5741 90.0311 101.7707 82.6834 84.6876 4.11_779.4172m/z 779.4172 4.11 1213.2672 1206.0547 1185.5928 1190.0629 1176.1700 1272.7617 C41H64O14 Digoxin 4551 HIGH 4.11_801.3747m/z 801.3747 4.11 205.8625 185.1355 167.6224 214.9529 163.2526 228.4454 4.11_894.3977m/z 894.3977 4.11 1084.7758 926.7382 1079.7316 952.2701 1071.3999 971.3510 4.13_438.2112m/z 438.2112 4.13 5321.3306 5127.9696 5468.2662 5188.9591 5135.5927 5539.4075 4.13_474.1710m/z 474.1710 4.13 243.2758 198.7288 202.6138 223.0115 177.9080 249.6692 4.13_525.1556m/z 525.1556 4.13 387.5778 353.0942 384.2493 345.0876 363.8126 366.2618 4.14_266.0726m/z 266.0726 4.14 767.5147 722.9488 767.5875 734.9460 706.1510 785.3170 4.14_328.0661m/z 328.0661 4.14 502.2079 425.0264 458.7265 426.6116 452.6384 421.8307 4.14_516.1494m/z 516.1494 4.14 398.4937 332.8976 406.2419 330.7656 381.1774 384.9065 4.14_553.1461m/z 553.1461 4.14 234.0419 237.2567 221.5164 198.8416 211.4797 210.3190 4.14_561.1543m/z 561.1543 4.14 10.6984 18.2751 18.4726 9.6282 17.4368 19.0997 4.14_738.3001m/z 738.3001 4.14 107.0334 99.7113 118.1463 115.1338 113.1042 134.3634 4.14_910.3563m/z 910.3563 4.14 163.8662 107.1553 113.6649 95.4994 114.8090 109.2105 4.14_956.3733m/z 956.3733 4.14 256.0328 197.6247 246.2848 245.2805 185.2366 225.0361 4.15_412.2041m/z 412.2041 4.15 559.0810 464.5602 489.6675 481.8509 511.9918 464.8624 4.15_557.1413m/z 557.1413 4.15 83.9911 67.3643 60.6185 80.7845 73.9990 83.3434 4.15_643.2931m/z 643.2931 4.15 276.2490 278.3926 276.0905 289.4458 255.2598 264.9151 4.15_659.2713m/z 659.2713 4.15 3621.0029 3554.1516 3679.7818 3530.6270 3643.7694 3717.2223 4.15_675.2412m/z 675.2412 4.15 990.2471 903.8594 931.6070 858.3604 910.5863 896.6524 4.15_720.2413m/z 720.2413 4.15 756.0881 659.1933 753.4020 679.4269 727.4420 710.3207 4.15_854.4024m/z 854.4024 4.15 270.4321 232.6227 232.9565 258.5319 277.5990 292.6170 4.15_883.3564m/z 883.3564 4.15 2677.9556 2442.4805 2677.4929 2488.1686 2631.8037 2674.7857 4.15_906.3405m/z 906.3405 4.15 240.5735 207.3218 220.4966 176.7567 175.0647 168.9752 4.15_917.3676m/z 917.3676 4.15 109.9548 98.4973 121.8915 70.6776 62.2248 79.1459 4.16_433.1796m/z 433.1796 4.16 573.6661 529.2771 577.7227 520.8178 585.7099 533.1599 4.16_434.1860m/z 434.1860 4.16 6687.6620 6605.4041 6765.2987 6531.6087 6528.2442 6772.3284 4.16_467.1295m/z 467.1295 4.16 68.0516 73.7173 75.3436 70.0993 71.7411 67.3919 4.16_512.1219m/z 512.1219 4.16 423.3584 416.5497 384.8893 390.6789 384.0179 388.1243 4.16_528.1688m/z 528.1688 4.16 279.6020 239.4012 268.6727 253.2814 232.2051 248.0596 4.16_686.2511m/z 686.2511 4.16 469.2637 408.1192 476.2568 405.6170 487.8692 421.5072 4.16_728.2566m/z 728.2566 4.16 192.1008 186.6039 205.0581 191.4819 169.7280 189.9646 4.16_849.3673m/z 849.3673 4.16 136.1871 148.9622 149.0993 125.2506 97.5657 141.6523 4.16_878.3271m/z 878.3271 4.16 1082.6453 952.8679 1053.5424 929.6467 1074.3278 997.2707 4.17_116.0509m/z 116.0509 4.17 411.5988 414.3670 423.3370 414.9738 406.4912 422.8391 C8H7N Benzeneacetonitrile 25979 MEDIUM 4.17_142.0663m/z 142.0663 4.17 262.6959 268.6466 278.5747 257.4823 265.1217 269.6252 C10H9N 2-Aminonaphthalene 2-aminonaphthalene 27878 MEDIUM 4.17_159.0929m/z 159.0929 4.17 329.4100 344.5977 345.2456 330.2280 321.4288 335.6010 C10H12N2 Tolazoline HMDB14935 HIGH 4.17_203.0827m/z 203.0827 4.17 14560.7144 14771.5574 15066.2960 14753.6733 14557.2855 15260.9009 C11H12N2O2 L-Tryptophan Tryptophan HMDB00929 HIGH 4.17_212.0027m/z 212.0027 4.17 13620.1051 13713.5078 14052.2114 13861.9362 13554.7697 13827.3665 C8H7NO4S Indoxyl sulfate Indoxyl sulfate 43355 MEDIUM 4.17_261.0411m/z 261.0411 4.17 124.7903 113.8481 124.9235 116.3105 105.2023 139.5618 4.17_263.0376m/z 263.0376 4.17 53.7842 52.6618 58.5405 60.8154 63.2404 66.4223 4.17_323.0434m/z 323.0434 4.17 227.4819 204.0635 179.9808 165.4041 196.0046 183.2566 4.17_429.1547m/z 429.1547 4.17 1734.6013 1759.4106 1829.7684 1764.9429 1719.2783 1876.8718 4.17_443.1055m/z 443.1055 4.17 663.3923 686.6539 668.8751 665.5040 668.7687 701.4510 4.17_450.1526m/z 450.1526 4.17 298.6514 315.6860 290.1401 282.7893 274.8917 292.2618 4.17_496.1566m/z 496.1566 4.17 2026.0401 1981.3512 2175.2961 1960.7604 2130.3574 2111.4134 4.17_515.1190m/z 515.1190 4.17 133.9318 112.3344 139.5143 127.1139 139.1003 105.3403 4.17_654.2406m/z 654.2406 4.17 1406.2303 1416.9890 1497.2905 1452.4946 1472.3565 1559.9006 4.17_715.2173m/z 715.2173 4.17 371.1964 427.0131 393.8756 368.1734 310.9400 382.5123 4.17_900.3433m/z 900.3433 4.17 219.1576 140.1785 195.4231 149.3337 206.0786 145.3760 4.18_287.0356m/z 287.0356 4.18 286.4260 293.4357 310.7465 281.4188 284.5678 302.1857 4.18_349.0152m/z 349.0152 4.18 169.1778 139.1159 161.9848 147.9479 154.9645 112.9416 4.18_397.2207m/z 397.2207 4.18 1889.6551 1958.2645 1973.5255 1894.8833 1898.8646 2007.1263 4.18_419.2029m/z 419.2029 4.18 160.0901 176.8688 167.4448 160.7434 151.5142 184.4242 4.18_438.0749m/z 438.0749 4.18 367.4307 383.4758 370.2666 381.3282 355.6628 387.6485 4.18_446.9944m/z 446.9944 4.18 126.8624 127.3187 143.8265 142.9131 142.0275 131.8199 4.18_491.1283m/z 491.1283 4.18 652.4777 628.7749 606.1937 573.5992 629.0264 619.6698 4.18_511.1165m/z 511.1165 4.18 175.6170 177.9485 170.5439 151.7502 174.6071 170.3137 4.18_520.1250m/z 520.1250 4.18 119.3900 129.4916 134.8374 115.4720 120.9722 115.3668 4.18_524.0962n 505.0784 4.18 316.7394 318.1042 380.9785 310.2273 353.2937 292.0273 4.18_583.1773m/z 583.1773 4.18 417.4052 344.1439 348.6629 314.0290 219.4827 107.8461 4.18_789.2242m/z 789.2242 4.18 151.0685 131.7479 124.9778 132.0173 138.6239 143.0958 4.19_225.0649m/z 225.0649 4.19 170.2883 168.3884 174.5651 159.3650 172.3903 169.4419 4.19_271.0708m/z 271.0708 4.19 1318.7406 1316.2490 1396.2122 1261.6817 1291.7489 1331.9175 4.19_280.1358m/z 280.1358 4.19 825.5066 685.8443 742.3977 604.0058 396.1261 178.0548 C18H21NO3 Codeine Codeine 16714 MEDIUM 4.19_293.0607m/z 293.0607 4.19 274.7640 284.2036 285.8174 257.4118 286.0855 274.3345 4.19_317.0722m/z 317.0722 4.19 138.6248 117.9309 137.6733 114.1430 150.2864 293.4623 4.19_333.0413m/z 333.0413 4.19 708.6114 757.5462 788.7695 757.3236 739.4626 787.2031 4.19_370.1673m/z 370.1673 4.19 1176.1780 973.4610 1058.9279 810.1954 629.1959 277.5071 C22H23N5O2 Roquefortine MEDIUM 4.19_522.1314m/z 522.1314 4.19 74.3964 45.7917 57.8615 61.3328 41.2140 52.7307 4.19_564.1434m/z 564.1434 4.19 267.9972 281.1991 301.1667 280.7509 276.3246 288.9041 4.19_596.2373m/z 596.2373 4.19 372.9951 301.3836 330.9484 278.1247 211.3321 68.5538 4.19_953.3354m/z 953.3354 4.19 126.6765 120.2695 104.3271 134.6223 115.3431 142.2855 4.20_298.0838m/z 298.0838 4.20 273.3018 270.2248 285.0009 276.0638 272.2051 289.1712 4.20_601.2697m/z 601.2697 4.20 504.4795 398.6620 461.5960 364.6583 269.1438 121.6338 4.20_626.1146m/z 626.1146 4.20 130.8432 161.2069 147.5154 130.8515 75.6980 103.7061 4.20_795.2423m/z 795.2423 4.20 158.9475 169.7466 141.2906 133.8414 157.2137 131.9995 4.20_958.5328m/z 958.5328 4.20 307.5362 304.9325 300.1024 306.3773 308.5626 305.2474 4.21_300.0060m/z 300.0060 4.21 262.5970 263.2483 252.0835 246.6276 306.0677 248.6868 4.21_308.0364m/z 308.0364 4.21 187.7416 151.1448 175.2619 170.1564 140.2766 221.1244 4.21_422.0274m/z 422.0274 4.21 68.7961 79.7347 55.4346 48.8681 42.8391 55.6334 4.21_575.1186m/z 575.1186 4.21 242.3136 219.0823 196.0524 213.3297 251.7632 210.0310 4.21_632.1567m/z 632.1567 4.21 220.1951 229.3913 258.5711 237.4955 187.3108 177.6395 4.21_842.3530m/z 842.3530 4.21 88.1451 94.9591 95.1088 91.7790 76.1280 83.6285 4.22_338.0726m/z 338.0726 4.22 2041.1030 1938.7893 2135.4144 1991.2651 2020.5249 2195.5704 4.22_341.9978m/z 341.9978 4.22 824.9775 811.3890 763.5742 772.8024 839.0614 742.2715 4.22_352.0235m/z 352.0235 4.22 59.7215 51.8145 45.0223 46.3221 49.3333 60.7243 4.22_360.0545m/z 360.0545 4.22 52.5650 62.9136 61.1308 59.7294 66.0122 50.4371 4.22_406.0616m/z 406.0616 4.22 302.0711 272.3204 311.2212 290.1543 293.7790 307.7590 4.22_474.0365m/z 474.0365 4.22 124.3320 107.9604 115.2964 122.5002 95.6115 130.6441 4.22_569.1735m/z 569.1735 4.22 446.1739 475.3734 458.5800 466.8495 433.1442 439.7764 4.22_631.1458m/z 631.1458 4.22 77.9730 64.7556 91.4171 59.8439 59.4123 59.4120 4.22_637.1428m/z 637.1428 4.22 136.8103 102.6191 116.1290 103.5267 129.9390 109.4382 4.23_468.0386m/z 468.0386 4.23 336.8879 309.2929 333.6269 301.1048 265.1963 275.4345 4.25_353.0038m/z 353.0038 4.25 1333.3947 1241.6953 1281.3668 1241.6612 1275.6615 1219.5345 4.26_716.3238m/z 716.3238 4.26 565.3630 579.1990 576.9455 588.2003 532.1713 565.3932 4.26_728.3596m/z 728.3596 4.26 225.3508 201.8359 218.2254 226.4757 200.1883 214.1596 4.31_622.7783m/z 622.7783 4.31 593.7759 595.7214 674.7073 612.7048 637.2199 647.3334 4.31_623.2789m/z 623.2789 4.31 323.8571 306.0816 369.3470 316.3205 366.8638 330.7719 4.33_625.3077m/z 625.3077 4.33 1124.7338 1164.0866 1138.0606 1144.7304 1128.0422 1164.8315 4.35_369.0060m/z 369.0060 4.35 199.3513 226.5838 160.5053 184.0292 230.1560 172.5237 4.37_300.0055m/z 300.0055 4.37 274.9904 246.2055 213.0251 222.7336 275.8020 221.2288 4.38_181.0510m/z 181.0510 4.38 672.3738 656.0119 668.2444 653.6748 649.8988 665.4398 C9H10O4 Hydroxyphenyllactic acid Hydroxyphenyllactic acid HMDB00755 HIGH 4.39_370.0778m/z 370.0778 4.39 432.0897 426.5271 427.7939 427.2124 417.4083 423.1551 4.46_203.0023m/z 203.0023 4.46 774.7819 769.7048 780.7000 771.1965 758.5934 797.8917 4.47_195.0528m/z 195.0528 4.47 195.4756 198.4993 184.7146 185.7795 186.5172 188.4267 C7H8N4O3 "1,3-Dimethyluric acid" "1,3-Dimethyluric acid" HMDB01857 MEDIUM 4.48_239.9033m/z 239.9033 4.48 499.6510 429.2958 512.7375 495.3593 441.2634 516.8151 4.51_369.0059m/z 369.0059 4.51 187.0807 188.0804 155.3233 151.4572 197.2181 137.1314 4.52_544.2896n 525.2718 4.52 1118.4332 1158.9926 1077.1718 1111.1225 1090.7250 1101.7053 4.53_543.7879n 524.7701 4.53 2272.9269 2332.0019 2225.9252 2257.8566 2300.3256 2359.9235 4.53_664.3892m/z 664.3892 4.53 227.5667 235.5541 223.2425 215.5484 215.3387 242.4935 4.57_614.2861m/z 614.2861 4.57 37.6761 47.3517 24.7737 30.5264 36.2047 42.0186 4.59_469.2060m/z 469.2060 4.59 323.0923 349.0611 342.5632 338.1798 342.3814 362.5027 4.60_822.4604m/z 822.4604 4.60 199.5103 211.4030 191.3658 199.2196 207.2096 220.3753 4.60_920.3633m/z 920.3633 4.60 118.3225 55.8957 98.1605 100.5815 110.3115 77.2018 4.63_276.0015m/z 276.0015 4.63 196.6231 195.5298 198.3024 177.7426 183.4801 178.6836 4.68_341.9998m/z 341.9998 4.68 139.4867 148.9602 142.6446 128.9822 155.7191 127.4998 C16H12CoF2N2O2 Bis(3-fluorosalicylaldehyde)-ethylenediimine-cobalt MEDIUM 4.68_740.2755m/z 740.2755 4.68 1156.1356 1156.9496 1143.4421 1100.2428 1151.1992 1197.7748 4.68_762.2572m/z 762.2572 4.68 204.4245 212.8332 214.2868 208.6478 215.4341 211.0113 4.69_212.0029m/z 212.0029 4.69 523.1175 540.0752 502.7716 549.9021 518.9850 527.4507 C8H7NO4S Indoxyl sulfate Indoxyl sulfate 43355 HIGH 4.72_755.4180m/z 755.4180 4.72 788.4638 799.3270 784.4336 802.3640 796.7455 806.1102 4.72_802.4299m/z 802.4299 4.72 167.8911 157.7627 147.7971 176.8823 180.7268 188.9168 4.73_179.0578m/z 179.0578 4.73 1784.5172 1815.5755 1808.4367 1839.1975 1828.5817 1930.8971 C7H8N4O2 Theophylline Theophylline 28177 HIGH 4.73_713.3961m/z 713.3961 4.73 649.4853 597.6551 629.6037 610.3139 582.5950 657.1510 4.75_565.2576m/z 565.2576 4.75 187.3351 209.2828 189.5499 189.0508 201.4321 188.4657 4.79_581.2740m/z 581.2740 4.79 377.3596 353.0095 309.7861 343.4674 348.4020 356.4472 4.80_525.2630m/z 525.2630 4.80 72.3555 78.0823 77.4023 75.2254 65.8489 83.3970 4.85_129.0559m/z 129.0559 4.85 1374.9446 1357.8694 1376.4214 1361.3017 1370.8981 1372.7882 C6H10O3 Ketoleucine Ketoleucine HMDB00695 MEDIUM 4.85_214.0315m/z 214.0315 4.85 46.2901 49.7389 58.8101 52.0038 57.7349 55.5072 4.85_262.9234m/z 262.9234 4.85 260.6101 249.6068 255.4337 244.6968 256.6163 233.3721 4.85_264.9201m/z 264.9201 4.85 305.2616 326.8277 325.7960 323.3136 297.4872 331.8887 4.85_266.9176m/z 266.9176 4.85 243.1169 216.4083 218.5947 221.4156 236.4385 256.2615 4.85_281.1023m/z 281.1023 4.85 1468.6527 1531.6312 1425.3882 1497.2985 1470.2888 1511.4636 4.85_327.0027m/z 327.0027 4.85 234.4507 193.3559 211.1877 187.7111 206.6171 210.4444 4.85_343.0721m/z 343.0721 4.85 685.1918 720.9118 699.4340 696.5540 663.3510 698.9531 4.85_359.0132m/z 359.0132 4.85 371.0395 367.8332 303.6481 335.9962 332.0969 311.6552 4.85_367.0317m/z 367.0317 4.85 108.4735 87.1013 90.4210 101.4642 113.5609 103.8179 4.85_369.0074m/z 369.0074 4.85 413.3241 448.4785 384.5493 369.8870 444.6162 349.2259 4.85_388.9721m/z 388.9721 4.85 195.4136 189.8454 211.4008 197.9445 195.1311 222.9806 4.85_411.0594m/z 411.0594 4.85 218.1775 220.2071 210.9903 226.3052 209.1557 200.9740 4.85_427.1296m/z 427.1296 4.85 211.2679 232.9675 229.6592 258.2007 247.9691 250.2256 4.86_197.0433m/z 197.0433 4.86 498.5705 478.2502 492.7493 489.7852 495.6835 514.1394 4.86_230.9564m/z 230.9564 4.86 307.2671 285.6877 286.4923 277.4418 293.7537 276.9335 4.86_259.0141m/z 259.0141 4.86 1249.9785 1236.2471 1284.4466 1249.8958 1254.7598 1301.7740 4.86_274.9786m/z 274.9786 4.86 123.2584 110.9480 126.1980 126.2183 121.7021 113.7044 4.86_352.9961m/z 352.9961 4.86 110.9441 107.4083 112.9158 101.0113 125.0079 98.7952 4.86_357.0077m/z 357.0077 4.86 249.7312 257.3039 268.7542 241.5227 217.8119 235.3374 4.86_473.0288m/z 473.0288 4.86 167.3507 133.1579 137.1697 144.5436 152.5762 138.2163 4.87_300.0076m/z 300.0076 4.87 245.7231 250.0346 241.6802 241.0102 267.6334 261.5718 4.88_259.1306m/z 259.1306 4.88 219.6418 228.6384 227.4631 233.1632 227.9678 248.2540 4.93_203.0025m/z 203.0025 4.93 927.5919 919.6254 946.0874 908.8473 948.6725 943.1930 4.93_390.0598m/z 390.0598 4.93 294.0024 277.2432 255.3288 262.0769 286.4504 297.6831 4.94_342.0000m/z 342.0000 4.94 114.4397 121.7823 111.1953 112.4165 124.2426 113.6135 4.95_525.2619m/z 525.2619 4.95 214.8920 211.0207 246.9245 219.9571 225.9947 245.2695 4.95_525.7628m/z 525.7628 4.95 88.3886 92.8218 108.3681 88.3987 104.8609 99.3510 4.95_733.3296m/z 733.3296 4.95 135.6839 124.8018 123.5509 114.0987 130.6533 108.4250 4.95_733.8295m/z 733.8295 4.95 69.1045 74.7038 67.1658 62.0511 87.0691 79.2833 4.98_310.9291m/z 310.9291 4.98 98.0305 92.7577 94.2110 79.5952 94.1425 98.2541 4.98_486.3051m/z 486.3051 4.98 2703.7223 2592.7993 2615.3202 2519.3924 2647.4393 2637.8398 4.98_554.2923m/z 554.2923 4.98 232.8644 225.7666 223.9019 198.4908 232.8419 216.9473 5.01_943.5609m/z 943.5609 5.01 301.2778 304.7724 317.9999 277.0283 283.7163 321.5428 5.02_153.0196m/z 153.0196 5.02 305.4630 302.7465 280.2240 288.4622 298.7394 267.5377 C7H6O4 Protocatechuic acid Protocatechuic acid HMDB01856 99-50-3 MEDIUM 5.04_239.9037m/z 239.9037 5.04 342.6951 309.4439 323.6944 296.1848 304.3338 335.9876 5.06_287.0213m/z 287.0213 5.06 144.8716 155.0125 149.0721 163.5405 149.8716 149.4634 C18H15As Triphenylarsine MEDIUM 5.07_203.0025m/z 203.0025 5.07 1879.9401 1837.7676 1898.2126 1832.3475 1816.6090 1894.0048 5.07_683.8431m/z 683.8431 5.07 156.5322 131.0399 133.7679 136.7570 120.9555 112.7511 5.08_134.0617m/z 134.0617 5.08 295.8938 303.3421 311.0333 322.3115 300.3494 308.7248 C8H11NO2 Dopamine Dopamine 18243 MEDIUM 5.08_178.0516m/z 178.0516 5.08 1833.8397 1883.1855 1893.1051 1873.6737 1853.8747 1882.8605 C9H9NO3 Hippuric acid Hippuric acid HMDB00714 HIGH 5.08_246.0386m/z 246.0386 5.08 327.9934 331.7485 337.4290 336.2619 348.6568 313.9928 5.08_262.0040m/z 262.0040 5.08 124.5997 130.8564 122.4320 106.8071 121.6187 122.5856 5.08_277.9586m/z 277.9586 5.08 102.5678 92.3911 90.3537 90.9353 103.0944 97.3196 5.08_308.0100m/z 308.0100 5.08 412.2154 427.2003 403.9849 410.1708 433.9260 444.5723 5.08_314.0262m/z 314.0262 5.08 90.6786 104.2352 75.0614 74.2304 97.9526 75.6512 5.08_375.9962m/z 375.9962 5.08 115.3954 130.5023 113.2667 106.5217 103.2999 131.1155 5.08_379.0920m/z 379.0920 5.08 110.0051 127.7379 114.5949 117.2095 122.7919 123.1855 5.08_470.1899m/z 470.1899 5.08 241.4294 234.4753 215.8325 227.5209 214.8855 211.5664 5.08_826.4567m/z 826.4567 5.08 1567.2061 1494.2428 1528.7254 1495.9768 1467.0967 1501.9808 5.13_417.2361m/z 417.2361 5.13 251.3699 238.1213 238.9007 256.4058 242.4770 281.2742 5.13_623.3166m/z 623.3166 5.13 160.3352 153.7573 151.0085 141.5286 150.7198 170.1002 5.13_642.3238m/z 642.3238 5.13 283.0801 291.2971 282.4305 259.7781 279.6699 284.5562 5.13_642.8258m/z 642.8258 5.13 165.5309 163.8685 144.8459 166.3626 174.6396 169.4797 5.14_248.9730m/z 248.9730 5.14 536.5864 576.6506 578.8164 540.9268 512.3345 562.2372 C8H9KN2O4S Potassium asulam MEDIUM 5.14_254.9888m/z 254.9888 5.14 435.5112 416.2515 423.8213 419.6536 418.7668 436.1402 5.14_309.9446m/z 309.9446 5.14 163.9862 149.5396 163.4533 148.7113 151.8039 145.0425 5.14_748.3873m/z 748.3873 5.14 45.9521 60.0727 69.0273 49.9206 54.9745 45.9795 5.15_121.0301m/z 121.0301 5.15 1611.1071 1653.7371 1643.3907 1642.1922 1622.7213 1647.6120 C7H6O2 Benzoic acid Benzoic acid 30746 MEDIUM 5.15_165.0198m/z 165.0198 5.15 2147.0773 2247.9870 2218.2100 2166.6618 2192.1720 2283.5614 C8H6O4 Terephthalic acid Terephthalic acid HMDB02428 HIGH 5.15_187.0086m/z 187.0086 5.15 207.5352 211.8049 241.3413 212.6212 199.4407 237.5207 C7H8O4S p-Cresol sulfate P-Cresol sulfate 82914 MEDIUM 5.15_300.0061m/z 300.0061 5.15 231.7059 257.4187 239.3342 221.5151 257.3083 228.4653 5.15_353.0237m/z 353.0237 5.15 548.5165 559.3078 533.3872 536.2045 543.1802 535.5479 5.15_369.0050m/z 369.0050 5.15 602.1939 618.0530 593.7698 559.7442 651.3747 523.7479 5.15_375.0115m/z 375.0115 5.15 153.3715 172.9237 139.7636 143.1350 150.8701 164.0309 5.15_390.9778m/z 390.9778 5.15 253.8511 248.6140 256.1902 252.6132 257.0396 273.1455 5.15_401.0176m/z 401.0176 5.15 211.9856 199.3026 223.8006 200.2211 207.9584 220.3143 5.15_670.3895m/z 670.3895 5.15 164.5504 156.3977 163.8932 160.8780 162.8924 141.9702 5.15_747.8842m/z 747.8842 5.15 116.3432 112.9540 103.0477 136.1367 104.3030 105.8736 5.15_894.4466m/z 894.4466 5.15 1524.4386 1519.8794 1570.1723 1498.8746 1534.9328 1529.7097 5.16_220.9514m/z 220.9514 5.16 65.1564 71.1273 73.5888 71.4955 67.9349 77.2975 5.16_269.9451m/z 269.9451 5.16 26.0839 28.7173 28.6711 32.0326 32.7930 34.6550 5.16_317.0647m/z 317.0647 5.16 517.5183 509.4516 521.5924 506.5785 527.3473 539.7320 5.16_333.0303m/z 333.0303 5.16 482.4521 518.6162 518.5504 482.2610 498.6921 535.0705 5.16_339.0473m/z 339.0473 5.16 400.0313 426.0504 427.5512 397.5758 419.2437 444.3814 5.16_485.0752m/z 485.0752 5.16 265.8246 282.6221 273.2629 263.6337 285.1083 268.0658 5.16_532.0025m/z 532.0025 5.16 27.8366 50.2417 41.2474 44.4124 67.3010 39.0340 5.16_543.0208m/z 543.0208 5.16 88.9950 85.6414 58.3173 68.5642 82.9063 68.1528 5.16_547.0400m/z 547.0400 5.16 92.7491 78.5231 107.0095 100.1549 90.7124 99.9494 5.17_129.0562m/z 129.0562 5.17 1916.9016 1953.0630 1969.9425 1936.9994 1904.5595 1978.1242 C6H10O3 Ketoleucine Ketoleucine HMDB00695 MEDIUM 5.17_226.9473m/z 226.9473 5.17 357.7865 386.8585 412.1061 357.4314 357.7032 364.4447 5.17_228.9479m/z 228.9479 5.17 483.8495 459.1574 477.0849 430.7552 475.7186 441.1120 5.17_230.9519m/z 230.9519 5.17 611.1918 608.6819 674.6318 607.1584 617.4652 690.3551 5.17_262.9239m/z 262.9239 5.17 408.9642 404.8071 445.6313 395.4393 404.8681 424.4653 5.17_264.9208m/z 264.9208 5.17 557.1374 566.5790 585.2686 534.9868 555.6635 585.5900 5.17_266.9183m/z 266.9183 5.17 356.4032 372.8683 397.6038 378.8734 356.1734 374.3199 5.17_281.1017m/z 281.1017 5.17 1747.1015 1787.2065 1841.9280 1795.7460 1754.0129 1872.9138 5.17_284.9760m/z 284.9760 5.17 85.1608 103.6887 97.8082 97.8249 110.1647 95.4541 5.17_313.0361m/z 313.0361 5.17 110.3113 116.2708 101.4598 122.5804 100.9405 109.9081 5.17_315.0194m/z 315.0194 5.17 165.8708 186.4103 189.3315 184.7307 189.9097 168.0285 5.17_343.0719m/z 343.0719 5.17 801.8032 843.0203 843.9347 780.0309 843.4746 819.5627 5.17_357.0075m/z 357.0075 5.17 360.4803 377.9158 378.1964 389.1863 397.8853 395.2925 5.17_359.0101m/z 359.0101 5.17 341.2342 360.1486 395.8932 356.3318 348.1085 385.0171 5.17_361.0053m/z 361.0053 5.17 289.8908 297.7858 292.9370 286.4456 282.6094 275.7475 5.17_368.1051n 349.0872 5.17 291.8924 303.4314 297.7766 276.7490 286.0607 281.1234 5.17_394.0031m/z 394.0031 5.17 155.7373 160.8226 166.5826 151.0038 135.2942 155.7216 5.17_411.0597m/z 411.0597 5.17 228.4310 209.6229 255.0240 211.0613 220.1620 221.0379 5.17_427.1291m/z 427.1291 5.17 409.4565 416.8317 417.5059 416.8477 418.5924 438.6540 5.17_495.1164m/z 495.1164 5.17 213.4378 221.4901 231.0891 216.6270 218.1256 230.0784 5.18_213.0084m/z 213.0084 5.18 99.5678 101.4263 110.1808 90.5468 113.8103 100.9634 5.18_214.0317m/z 214.0317 5.18 47.8478 45.4680 37.0913 40.1395 53.3251 38.1520 5.18_259.0145m/z 259.0145 5.18 1329.4251 1285.7165 1377.6197 1299.8366 1305.5344 1370.3721 5.18_388.9734m/z 388.9734 5.18 143.9636 132.8397 143.5807 151.8108 162.4599 147.3950 5.18_473.0266m/z 473.0266 5.18 143.8581 124.5096 179.2917 146.7228 152.2809 159.5889 5.18_700.3451m/z 700.3451 5.18 136.7342 128.0665 148.1416 115.4783 123.5632 148.6577 5.19_197.0432m/z 197.0432 5.19 521.0467 497.8775 550.7461 506.4967 522.4312 499.4314 5.19_771.3822m/z 771.3822 5.19 202.9590 202.9752 187.1136 184.2019 177.2484 198.4114 5.23_273.0072m/z 273.0072 5.23 216.4487 168.7205 206.6537 192.3875 191.3850 150.8044 5.23_342.0003m/z 342.0003 5.23 111.0471 132.9410 113.5786 115.4917 126.6490 107.0867 5.23_549.7260m/z 549.7260 5.23 43.9476 60.6067 47.9619 34.0742 31.6885 42.7915 5.23_558.7307m/z 558.7307 5.23 1067.4496 1139.8405 1100.1178 1065.8352 1087.3119 1218.0716 5.23_559.2315m/z 559.2315 5.23 519.6558 557.6594 569.0169 522.1848 557.2752 602.4973 5.23_569.7214m/z 569.7214 5.23 280.8079 307.2912 310.5980 255.4735 285.3261 288.0446 5.23_570.2231m/z 570.2231 5.23 127.4644 146.9301 135.8178 116.7824 142.7216 156.1748 5.28_145.0624m/z 145.0624 5.28 545.0342 546.0341 542.7728 532.1380 524.6383 557.0865 C5H10N2O3 L-Glutamine Glutamine 18050 HIGH 5.28_160.9764m/z 160.9764 5.28 85.8330 69.4218 88.8094 76.5444 77.8928 86.4641 5.28_263.1045m/z 263.1045 5.28 3394.3229 3369.2911 3420.9712 3403.2195 3358.1330 3484.8301 5.28_331.0918m/z 331.0918 5.28 373.9296 374.9021 399.9459 372.6972 355.6604 380.8950 5.28_347.0562m/z 347.0562 5.28 122.0996 112.8671 131.6262 134.6340 136.2684 114.7601 5.28_362.0216m/z 362.0216 5.28 68.6013 76.5784 75.1833 99.1732 78.5138 71.9086 5.28_393.0618m/z 393.0618 5.28 258.0537 244.6046 254.6850 258.4172 234.6686 256.1263 5.31_775.3769m/z 775.3769 5.31 202.8513 208.3566 194.7292 203.5766 164.3509 199.7516 5.33_230.0133m/z 230.0133 5.33 476.6805 435.5779 485.0688 486.6310 460.1452 479.9062 5.33_753.3953m/z 753.3953 5.33 1514.1777 1534.5123 1548.7547 1497.5289 1467.8423 1550.3674 5.37_203.0023m/z 203.0023 5.37 496.2332 474.9841 478.6940 477.2687 483.7419 510.8349 5.38_239.9035m/z 239.9035 5.38 570.7236 471.2406 534.6777 487.6359 518.7348 541.0333 5.38_599.3166m/z 599.3166 5.38 291.1924 263.9557 306.4148 300.9406 310.1349 292.9256 5.41_530.2192m/z 530.2192 5.41 110.0618 136.2920 126.8225 122.2757 131.3459 147.6666 5.41_530.7227m/z 530.7227 5.41 58.3552 62.3406 60.6876 72.2564 59.4927 77.3558 5.42_187.0078m/z 187.0078 5.42 191.4103 151.7377 164.1419 148.9291 174.3375 157.8998 C7H8O4S p-Cresol sulfate P-Cresol sulfate 82914 MEDIUM 5.47_780.4010m/z 780.4010 5.47 142.9079 126.4010 132.4291 150.0783 152.8967 116.8152 5.48_827.3724m/z 827.3724 5.48 1112.2679 1102.2835 1093.2901 1055.8862 1091.3595 1114.7200 5.48_849.3540m/z 849.3540 5.48 279.6235 322.7768 271.1498 279.1855 285.7411 263.5632 5.49_926.4200m/z 926.4200 5.49 3040.1061 3092.3544 3181.8205 3059.4570 3055.5242 3149.2801 5.49_926.9214m/z 926.9214 5.49 2232.7637 2222.5034 2297.9874 2192.6343 2214.2923 2325.9019 5.49_937.4096m/z 937.4096 5.49 890.3607 887.8837 882.2626 840.1361 871.0773 878.1868 5.49_937.9119m/z 937.9119 5.49 623.2066 611.2838 699.8219 616.8958 655.5014 655.2110 5.49_945.3946m/z 945.3946 5.49 196.4408 210.3023 219.5350 197.1188 196.2853 196.3606 5.49_945.8936m/z 945.8936 5.49 161.9093 115.3447 124.6808 127.6453 144.1052 140.5518 5.49_948.4006m/z 948.4006 5.49 273.4751 310.7901 260.9590 288.2844 256.7216 284.5082 5.49_948.9008m/z 948.9008 5.49 196.0234 217.9117 206.1884 179.0582 189.9519 200.5116 5.49_956.3841m/z 956.3841 5.49 132.1603 150.9214 179.0087 166.1132 155.1243 162.4499 5.56_369.0051m/z 369.0051 5.56 296.8421 308.8530 275.6844 272.9099 317.9219 229.7909 5.56_557.2935m/z 557.2935 5.56 186.0494 183.8231 181.5487 187.6533 168.4423 179.4205 5.57_470.2618m/z 470.2618 5.57 112.8493 122.1536 113.9647 110.4138 119.1807 115.3403 5.58_300.0051m/z 300.0051 5.58 188.1811 198.0895 181.9997 192.9317 201.9127 164.4611 5.60_458.9735m/z 458.9735 5.60 355.2492 379.5898 357.5290 384.0483 341.3055 399.6026 5.61_107.0506m/z 107.0506 5.61 3875.8469 3914.3177 4033.5957 3905.1377 3914.4427 4114.1631 C7H8O p-Cresol P-Cresol 17847 MEDIUM 5.61_187.0072m/z 187.0072 5.61 80604.5768 80140.4605 81464.3923 79851.5804 80446.3510 84069.5739 C7H8O4S p-Cresol sulfate P-Cresol sulfate 82914 HIGH 5.61_187.1203m/z 187.1203 5.61 1400.2213 1260.7028 1251.0389 1150.9713 1281.2976 1059.8153 5.61_254.9942m/z 254.9942 5.61 401.0124 397.0330 418.1872 407.4682 396.4905 417.5987 5.61_316.9655m/z 316.9655 5.61 1093.2306 1114.0782 1136.5999 1076.8387 1059.5675 1151.9655 5.61_397.0041m/z 397.0041 5.61 3872.0209 3934.9243 3970.0301 3962.0374 4004.5151 4107.8454 5.61_508.2897m/z 508.2897 5.61 8541.7418 8558.5455 8859.7105 8890.2163 9000.1282 9397.4700 5.61_530.2711m/z 530.2711 5.61 401.7469 377.4691 413.0495 418.3631 386.1763 423.6213 5.61_592.2417m/z 592.2417 5.61 204.2161 181.7378 192.6774 186.8140 195.1470 210.4059 5.61_696.3043m/z 696.3043 5.61 1741.7392 1748.9609 1788.5191 1727.9629 1709.7262 1704.3714 5.61_718.2858m/z 718.2858 5.61 486.7349 476.7940 458.7802 462.7409 478.2962 468.7688 5.61_783.3361m/z 783.3361 5.61 241.3393 265.3838 235.9369 233.8102 209.2004 245.3061 5.61_79.9586m/z 79.9586 5.61 531.3737 526.6786 529.6492 511.0188 544.6382 542.7573 5.61_80.9663m/z 80.9663 5.61 195.7749 172.1923 181.4920 160.5546 191.2799 174.7450 5.61_943.3997m/z 943.3997 5.61 140.9559 123.7607 126.0835 125.9424 138.2994 116.6862 5.62_271.9847m/z 271.9847 5.62 78.9238 68.7155 76.7976 75.7143 74.9918 75.3089 5.62_576.2763m/z 576.2763 5.62 285.8750 295.8315 303.9021 274.3076 287.0879 326.0422 5.62_595.3214m/z 595.3214 5.62 1273.1058 1284.6858 1304.2357 1314.4744 1308.9792 1369.9364 5.63_755.3853m/z 755.3853 5.63 1418.2977 1389.6475 1416.4674 1371.0830 1374.4244 1490.6944 5.64_794.3560m/z 794.3560 5.64 151.8545 146.0145 162.3905 137.8161 141.1537 141.7406 5.64_794.8607m/z 794.8607 5.64 88.5337 83.6966 76.4961 96.4245 97.9325 97.2283 5.66_748.3748m/z 748.3748 5.66 250.0664 247.9549 262.6194 234.9455 237.9229 295.8874 5.66_748.8775m/z 748.8775 5.66 164.5955 145.7412 163.7488 144.1991 155.9244 178.2425 5.67_818.2947m/z 818.2947 5.67 64.4638 75.9270 48.4966 59.9088 95.8690 67.0163 5.68_160.9769m/z 160.9769 5.68 60.1897 58.1787 65.0904 68.3480 66.3210 77.1036 5.68_636.3480m/z 636.3480 5.68 590.9181 617.9645 529.8483 538.0717 504.7837 515.2735 5.68_658.3279m/z 658.3279 5.68 149.3180 132.3049 146.1054 152.8648 127.7999 142.6748 5.68_666.3590m/z 666.3590 5.68 12569.6715 12744.4675 12811.6167 12727.4523 12764.4195 13419.8400 5.68_688.3387m/z 688.3387 5.68 363.9634 428.3283 393.2536 403.8174 386.8788 424.9292 5.68_734.3459m/z 734.3459 5.68 501.4571 540.8783 544.8098 511.1311 516.5023 559.0129 5.68_750.3081m/z 750.3081 5.68 193.9984 192.5886 198.3822 183.0558 228.9321 194.3328 5.68_766.2791m/z 766.2791 5.68 53.2881 66.2545 53.1873 44.4261 69.1287 52.8868 5.70_740.3385m/z 740.3385 5.70 3658.7365 3447.2404 3501.8440 3373.0465 3428.6127 3627.9784 5.70_762.3193m/z 762.3193 5.70 862.3104 813.8261 809.1964 790.7836 845.8371 929.4854 5.70_824.2914m/z 824.2914 5.70 266.4302 264.4446 277.3652 257.2412 258.0814 270.7486 5.70_830.3045m/z 830.3045 5.70 169.4977 185.4716 154.0252 156.4900 185.8901 179.4144 5.78_696.8378m/z 696.8378 5.78 191.1094 183.7552 169.4946 192.3244 173.7764 195.8087 5.79_526.7799m/z 526.7799 5.79 490.1842 450.3498 461.2730 430.8084 430.2930 516.9119 5.79_527.2812m/z 527.2812 5.79 207.9837 186.9691 194.2849 194.2844 181.8793 191.7242 5.79_537.7706m/z 537.7706 5.79 92.6056 98.7425 95.2965 81.3865 97.8195 100.8663 5.79_670.3525m/z 670.3525 5.79 247.5531 233.7096 235.1151 248.8614 227.6231 243.4380 5.79_697.3382m/z 697.3382 5.79 95.1261 87.9204 103.5381 88.2135 115.8718 94.5170 5.81_230.9967m/z 230.9967 5.81 1011.1418 1052.1184 1045.1861 1048.2296 1048.2000 1080.5445 5.82_151.0403m/z 151.0403 5.82 214.3597 219.0630 229.7326 222.5545 234.4802 220.8866 C8H8O3 Ortho-Hydroxyphenylacetic acid Ortho-Hydroxyphenylacetic acid HMDB00669 HIGH 5.83_748.3763m/z 748.3763 5.83 666.7610 611.6106 624.1826 646.1679 607.6599 710.3499 5.83_748.8778m/z 748.8778 5.83 509.0944 490.3635 525.0482 525.5985 530.3946 575.1868 5.83_759.3653m/z 759.3653 5.83 92.9730 91.5631 66.1607 84.6048 86.9387 97.4829 5.83_759.8677m/z 759.8677 5.83 58.9966 46.5669 56.9158 68.2528 70.5138 68.8061 5.84_668.3580m/z 668.3580 5.84 713.9124 780.8188 739.2677 725.4007 679.0159 779.1232 5.84_668.8576m/z 668.8576 5.84 717.7852 751.4024 669.3883 677.9676 681.4295 705.7739 5.86_729.3909m/z 729.3909 5.86 1121.9422 1040.6000 1166.4488 1134.5848 1102.8570 1111.3449 5.87_245.0492m/z 245.0492 5.87 209.9083 202.2498 211.4829 222.2133 204.8428 223.3612 5.87_300.0052m/z 300.0052 5.87 87.9800 90.0489 82.8982 80.8256 96.8760 75.8159 5.88_941.9307m/z 941.9307 5.88 212.2739 286.9273 279.3396 261.7527 265.5703 273.1803 5.88_942.4334m/z 942.4334 5.88 161.9737 190.8350 216.9860 207.9507 165.0144 182.6000 5.89_749.3629m/z 749.3629 5.89 2756.1945 2771.7430 2770.1696 2635.2565 2785.8101 2773.2553 5.89_749.8638m/z 749.8638 5.89 1656.9351 1617.0034 1750.0600 1643.5949 1648.4119 1655.2834 5.89_760.3545m/z 760.3545 5.89 600.2632 620.7120 626.7775 554.0967 573.0839 585.6792 5.89_760.8535m/z 760.8535 5.89 373.8388 362.7370 365.2475 320.7056 337.4169 345.4780 5.89_768.3368m/z 768.3368 5.89 162.7491 166.0089 145.7247 140.3103 135.4703 175.5926 5.89_768.8366m/z 768.8366 5.89 105.3626 97.6653 96.7036 80.2870 78.3813 80.4855 5.89_771.3434m/z 771.3434 5.89 116.9143 153.5823 116.7153 142.3618 108.2110 107.3683 5.89_771.8436m/z 771.8436 5.89 67.5606 62.5080 71.0143 67.8411 62.9206 67.0423 5.92_413.2068m/z 413.2068 5.92 174.1781 144.0770 160.6508 143.9027 154.7215 127.4905 5.97_243.1717m/z 243.1717 5.97 799.2908 830.4458 824.7043 812.5063 795.3464 849.0131 6.00_252.0453m/z 252.0453 6.00 350.0796 351.1399 351.3838 338.3958 362.2180 366.1452 6.01_164.9284m/z 164.9284 6.01 116.7870 106.8848 124.2152 110.0259 106.2762 115.3260 6.02_310.9267m/z 310.9267 6.02 162.9803 149.1470 160.6428 136.1359 136.2735 156.5435 6.06_194.0463m/z 194.0463 6.06 147.2394 176.4342 166.8133 171.7026 172.9715 161.0638 C9H9NO4 Salicyluric acid Salicyluric acid HMDB00840 MEDIUM 6.07_749.8544m/z 749.8544 6.07 86.7243 92.1568 90.9456 87.1168 125.4381 111.6221 6.08_836.3905m/z 836.3905 6.08 347.5832 298.7052 316.1983 298.5790 322.2106 305.2711 6.09_836.8924m/z 836.8924 6.09 217.3629 240.5138 227.1348 234.7171 232.6754 237.0552 6.10_383.2308m/z 383.2308 6.10 230.1836 227.3355 202.5734 195.8737 197.8764 214.1058 6.11_215.0027m/z 215.0027 6.11 487.1645 502.4156 512.5475 503.7383 475.9229 519.4729 6.12_561.2623m/z 561.2623 6.12 36.8338 52.1824 43.7199 35.6876 59.2583 48.6722 6.13_563.2353m/z 563.2353 6.13 89.2929 99.1906 92.3419 92.6880 116.6728 98.5262 6.13_563.7361m/z 563.7361 6.13 31.2913 46.9718 52.2228 50.0817 74.4594 61.7156 6.13_604.2674n 585.2495 6.13 1059.5709 1155.9829 1145.5144 1008.8440 1097.5889 1166.8626 6.13_604.7686n 585.7507 6.13 552.4226 605.5260 584.0933 561.5758 585.6727 642.6790 6.15_749.8532m/z 749.8532 6.15 236.8332 231.7587 223.6240 202.4584 200.3419 237.0928 6.15_750.3549m/z 750.3549 6.15 121.3105 129.4079 104.6899 106.2934 107.2569 104.3361 6.16_241.1199m/z 241.1199 6.16 240.5701 224.8453 236.0343 220.4236 251.4874 242.9559 6.20_611.7768m/z 611.7768 6.20 91.4403 85.7584 72.4632 74.5109 90.6988 100.4526 6.21_651.2635m/z 651.2635 6.21 171.5388 175.7562 169.0113 162.7427 156.0957 170.5911 6.26_164.9270m/z 164.9270 6.26 157.6718 149.5951 162.0173 146.6155 140.4420 155.8254 6.28_376.1511m/z 376.1511 6.28 177.7083 191.9681 188.7146 166.7281 158.3480 180.0215 6.30_550.2323m/z 550.2323 6.30 41.2994 53.9229 41.9962 48.2715 56.9048 48.5719 6.30_550.7363m/z 550.7363 6.30 38.3281 34.8195 40.7369 53.6144 48.8129 44.0748 6.34_354.9928m/z 354.9928 6.34 26.6436 65.2248 46.3166 53.4239 49.5260 41.2733 6.35_226.0184m/z 226.0184 6.35 1052.8807 1037.9566 1091.2685 1079.0721 1022.1256 1074.3166 6.35_898.4652m/z 898.4652 6.35 303.7285 273.8412 285.2602 273.6638 246.6118 284.5821 6.39_369.0058m/z 369.0058 6.39 406.8157 378.3480 331.9598 347.3725 368.7325 304.1694 6.39_444.2457m/z 444.2457 6.39 235.6138 226.5709 238.3508 233.5046 232.6059 250.5894 6.40_625.2904m/z 625.2904 6.40 184.9434 176.3689 188.8550 202.4872 152.3213 185.1004 6.40_625.7904m/z 625.7904 6.40 100.9135 102.3399 124.4229 107.3990 102.1904 91.3700 6.41_666.3569m/z 666.3569 6.41 519.3558 524.0243 542.0015 507.8378 556.6032 504.2243 6.42_413.2069m/z 413.2069 6.42 213.6424 199.1424 216.6961 195.5671 223.3208 200.0304 6.43_679.8209m/z 679.8209 6.43 82.8120 71.5341 73.7381 81.0057 82.0504 58.9103 6.45_670.3235m/z 670.3235 6.45 138.5783 132.8683 147.7502 128.2442 131.6725 126.8146 6.45_670.8238m/z 670.8238 6.45 81.9857 93.3509 109.5520 86.8018 77.8997 96.0049 6.48_164.9276m/z 164.9276 6.48 188.3816 170.0733 183.0384 156.8827 174.0895 168.9970 6.48_583.2732m/z 583.2732 6.48 737.4555 710.9335 755.4366 740.4391 720.3430 758.7372 C29H44O12 Ouabain Ouabain 472805 MEDIUM 6.48_676.3537m/z 676.3537 6.48 249.8987 237.2758 249.1697 254.1963 222.8366 243.0373 6.48_676.8550m/z 676.8550 6.48 151.5793 150.3586 164.9111 143.3572 143.7872 166.5651 6.49_485.2525m/z 485.2525 6.49 247.7440 235.3258 258.9030 249.8974 238.3413 260.6836 6.53_548.2757m/z 548.2757 6.53 1245.9427 1294.2023 1342.5950 1301.4801 1400.6900 1329.6537 6.53_558.7663m/z 558.7663 6.53 130.9987 105.3405 123.8520 106.5859 115.6935 124.4742 6.53_559.2653m/z 559.2653 6.53 46.4339 55.8714 47.1573 53.7976 52.8987 45.2944 6.53_566.7525m/z 566.7525 6.53 107.8078 89.1326 108.5463 107.4600 107.4498 117.0403 6.53_566.7920n 547.7742 6.53 2362.2613 2469.7647 2715.3230 2521.4015 2583.1281 2645.4018 6.55_962.5085m/z 962.5085 6.55 626.5541 557.4692 527.3895 561.2592 551.1275 566.0823 6.58_518.3342m/z 518.3342 6.58 224.1841 205.8032 212.2982 215.4558 222.5927 230.9297 6.59_572.2587m/z 572.2587 6.59 128.4426 142.3163 131.7438 156.3420 124.7466 129.7161 6.59_630.3189m/z 630.3189 6.59 360.3278 367.0797 360.9849 369.7664 349.4147 388.9857 6.59_630.8209m/z 630.8209 6.59 180.5675 171.0384 189.5863 189.6230 185.2330 216.1634 6.59_671.3102m/z 671.3102 6.59 303.9467 252.5069 288.2534 269.8835 266.9523 298.9739 6.59_671.8119m/z 671.8119 6.59 163.5408 166.1748 170.8719 165.8238 159.9650 180.6062 6.61_165.0558m/z 165.0558 6.61 181.8368 189.6303 184.9865 182.0561 189.4446 190.1614 C9H10O3 L-3-Phenyllactic acid HMDB00748 HIGH 6.62_119.0504m/z 119.0504 6.62 295.3860 294.9421 313.7659 271.5107 274.4807 278.6551 C8H10O2 Tyrosol HMDB04284 HIGH 6.62_199.0071m/z 199.0071 6.62 2524.2354 2525.1397 2608.1794 2601.6939 2495.0685 2677.2656 6.62_369.0051m/z 369.0051 6.62 177.8347 166.7550 160.7903 140.0584 153.9507 132.6896 6.63_232.9951m/z 232.9951 6.63 484.7432 452.7384 463.4995 438.2771 460.5099 457.5285 6.65_815.3801m/z 815.3801 6.65 623.5290 629.2500 588.4073 608.5215 604.2587 619.7200 6.67_275.1041m/z 275.1041 6.67 274.7507 271.3401 276.3898 271.1560 272.9175 269.5151 6.68_921.9249m/z 921.9249 6.68 267.9555 255.9896 219.5270 220.4130 225.3715 248.0213 6.68_981.5393m/z 981.5393 6.68 750.4026 763.2484 705.2684 742.2186 729.7182 746.8026 6.70_922.4265m/z 922.4265 6.70 155.9574 172.3716 157.9174 160.4962 145.8502 155.6142 6.74_204.0670m/z 204.0670 6.74 1127.0752 1116.1090 1136.2994 1140.1021 1130.3315 1154.2709 C11H11NO3 o-(2-Propynyloxy)phenyl methylcarbamate MEDIUM 6.74_277.1562m/z 277.1562 6.74 413.7439 427.3664 409.4019 409.7753 395.4160 406.4669 6.74_354.9921m/z 354.9921 6.74 39.3513 49.1167 24.3194 30.3515 29.6581 49.3200 6.76_217.0182m/z 217.0182 6.76 367.0440 387.6217 388.1761 357.1508 372.1122 391.4256 6.76_272.0536m/z 272.0536 6.76 127.2210 120.2967 93.2887 124.5072 114.7893 118.3425 6.76_334.0243m/z 334.0243 6.76 92.3290 76.4212 79.3003 74.0899 75.6559 76.3925 6.76_507.1982m/z 507.1982 6.76 129.2980 128.0750 136.1708 136.0429 141.7785 151.7683 6.76_507.6993m/z 507.6993 6.76 58.5292 59.6786 64.2876 57.6734 49.9802 54.4756 6.82_500.1812m/z 500.1812 6.82 211.5814 176.0382 184.1748 199.2381 197.4880 207.2262 6.83_478.1989m/z 478.1989 6.83 973.4303 882.8687 903.2734 925.1207 906.4379 1068.1759 6.84_601.7786m/z 601.7786 6.84 135.3968 116.0012 107.7789 127.6829 121.2117 124.8305 6.85_758.3405m/z 758.3405 6.85 122.7389 109.5165 115.2745 106.0156 130.5202 94.7824 6.85_758.8362m/z 758.8362 6.85 86.0169 110.4296 93.4402 66.1358 84.0513 85.3413 6.86_640.3319m/z 640.3319 6.86 120.2574 142.6137 134.4035 143.7536 128.8028 138.6454 6.86_682.3660m/z 682.3660 6.86 76.8356 74.1378 73.1907 56.4830 65.3200 60.3777 6.86_682.8678m/z 682.8678 6.86 58.9885 58.2422 34.6886 52.2687 43.3975 51.0118 6.86_931.4948m/z 931.4948 6.86 127.4695 139.2703 92.8878 153.0799 186.8510 157.1150 6.88_930.9929m/z 930.9929 6.88 122.0003 183.6600 93.1351 182.4140 269.6127 213.7681 6.89_690.7963m/z 690.7963 6.89 382.2245 373.0644 377.1823 348.6238 355.3473 362.8427 6.89_691.2982m/z 691.2982 6.89 216.5819 201.1558 185.9711 203.5445 199.5515 180.4112 6.90_907.4485m/z 907.4485 6.90 136.1449 153.0717 141.4529 194.4039 157.8732 189.8328 6.98_820.4148m/z 820.4148 6.98 369.1255 362.9770 383.3954 366.6636 329.4533 378.7369 7.00_630.2884m/z 630.2884 7.00 463.8776 441.3039 429.8245 456.2596 414.2816 430.8701 7.00_630.7894m/z 630.7894 7.00 273.7223 273.4510 252.8900 260.8324 247.5169 265.0170 7.00_641.3103m/z 641.3103 7.00 322.3575 369.1742 349.3319 359.0526 344.0532 360.5033 7.00_641.8074m/z 641.8074 7.00 255.9117 230.7466 234.4724 230.0086 209.2740 210.1017 7.00_721.3815m/z 721.3815 7.00 475.5807 506.2967 525.9600 475.8983 488.5011 494.9076 7.00_721.8830m/z 721.8830 7.00 300.7905 338.7645 279.5116 297.6751 291.8248 320.1804 7.00_729.4086n 710.3907 7.00 2855.6945 2816.0120 2850.7820 2807.7298 2730.5087 2825.2283 7.00_729.9099n 710.8920 7.00 1735.2266 1741.6903 1773.6479 1721.2564 1646.8709 1723.1512 7.03_673.8037m/z 673.8037 7.03 1151.1579 1135.7225 1170.8996 1086.7670 1082.5360 1147.8790 7.03_674.3054m/z 674.3054 7.03 679.9291 627.4607 608.0790 624.9281 613.2468 590.5895 7.03_684.7933m/z 684.7933 7.03 271.3881 273.0028 240.0776 259.7249 242.0701 263.8784 7.03_685.2972m/z 685.2972 7.03 145.1406 125.1181 118.5715 122.5805 126.0032 108.4163 7.04_544.2028m/z 544.2028 7.04 41.9433 68.7498 46.0928 32.4415 45.4223 54.7860 7.05_196.0252m/z 196.0252 7.05 914.7189 866.7913 1008.2510 857.5892 895.6545 930.6373 7.05_723.3669m/z 723.3669 7.05 91.7770 116.8739 97.1831 99.0275 107.1094 86.8806 7.06_411.2615m/z 411.2615 7.06 278.6181 263.6107 282.5878 279.8250 290.9247 305.0413 7.06_757.8313m/z 757.8313 7.06 721.1004 710.2441 572.6676 579.5867 552.6380 584.8710 7.06_758.3333m/z 758.3333 7.06 458.0059 454.1996 361.4935 369.7390 318.5114 338.0950 7.06_766.8377m/z 766.8377 7.06 32118.3854 31895.6040 32050.6947 31477.1321 31701.4899 32725.1256 7.06_767.3389m/z 767.3389 7.06 20359.5790 20326.5945 20383.6730 19877.3074 20057.0058 20840.0668 7.06_777.8279m/z 777.8279 7.06 7518.8415 7401.8771 7590.4010 7258.1526 7236.6649 7592.5221 7.06_778.3295m/z 778.3295 7.06 4813.5649 4718.0070 4806.1758 4597.2856 4673.9860 4851.1445 7.06_785.8105m/z 785.8105 7.06 1917.3254 1892.8147 1899.1183 1792.6470 1839.9539 1952.3112 7.06_788.8189m/z 788.8189 7.06 2294.4337 2257.4405 2343.6347 2197.3357 2253.8343 2321.1224 7.06_789.3197m/z 789.3197 7.06 1474.4739 1502.1336 1537.7235 1408.0346 1441.5930 1520.3351 7.06_793.2928m/z 793.2928 7.06 1015.0539 991.2884 1018.9543 980.2537 940.8670 1026.7481 7.06_793.7945m/z 793.7945 7.06 896.3739 816.6283 855.8477 836.5567 779.5114 865.5560 7.06_796.8022m/z 796.8022 7.06 1685.5657 1721.2431 1682.4589 1685.0864 1695.2083 1741.4111 7.06_799.8060m/z 799.8060 7.06 953.8426 948.1531 931.4068 850.3509 918.8953 970.2888 7.06_800.3078m/z 800.3078 7.06 531.8076 554.8235 558.4361 522.7458 523.7400 552.7214 7.06_804.7857m/z 804.7857 7.06 605.9374 570.7967 602.2499 523.4729 563.8655 565.0135 7.06_805.3298n 786.3120 7.06 1852.9199 1717.1221 1762.2916 1714.5208 1719.3417 1768.6691 7.06_816.3210n 797.3032 7.06 1845.2326 1760.2505 1834.4489 1743.6301 1768.0758 1851.7396 7.06_826.8122n 807.7943 7.06 1161.2287 1186.3370 1145.6454 1090.6237 1098.1222 1113.2831 7.06_827.3115n 808.2937 7.06 1022.7751 1013.0098 939.2244 975.3460 1047.3594 989.3438 7.06_834.8059n 815.7880 7.06 1350.6333 1373.9614 1387.8771 1340.6374 1294.3656 1330.0583 7.06_849.8037n 830.7858 7.06 410.2649 388.3256 416.3043 418.6853 398.7204 409.6308 7.06_850.3053n 831.2875 7.06 286.4678 272.2977 248.3892 264.4466 259.2294 260.3767 7.06_857.7937n 838.7759 7.06 372.8111 355.5333 316.2636 361.6757 349.1557 407.8514 7.07_837.7763m/z 837.7763 7.07 90.6245 93.5706 74.2699 76.8518 79.5384 80.5203 7.07_838.2799m/z 838.2799 7.07 174.4957 163.5552 156.2182 151.6282 161.8410 122.0199 7.07_845.7996n 826.7817 7.07 582.5489 624.5079 590.6046 609.7243 581.4881 556.9789 7.11_134.9875m/z 134.9875 7.11 127.9516 120.6269 128.8049 133.1068 121.9937 144.4885 7.17_173.0822m/z 173.0822 7.17 131.4364 106.2668 122.7489 110.7885 114.2241 160.2897 C8H14O4 Suberic acid Suberic acid HMDB00893 MEDIUM 7.19_245.0483m/z 245.0483 7.19 305.7274 311.0790 338.6728 340.7810 291.4439 333.0793 7.19_294.0559m/z 294.0559 7.19 1844.0282 1883.4137 1907.9415 1926.5044 1851.1440 1923.7739 7.19_370.1862m/z 370.1862 7.19 90.0749 84.2961 95.0494 69.8636 87.4692 87.1028 7.19_741.3799m/z 741.3799 7.19 3272.9321 3334.4063 3336.1202 3312.8709 3206.2942 3398.0017 7.19_763.3602m/z 763.3602 7.19 632.5212 620.4519 621.1220 634.8042 585.8350 603.5069 7.19_959.4961m/z 959.4961 7.19 480.2617 458.8476 463.1262 470.5846 441.4136 456.9544 7.20_198.0228m/z 198.0228 7.20 165.0929 142.1529 159.5048 154.6254 158.9814 144.4981 7.20_617.3147m/z 617.3147 7.20 209.9172 226.5670 214.3284 228.7623 218.7674 227.2836 7.25_973.9942m/z 973.9942 7.25 559.3040 555.3458 536.4608 524.0654 532.3369 557.2941 7.25_974.4967m/z 974.4967 7.25 466.6539 476.0623 442.1028 457.2706 441.3034 424.2018 7.26_731.3191m/z 731.3191 7.26 7424.6453 7327.7286 7501.4094 7477.2141 7439.1379 7442.3542 7.26_731.8205m/z 731.8205 7.26 4648.5662 4593.9877 4678.7848 4655.8304 4588.6980 4646.7805 7.26_742.3105m/z 742.3105 7.26 1831.8712 1729.9780 1753.6047 1713.9339 1807.5919 1736.4161 7.26_742.8111m/z 742.8111 7.26 1084.4911 1092.3812 1084.7394 1083.8612 1114.8119 1098.7822 7.26_750.2926m/z 750.2926 7.26 379.9000 401.3879 408.6679 428.5761 395.1439 409.0551 7.26_753.2997m/z 753.2997 7.26 559.6839 548.8212 598.4469 590.4205 550.9731 567.2616 7.26_753.8011m/z 753.8011 7.26 394.1367 363.1460 362.8384 340.1183 331.4204 362.9232 7.26_757.7743m/z 757.7743 7.26 238.7960 194.3024 232.2929 227.6087 222.4560 218.2130 7.26_761.2836m/z 761.2836 7.26 336.5683 323.4017 334.8945 354.3491 345.5244 347.2904 7.26_764.2863m/z 764.2863 7.26 227.8643 213.7732 200.7614 191.3741 210.1985 207.5909 7.26_764.7878m/z 764.7878 7.26 136.3248 146.3473 119.7947 110.5284 132.3651 122.4790 7.26_769.2667m/z 769.2667 7.26 97.8365 88.6990 79.5355 89.4362 98.3235 80.1418 7.26_769.8111n 750.7933 7.26 328.3889 317.1712 345.3175 321.2257 329.6522 331.8353 7.26_772.2745m/z 772.2745 7.26 148.9524 140.4228 133.2250 146.0109 162.7371 136.7421 7.26_780.8009n 761.7830 7.26 266.7207 248.8473 248.3355 266.9648 253.6427 261.2732 7.27_758.2769m/z 758.2769 7.27 160.8697 137.3809 130.8603 146.4274 138.3346 135.7945 7.29_687.3223m/z 687.3223 7.29 909.9846 909.9790 897.9729 917.5777 871.3298 886.7983 7.29_709.3017m/z 709.3017 7.29 124.7103 134.1593 123.9935 143.9530 111.4675 139.7494 7.29_871.8661m/z 871.8661 7.29 1407.8660 1404.8710 1411.0177 1396.5240 1358.7926 1428.0552 7.29_872.3667m/z 872.3667 7.29 970.4088 989.1204 1023.4561 960.8216 965.4184 997.1585 7.29_882.8560m/z 882.8560 7.29 288.0400 321.3776 293.4142 283.3203 294.4806 283.7866 7.29_883.3559m/z 883.3559 7.29 193.1000 195.9191 181.1495 188.0836 203.3397 184.8593 7.30_201.0232m/z 201.0232 7.30 901.0736 883.6487 890.1347 910.3696 872.5036 871.8442 C9H8N4OS Thidiazuron MEDIUM 7.30_805.4592m/z 805.4592 7.30 158.2596 181.3340 180.4885 188.6280 194.2107 181.2343 7.32_970.4724m/z 970.4724 7.32 187.4350 182.4874 186.4688 179.9549 188.8162 197.1705 7.33_918.4498m/z 918.4498 7.33 354.8071 320.9896 324.0708 347.0195 339.0303 355.8440 7.33_969.9693m/z 969.9693 7.33 281.9578 238.5366 284.6179 271.3095 260.4268 275.3293 7.35_690.8112m/z 690.8112 7.35 76.5829 91.9326 62.8129 107.0158 75.7577 80.6208 7.35_691.3128m/z 691.3128 7.35 24.8786 32.5493 33.2330 31.7315 38.0052 25.0919 7.35_946.8856m/z 946.8856 7.35 378.8233 310.6397 321.4710 303.0322 322.5587 337.6593 7.35_947.3884m/z 947.3884 7.35 253.8980 228.1237 204.8319 215.8715 200.8542 221.0575 7.37_226.0172m/z 226.0172 7.37 146.7559 148.2145 139.2496 133.2323 142.0843 131.6765 7.38_747.3691m/z 747.3691 7.38 328.4217 286.3216 274.9282 275.6913 301.0391 283.3513 7.41_164.9276m/z 164.9276 7.41 74.8670 79.8478 81.5399 75.8201 74.8792 77.3203 7.41_465.7080m/z 465.7080 7.41 312.3163 297.4610 350.5999 301.4013 315.1322 358.4945 7.41_660.2806m/z 660.2806 7.41 295.6619 287.4666 272.1532 271.1730 276.7144 300.7779 7.41_660.7818m/z 660.7818 7.41 186.3976 178.8997 204.7993 205.3330 200.8283 176.7254 7.41_671.7742m/z 671.7742 7.41 34.7201 45.8171 49.2754 42.0902 29.5567 38.5641 7.42_466.2094m/z 466.2094 7.42 131.9807 147.6392 132.9640 125.6803 135.5405 136.1355 7.42_672.7856m/z 672.7856 7.42 78.3727 65.2057 59.9446 56.4915 64.9444 58.4469 7.42_932.4233m/z 932.4233 7.42 339.6637 311.1575 354.0035 331.6886 315.6455 351.1873 7.43_121.0299m/z 121.0299 7.43 400.3749 395.6076 427.8655 382.6003 398.1813 403.0978 C7H6O2 Benzoic acid Benzoic acid 30746 MEDIUM 7.43_184.9503m/z 184.9503 7.43 405.4855 365.3677 398.7088 397.9851 380.1601 403.7873 7.43_189.0173m/z 189.0173 7.43 224.8001 212.6961 226.5157 213.4447 216.9754 206.7935 C8H7NaO4 Sodium dehydroacetate MEDIUM 7.43_250.9877m/z 250.9877 7.43 738.8074 700.4547 757.3227 721.7373 721.4987 737.1818 7.43_266.0216m/z 266.0216 7.43 59.8993 56.8163 55.2392 51.2928 47.2517 62.3052 7.43_300.0056m/z 300.0056 7.43 122.7677 109.2918 115.1372 107.8801 124.9138 104.8559 7.43_311.9559m/z 311.9559 7.43 53.8272 44.3879 47.7715 40.8355 49.0359 46.7690 7.43_589.3111m/z 589.3111 7.43 712.8450 716.5050 673.8525 578.5694 599.1608 573.5407 7.43_589.8127m/z 589.8127 7.43 439.3674 449.3702 419.4204 368.7469 375.2760 300.2247 7.43_593.7809m/z 593.7809 7.43 56.7094 82.7353 59.9990 54.9330 64.9922 29.0454 7.43_595.3091m/z 595.3091 7.43 113.7558 121.0009 113.2314 79.2158 86.3466 92.5850 7.43_600.3000m/z 600.3000 7.43 169.0727 203.5789 187.0739 177.3313 170.9896 193.3088 7.43_600.8019m/z 600.8019 7.43 107.6037 147.0474 129.4564 121.9121 129.9183 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7.43 219.5984 198.8693 214.8415 210.9623 231.3458 205.4489 7.43_654.7942n 635.7763 7.43 609.1714 631.5644 657.9666 621.6365 600.3336 617.4376 7.43_665.3078n 646.2899 7.43 290.7375 297.7370 316.2306 289.2210 304.1755 313.5180 7.43_671.2714m/z 671.2714 7.43 134.7064 118.6882 137.8556 105.3882 118.1327 108.4429 7.43_675.2800m/z 675.2800 7.43 33.7978 15.8181 32.7688 22.9189 44.2505 29.3762 7.43_676.3108m/z 676.3108 7.43 63.2817 57.6346 73.5499 56.8852 60.7816 68.4275 7.43_676.8217m/z 676.8217 7.43 22.6448 59.3755 48.9925 48.7300 38.6785 23.8197 7.44_255.0075m/z 255.0075 7.44 142.4247 166.7610 148.0787 139.7870 154.5022 154.3623 7.44_318.9777m/z 318.9777 7.44 145.3773 139.9975 150.9463 136.1419 124.5077 153.1459 7.44_574.3039m/z 574.3039 7.44 62.2175 66.7792 58.5687 54.8768 48.2494 45.4684 7.44_595.8112m/z 595.8112 7.44 77.1687 70.7308 69.9871 65.0341 71.6906 67.6143 7.44_608.7869m/z 608.7869 7.44 151.2168 140.3963 160.7204 134.7811 147.1014 153.9754 7.44_665.8084n 646.7906 7.44 217.0127 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365.4098 324.9102 8.50_576.2438n 557.2260 8.50 625.1660 645.1703 648.4847 657.9567 611.2732 625.0920 8.51_511.2597m/z 511.2597 8.51 217.5323 264.6520 216.6373 243.0331 230.1044 211.6415 8.51_511.7621m/z 511.7621 8.51 140.8380 132.7918 108.6084 128.4310 117.6719 114.0039 8.54_188.1049n 187.0977 8.54 955.7428 949.7111 940.7359 891.2767 936.3563 1033.0611 C9H16O4 Azelaic Acid Azelaic acid 48131 MEDIUM 8.54_209.0795m/z 209.0795 8.54 231.3129 231.3357 240.8174 189.6827 227.2163 250.0324 8.54_488.6907m/z 488.6907 8.54 86.6381 76.2769 86.5834 74.2382 85.4929 94.6428 8.54_803.3952m/z 803.3952 8.54 798.5980 840.0592 840.6179 843.9482 815.5250 817.5505 8.60_164.9271m/z 164.9271 8.60 110.9561 109.4869 107.5000 96.7127 105.7295 104.1648 8.65_274.1325n 255.1147 8.65 302.7026 299.2660 311.9312 311.2214 321.4193 334.3631 8.65_967.5402m/z 967.5402 8.65 786.6488 902.0375 924.7602 919.6529 794.4860 845.4106 8.66_246.0756m/z 246.0756 8.66 8771.1732 9025.9187 8987.6532 8901.6866 8870.0375 9316.9968 C8H15N3O7 Streptozocin 9288 MEDIUM 8.66_246.5771m/z 246.5771 8.66 1830.7759 1896.0208 1861.2048 1852.6086 1797.3268 1929.5910 8.66_395.1895m/z 395.1895 8.66 691.5321 742.9703 784.6673 730.7628 759.4640 799.3105 8.67_918.5309m/z 918.5309 8.67 243.8911 275.5237 238.7247 293.3135 256.2380 246.7088 8.68_280.0699m/z 280.0699 8.68 166.2698 190.3452 206.4768 197.2684 177.1315 210.2444 8.68_981.9802m/z 981.9802 8.68 295.5325 300.8826 291.6229 286.8455 279.4160 291.2998 8.68_982.4796m/z 982.4796 8.68 172.3384 172.1983 194.5104 145.6760 176.9256 179.3207 8.69_383.1538m/z 383.1538 8.69 1350.5136 1322.5819 1343.1143 1364.6997 1378.2128 1385.7048 8.69_515.1386m/z 515.1386 8.69 330.9667 332.0959 383.9391 362.9167 363.6375 386.0542 8.69_696.7711m/z 696.7711 8.69 91.0049 86.6576 112.1195 98.8778 84.1677 85.8798 8.69_697.2705m/z 697.2705 8.69 21.2170 42.4330 34.6163 34.7159 25.7763 37.1551 8.69_891.4975m/z 891.4975 8.69 3429.1824 3338.1029 3338.5418 3318.6573 3325.3407 3436.8471 8.69_891.9992m/z 891.9992 8.69 2514.8482 2549.8768 2499.6926 2474.7642 2456.2143 2615.5003 8.69_902.9892m/z 902.9892 8.69 200.5758 176.9795 161.7579 181.5010 174.4007 173.3018 8.69_925.4885m/z 925.4885 8.69 137.7447 174.5068 154.9635 186.0185 143.1425 171.4482 8.69_925.9920m/z 925.9920 8.69 103.5441 117.9737 113.1624 101.5051 121.4329 112.6166 8.69_970.5321m/z 970.5321 8.69 438.8206 376.3361 354.0893 344.7213 463.8729 368.2808 8.70_385.1695m/z 385.1695 8.70 3656.2631 3819.7958 3829.4073 3845.1670 3854.7399 4029.3729 8.70_453.1566m/z 453.1566 8.70 106.9495 127.9987 132.7496 122.7639 126.6494 120.9645 8.70_902.4886m/z 902.4886 8.70 258.1109 252.8585 259.7212 250.0237 270.5477 243.3800 8.70_971.0329m/z 971.0329 8.70 446.3989 442.1605 427.4317 475.5992 451.1667 434.3559 8.72_171.1031m/z 171.1031 8.72 554.0824 509.0299 543.1589 503.9648 562.2419 526.0710 8.75_617.7400m/z 617.7400 8.75 75.7978 59.4800 65.9623 66.5516 75.8843 73.3982 8.75_824.9136m/z 824.9136 8.75 415.1710 421.0687 425.4107 429.1604 418.3533 392.3883 8.75_825.4138m/z 825.4138 8.75 293.2852 300.6945 317.2139 321.2687 275.2140 277.2977 8.80_688.2649m/z 688.2649 8.80 31.1855 57.1639 52.9686 45.0322 49.1020 30.7757 8.80_696.7730m/z 696.7730 8.80 9890.4669 10153.7669 10307.0627 10122.3228 9895.5902 10320.9737 8.80_697.2738m/z 697.2738 8.80 6161.6536 6449.1966 6426.8594 6394.2843 6118.5463 6464.7047 8.80_707.7631m/z 707.7631 8.80 2079.4891 2119.7534 2202.6963 2144.3988 2036.4648 2127.7977 8.80_708.2640m/z 708.2640 8.80 1209.8437 1289.6378 1320.7726 1314.4377 1217.6371 1322.4865 8.80_715.7453m/z 715.7453 8.80 482.3933 511.4866 526.3584 467.3747 471.8230 508.5007 8.80_718.7539m/z 718.7539 8.80 798.2483 812.8793 845.2810 820.9323 741.0483 832.1434 8.80_719.2555m/z 719.2555 8.80 404.0351 438.4832 418.4031 447.8265 400.4983 465.2501 8.80_723.7290m/z 723.7290 8.80 212.1624 209.2056 237.5844 217.4369 198.7051 202.7999 8.80_726.7385m/z 726.7385 8.80 581.8146 584.4097 542.7705 580.9078 535.6027 546.8901 8.80_735.2654n 716.2475 8.80 339.7369 340.4139 388.4091 381.4205 364.0271 366.7370 8.80_737.7269m/z 737.7269 8.80 224.5563 225.5036 209.8721 238.3624 195.6702 214.8112 8.80_742.2458n 723.2280 8.80 274.4862 259.1187 258.0495 284.2857 239.6396 258.4221 8.80_746.2549n 727.2370 8.80 309.9716 338.0265 334.9572 297.3362 277.2832 321.6324 8.80_749.7241m/z 749.7241 8.80 57.4989 52.2331 66.2511 62.2243 81.6987 46.8055 8.80_753.7389n 734.7211 8.80 167.8390 183.4463 191.6889 174.5416 140.7575 174.1837 8.82_385.1696m/z 385.1696 8.82 6347.9205 6443.3487 6657.2766 6480.6404 6544.4737 6662.8350 8.82_453.1563m/z 453.1563 8.82 189.1552 194.4207 209.5049 190.1288 176.1312 155.0431 8.82_687.7643m/z 687.7643 8.82 92.4218 115.1783 116.9258 117.7888 76.1188 86.5322 8.85_361.2232m/z 361.2232 8.85 1227.0476 1236.1837 1313.2361 1224.8178 1254.8097 1227.0662 8.86_331.1304m/z 331.1304 8.86 302.2692 316.7304 301.1211 289.9230 287.5007 322.3475 8.86_609.2301m/z 609.2301 8.86 86.6136 68.9301 65.8808 49.3888 52.6140 61.7101 8.86_636.7113m/z 636.7113 8.86 433.6419 421.8891 441.1670 458.5595 428.2604 417.8596 8.86_644.6977m/z 644.6977 8.86 163.4902 171.9850 167.2989 159.4996 149.5802 167.3199 8.87_608.7336m/z 608.7336 8.87 121.4324 131.7425 99.3637 101.2030 97.3600 113.0193 8.87_617.7383m/z 617.7383 8.87 8514.3617 8451.9174 8583.2876 8208.2722 8445.0337 8907.6141 8.87_618.2388m/z 618.2388 8.87 5174.1183 5168.2197 5170.1622 4995.9748 5113.2510 5335.9262 8.87_628.7295m/z 628.7295 8.87 1884.9907 1916.4662 1973.8603 1845.0667 1828.9467 2020.6184 8.87_629.2294m/z 629.2294 8.87 1123.5739 1153.5630 1140.7039 1092.3823 1085.5220 1154.0353 8.87_639.7205m/z 639.7205 8.87 781.7570 780.5364 844.5079 722.5667 779.9719 760.8320 8.87_640.2207m/z 640.2207 8.87 393.7338 398.3612 389.4267 375.3841 385.0745 369.0558 8.87_644.1944m/z 644.1944 8.87 195.1680 199.1353 178.6610 202.2131 226.7662 196.5246 8.87_647.7037m/z 647.7037 8.87 398.7873 321.8596 388.2325 365.7340 368.3710 377.5536 8.87_648.2053m/z 648.2053 8.87 253.6826 281.2074 278.4866 240.5728 246.4167 252.9676 8.87_656.2299n 637.2121 8.87 298.0551 282.3531 282.4311 271.4813 276.8243 281.7872 8.87_669.7244n 650.7066 8.87 273.0644 272.8915 252.1049 248.7812 247.3499 257.4941 8.87_674.7060n 655.6881 8.87 125.6793 95.8360 109.4866 109.9578 85.1424 102.8771 8.90_255.1142m/z 255.1142 8.90 322.9707 294.4630 298.1985 321.5971 309.8255 355.0504 8.92_249.0294m/z 249.0294 8.92 433.4976 432.1174 448.5097 456.1965 476.3355 458.3417 8.92_405.1769m/z 405.1769 8.92 243.3582 258.6593 270.3524 255.4228 250.4812 263.7890 8.94_232.0596m/z 232.0596 8.94 1453.1882 1553.9376 1525.7073 1479.7542 1449.8802 1570.4786 8.94_232.5610m/z 232.5610 8.94 161.6195 176.8120 168.3070 182.7522 164.9146 153.5731 8.94_239.9031m/z 239.9031 8.94 941.3453 907.1777 973.9031 907.0112 976.8697 971.2021 8.95_413.1430m/z 413.1430 8.95 73.9946 83.4852 84.8077 68.7128 80.4551 77.2117 8.96_237.0232m/z 237.0232 8.96 376.6777 370.3382 378.7608 392.8072 390.2404 360.3279 8.96_237.0775m/z 237.0775 8.96 39.3477 45.6239 30.9687 44.6198 37.2776 46.2522 8.96_345.1560m/z 345.1560 8.96 830.8863 871.2315 854.6235 810.5069 798.6053 860.4770 8.96_387.1836m/z 387.1836 8.96 484.2185 467.4857 495.0677 488.5395 479.7839 473.0891 8.96_439.1612m/z 439.1612 8.96 224.4157 237.7529 218.4825 212.3186 230.0902 209.8383 8.96_884.4168m/z 884.4168 8.96 788.4086 782.1935 733.0657 746.0967 762.6651 770.6994 8.96_884.9178m/z 884.9178 8.96 541.7691 573.3762 540.1031 533.6185 535.2052 581.4256 8.96_895.9089m/z 895.9089 8.96 64.0343 80.8578 64.1606 81.3822 75.7402 67.6128 9.00_226.9630m/z 226.9630 9.00 85.2743 77.7509 88.7599 87.2821 93.5938 87.8488 9.00_310.9280m/z 310.9280 9.00 104.7856 103.0810 114.8082 100.8933 98.3721 93.9201 9.01_108.9888m/z 108.9888 9.01 137.5564 130.4256 142.2867 117.8092 130.7343 128.8584 9.02_421.0602m/z 421.0602 9.02 264.9999 305.2019 303.9578 295.1747 293.0651 287.1914 9.04_233.5682m/z 233.5682 9.04 94.1532 70.4378 96.4006 72.6585 70.3102 66.6187 9.08_132.9797m/z 132.9797 9.08 41.9301 40.4912 50.1165 49.1677 44.4475 50.6631 9.08_240.0882m/z 240.0882 9.08 49.0844 45.3896 50.5293 46.8706 51.4145 47.3664 9.08_255.1140m/z 255.1140 9.08 2494.3820 2412.7170 2440.2718 2506.9177 2531.7826 2646.5952 9.08_321.0855m/z 321.0855 9.08 237.4583 202.8729 200.6557 202.5411 213.9149 219.2810 9.08_328.8807m/z 328.8807 9.08 131.5247 112.4571 121.5671 115.3779 127.9795 114.4454 9.08_716.8535m/z 716.8535 9.08 9878.8271 9792.4514 9717.9069 9704.0441 9604.8280 9790.8376 9.08_717.3546m/z 717.3546 9.08 6180.6201 6145.8436 6129.7902 6045.4449 5915.2719 6229.0319 9.08_727.8435m/z 727.8435 9.08 2162.0463 2175.7435 2075.2102 2021.6242 2046.1840 2117.3401 9.08_728.3454m/z 728.3454 9.08 1355.4822 1303.6798 1310.4741 1262.3188 1327.6781 1343.2822 9.08_735.8261m/z 735.8261 9.08 468.2970 466.9045 460.8674 453.6783 473.0786 458.2191 9.08_738.8337m/z 738.8337 9.08 778.4568 756.7726 760.9651 712.6496 711.3586 720.5643 9.08_739.3363m/z 739.3363 9.08 436.6932 437.3854 422.8790 421.6007 404.3355 437.8318 9.08_743.3072m/z 743.3072 9.08 277.4357 266.7312 266.0921 289.8654 298.9952 267.7739 9.08_743.8096m/z 743.8096 9.08 230.7695 227.8046 212.0311 220.2151 212.2553 244.5056 9.08_755.3450n 736.3271 9.08 369.2927 384.4262 355.3414 366.6244 380.2212 390.8774 9.08_758.8007m/z 758.8007 9.08 164.0944 170.5507 122.5052 155.1327 170.1919 169.8697 9.08_765.8345n 746.8166 9.08 122.5412 108.2416 118.9661 108.9893 98.0659 112.3063 9.08_766.8281n 747.8103 9.08 571.5754 623.2980 614.6411 594.4293 582.9929 560.7198 9.09_216.0468m/z 216.0468 9.09 82.3347 59.2687 72.3192 57.1372 55.1371 78.9957 9.09_272.0996m/z 272.0996 9.09 84.1170 91.2936 89.5723 84.0701 82.7537 84.3974 9.09_345.1552m/z 345.1552 9.09 312.9445 306.4103 318.5882 314.9409 320.6438 303.6346 9.10_253.0411m/z 253.0411 9.10 635.5335 680.3117 692.1659 695.6303 675.3430 737.3978 9.10_289.0411m/z 289.0411 9.10 658.2596 700.3307 664.5614 689.2899 647.3327 691.3633 9.10_310.9282m/z 310.9282 9.10 101.4862 75.5088 100.1520 96.0780 105.4158 95.6821 9.11_224.0621m/z 224.0621 9.11 89082.9481 94202.8128 96782.9591 94832.8150 93328.5887 98295.2546 9.11_224.5637m/z 224.5637 9.11 17540.3524 18786.9772 19118.4046 18669.5451 18286.2969 19594.5130 9.11_351.1639m/z 351.1639 9.11 15580.5514 16776.5745 17297.4191 17891.4125 17679.7026 18218.1204 9.11_96.9607m/z 96.9607 9.11 367.2588 373.4697 397.0024 382.5116 391.4092 409.7337 H2O4S Sulfuric acid Trichilin A 26836 MEDIUM 9.12_224.1855m/z 224.1855 9.12 263.3576 332.8973 295.0034 335.9845 237.3912 103.7749 9.12_253.5423m/z 253.5423 9.12 43.0516 57.0619 50.3533 44.7162 26.5012 40.5241 9.12_258.0559m/z 258.0559 9.12 1814.9277 1878.7770 1896.1495 1861.6396 1868.6428 1928.5546 9.12_289.5424m/z 289.5424 9.12 125.3125 149.9558 125.0004 138.4175 119.2511 147.8174 9.12_331.1302m/z 331.1302 9.12 519.0813 525.8339 512.6934 525.4049 528.1850 530.6261 9.12_449.1309m/z 449.1309 9.12 1864.9015 1992.1346 2093.4845 2076.8932 2053.4858 2129.3619 9.12_471.1129m/z 471.1129 9.12 8510.8770 8932.7802 9267.1031 9255.4084 9199.3997 9347.0742 9.12_539.0995m/z 539.0995 9.12 407.7493 459.5667 438.4072 453.5869 477.3642 478.6685 9.13_258.5576m/z 258.5576 9.13 357.1524 389.0662 401.6571 399.5680 397.7973 417.9057 9.13_292.0486m/z 292.0486 9.13 124.9927 123.3215 135.7135 143.5456 143.3809 127.6361 9.13_335.1319m/z 335.1319 9.13 471.0723 476.8689 484.3406 491.4124 541.1223 530.2438 9.13_387.1847m/z 387.1847 9.13 582.1819 592.3061 608.2385 580.2584 599.0589 583.9991 9.14_480.7205m/z 480.7205 9.14 741.4598 760.5887 786.5158 836.3062 785.5744 787.9753 9.14_481.2221m/z 481.2221 9.14 354.0481 381.3571 418.0114 402.9859 406.4685 387.7828 9.14_491.7106m/z 491.7106 9.14 125.0934 138.0592 153.2656 156.4564 140.5488 130.4179 9.14_492.2122m/z 492.2122 9.14 55.1136 55.2891 60.7616 70.4997 67.8265 30.4410 9.14_499.6956m/z 499.6956 9.14 68.5879 88.1919 69.2956 93.7113 85.9091 59.1737 9.14_503.2028m/z 503.2028 9.14 26.1423 40.9665 29.7172 47.7597 38.7107 41.6258 9.14_962.4490m/z 962.4490 9.14 3027.8705 2954.4669 3048.2829 3008.5016 2955.0542 2944.3094 9.14_984.4293m/z 984.4293 9.14 490.3980 475.5035 481.0690 483.2400 478.6637 449.4826 9.15_209.0819m/z 209.0819 9.15 638.3019 682.2710 673.1835 699.0408 679.3418 656.7581 C11H14O4 "3-(2,5-Dimethoxyphenyl)propionic acid" "3-(2,5-dimethoxyphenyl)propanoicacid" MEDIUM 9.15_226.5626m/z 226.5626 9.15 15.4204 12.2119 13.7702 14.5631 7.7162 18.0049 9.15_277.0688m/z 277.0688 9.15 82.6529 113.7880 123.4371 117.1519 116.7332 96.7764 9.15_339.0398m/z 339.0398 9.15 134.3179 150.9013 143.4608 130.4619 145.5220 124.3312 9.15_632.3406m/z 632.3406 9.15 146.2944 162.5516 165.3888 177.7658 193.4787 180.5051 9.16_632.8409m/z 632.8409 9.16 125.3117 130.3722 111.1109 113.6865 106.8811 108.4265 9.17_108.9894m/z 108.9894 9.17 95.6360 84.5678 84.7108 82.6861 91.3897 81.4641 9.17_309.1029m/z 309.1029 9.17 105.8652 138.0132 137.1064 140.7275 135.9188 127.2139 9.17_487.9757m/z 487.9757 9.17 214.6679 173.7162 165.3236 204.1443 188.5398 208.4352 9.18_159.1025m/z 159.1025 9.18 126.0236 117.0661 117.2645 116.7084 117.1762 104.8247 9.18_413.1634m/z 413.1634 9.18 213.3900 217.5930 198.8163 219.4028 217.1906 193.3525 C23H28O8 Salvinorin A MEDIUM 9.18_421.0599m/z 421.0599 9.18 1251.7061 1281.6600 1251.4847 1277.7831 1252.7268 1265.3902 9.19_227.0383m/z 227.0383 9.19 366.0596 365.3029 351.9019 379.7462 369.4530 370.7151 9.19_495.2230m/z 495.2230 9.19 326.6211 318.4408 315.5173 345.2544 317.0231 337.0321 9.22_294.8981m/z 294.8981 9.22 33.3202 48.1657 34.8078 32.8649 52.1750 31.7754 9.22_589.3003m/z 589.3003 9.22 150.0849 146.1839 191.6023 188.0758 160.5191 223.2195 9.24_207.0661m/z 207.0661 9.24 5326.5916 5444.9283 5497.6038 5385.9514 5322.0251 5366.9372 C11H12O4 Monoisopropyl phthalate 35118-50-4 HIGH 9.24_275.0535m/z 275.0535 9.24 734.4626 743.2533 776.9788 739.6409 716.7062 742.3759 9.24_339.0891m/z 339.0891 9.24 59.4798 90.7063 98.6778 85.0034 98.2859 97.1271 9.24_356.0421n 337.0243 9.24 403.0690 391.8310 390.3278 391.2006 430.5705 369.0227 9.25_135.0816m/z 135.0816 9.25 148.9432 156.6503 173.5080 152.1082 162.6104 159.5095 C9H12O 2-Isopropylphenol 38506 MEDIUM 9.25_194.9102m/z 194.9102 9.25 181.5514 183.6182 201.7109 181.9136 178.3272 166.2886 9.25_352.0865m/z 352.0865 9.25 347.9721 348.1761 300.5410 298.0170 360.4044 340.2827 9.27_702.3817m/z 702.3817 9.27 347.5708 326.0962 347.8265 321.6337 326.5237 337.6237 9.28_591.3164m/z 591.3164 9.28 114.5334 122.2220 145.7314 151.0767 143.5349 169.7013 9.30_278.9050m/z 278.9050 9.30 30.3359 61.8980 58.6336 59.9727 52.9271 59.1041 9.32_361.2228m/z 361.2228 9.32 212.7971 224.1020 224.8299 225.3716 231.9848 234.7169 9.32_943.9997m/z 943.9997 9.32 13829.3453 14136.2685 14372.9677 14194.1661 14004.5358 14321.9402 9.32_944.5009m/z 944.5009 9.32 10465.1138 10943.3605 11090.4196 10649.7063 10702.7890 11057.7301 9.32_954.9895m/z 954.9895 9.32 3042.5035 3165.0289 3225.0873 3050.5302 3082.1057 3187.3665 9.32_962.9733m/z 962.9733 9.32 643.6832 711.5436 690.5680 687.5081 670.4812 687.1307 9.32_965.9808m/z 965.9808 9.32 1087.6551 1144.3034 1135.3138 1067.1171 1139.3340 1058.9742 9.32_966.4818m/z 966.4818 9.32 820.3828 826.5613 885.7561 868.4339 875.7937 853.2141 9.32_970.9559m/z 970.9559 9.32 363.1581 393.4785 364.8497 387.8756 374.7001 379.9463 9.32_974.5091n 955.4912 9.32 2386.5856 2458.1652 2462.9205 2416.7508 2364.3213 2430.1574 9.32_975.4623m/z 975.4623 9.32 405.3264 422.4556 424.8506 379.1179 449.9468 389.4217 9.32_982.4922n 963.4744 9.32 609.8366 597.6323 611.6906 573.3613 588.9267 581.3481 9.32_989.4719n 970.4541 9.32 461.5918 514.8083 464.1561 477.6519 455.7130 438.0553 9.32_992.9844n 973.9666 9.32 205.8465 167.5296 187.1091 180.9839 211.9076 180.0729 9.32_993.4836n 992.4475 9.32 406.5347 416.2882 410.9694 376.0666 414.3198 414.7552 9.32_993.9766n 974.9588 9.32 1156.8243 1212.9925 1243.8201 1073.1362 1161.9074 1109.0283 9.35_849.0507m/z 849.0507 9.35 489.5985 477.7903 499.9772 473.7343 488.4501 503.8821 9.35_849.3844m/z 849.3844 9.35 499.3635 469.6363 466.0648 479.0327 449.3200 515.0504 9.35_849.7175m/z 849.7175 9.35 341.2195 369.2465 413.1794 438.5952 376.8001 396.3780 9.35_856.3785m/z 856.3785 9.35 109.2383 138.1104 152.8211 130.5843 121.3116 153.0290 9.35_856.7092m/z 856.7092 9.35 187.1824 166.4192 233.4567 200.4029 171.5417 187.7653 9.35_857.0460m/z 857.0460 9.35 112.5860 99.3568 102.6222 110.6187 90.5366 94.1985 9.36_666.7999m/z 666.7999 9.36 236.7696 246.6989 224.6058 235.0824 244.7789 230.2285 9.36_667.3017m/z 667.3017 9.36 105.6562 97.0931 113.8177 103.1389 106.7193 107.4331 9.38_277.1081m/z 277.1081 9.38 349.4278 336.6667 361.1773 380.9330 361.5153 403.5509 C15H18O5 Coriamyrtin MEDIUM 9.38_429.1943m/z 429.1943 9.38 181.9830 205.5687 194.4953 188.0722 185.7585 185.6509 9.39_195.9125m/z 195.9125 9.39 31.0941 34.5276 31.2444 26.4579 38.2458 43.5449 9.39_696.3336m/z 696.3336 9.39 259.8006 292.2662 241.6580 282.3611 269.9592 269.8260 9.40_969.1464m/z 969.1464 9.40 425.4644 444.1878 456.3675 428.1195 421.8320 432.1107 9.40_969.4818m/z 969.4818 9.40 451.6162 411.9480 429.2235 423.9867 430.2022 417.5293 9.40_969.8157m/z 969.8157 9.40 281.6412 272.6859 275.6988 243.0718 244.9971 296.6702 9.40_977.1381m/z 977.1381 9.40 93.8760 81.6221 77.6886 62.3853 88.2894 96.3323 9.41_108.9891m/z 108.9891 9.41 94.0598 100.3070 97.5054 87.0578 87.9352 91.8278 9.41_352.0864m/z 352.0864 9.41 273.8726 283.8449 281.7226 283.8030 344.0109 333.3811 9.43_239.0894m/z 239.0894 9.43 198.0721 205.3783 230.1594 225.4859 221.8609 218.9353 9.43_361.2224m/z 361.2224 9.43 276.7943 268.1403 283.7739 264.3007 270.3460 272.0431 9.49_157.0867m/z 157.0867 9.49 126.7140 128.2102 131.8119 127.5734 130.6542 138.7965 9.49_508.2772m/z 508.2772 9.49 364.7976 350.0838 389.8654 372.4040 359.2407 380.8406 9.52_462.1767m/z 462.1767 9.52 1891.0651 1834.0812 1846.1920 1865.4717 1872.8785 1832.6532 9.52_530.1635m/z 530.1635 9.52 162.9386 167.2012 160.5671 169.6493 187.5745 181.8162 9.53_225.0680m/z 225.0680 9.53 14141.2819 14923.3426 15239.5047 14643.4334 14830.1807 15256.1873 C10H16N2O3S Biotin Biotin 15956 MEDIUM 9.53_526.2125m/z 526.2125 9.53 1137.0252 1154.6154 1197.2672 1117.4189 1153.7545 1209.4939 9.53_526.7153m/z 526.7153 9.53 545.7808 568.4302 594.5065 568.5009 538.0050 570.1048 9.53_827.4453m/z 827.4453 9.53 132.2157 122.3895 100.9299 116.9305 117.0383 122.0232 9.53_827.9461m/z 827.9461 9.53 81.4136 90.2486 61.6059 71.0406 97.5290 71.9457 9.54_108.9892m/z 108.9892 9.54 135.2356 116.4917 138.5458 116.8907 116.9657 126.0208 9.54_225.5706m/z 225.5706 9.54 2215.2533 2328.1484 2412.1607 2326.8700 2325.4835 2414.9885 9.54_353.1773m/z 353.1773 9.54 697.1515 774.2785 875.0887 803.4802 832.1380 862.8466 9.54_473.1266m/z 473.1266 9.54 513.9190 530.6098 545.3418 551.4729 572.3327 570.3399 9.54_560.2045m/z 560.2045 9.54 70.2212 75.8592 79.5596 82.5231 79.6608 73.4861 9.55_361.2228m/z 361.2228 9.55 970.3240 946.1102 1042.3627 945.7016 971.8507 974.3258 9.55_383.1533m/z 383.1533 9.55 17145.8225 17483.9913 17972.1724 17635.8267 18015.5953 18218.9762 9.55_451.1405m/z 451.1405 9.55 815.4125 797.1377 814.1535 773.2955 847.1662 787.5752 9.55_513.1104m/z 513.1104 9.55 138.1822 128.8761 128.7350 129.7559 136.2338 143.0575 9.56_319.1666m/z 319.1666 9.56 38.6834 40.5743 43.9993 38.6454 37.0099 28.4052 9.58_919.7749m/z 919.7749 9.58 108.1319 113.2793 91.4193 119.7795 117.3145 131.9907 9.58_920.1099m/z 920.1099 9.58 105.1045 98.8620 113.3171 108.7363 105.2426 104.2797 9.59_294.9141m/z 294.9141 9.59 80.4260 60.5494 66.3965 46.5291 72.3989 47.0223 9.61_445.1899m/z 445.1899 9.61 411.4835 425.0044 393.5572 403.3355 415.5119 393.9902 C24H32O9 Estriol-16-Glucuronide HMDB06766 MEDIUM 9.62_917.1135m/z 917.1135 9.62 488.7496 497.0741 540.4877 521.1122 489.5751 500.2709 9.62_917.4494m/z 917.4494 9.62 557.7428 547.6964 586.3964 565.8542 566.7080 565.0219 9.62_917.7830m/z 917.7830 9.62 322.7086 335.1271 367.0623 324.6243 307.8304 347.9466 9.62_924.7740m/z 924.7740 9.62 139.3560 151.1875 179.9244 188.7134 137.1685 166.1221 9.62_925.1110m/z 925.1110 9.62 110.8491 107.0806 130.4714 128.6231 139.7287 134.9750 9.64_188.8944m/z 188.8944 9.64 159.8789 134.3873 169.2551 141.8640 131.4763 158.9653 9.64_245.5690m/z 245.5690 9.64 249.0775 211.2153 186.0884 186.9321 193.1117 182.9385 9.65_245.0671m/z 245.0671 9.65 2541.9570 2220.9984 2164.2723 2119.8237 2079.4770 2141.8964 9.65_429.1969m/z 429.1969 9.65 224.5904 236.4172 234.2197 248.5046 227.1216 238.2012 9.66_132.9814m/z 132.9814 9.66 83.6151 87.5621 96.2261 81.1189 93.0552 91.8925 9.66_220.9412m/z 220.9412 9.66 293.0796 317.8663 324.4401 306.8516 320.0094 286.4301 9.66_222.9392m/z 222.9392 9.66 250.7542 246.3655 227.3114 232.3412 252.1339 230.0597 9.66_229.0541m/z 229.0541 9.66 3528.1136 3657.0834 3581.0028 3639.7755 3510.5509 3672.1174 9.68_192.9903m/z 192.9903 9.68 111.9271 104.2502 122.8174 100.1716 112.3433 104.2597 9.68_361.2233m/z 361.2233 9.68 733.9707 720.7713 731.1710 674.8402 733.2342 700.4720 9.70_759.3849m/z 759.3849 9.70 210.0952 182.7286 189.2238 183.7605 182.8111 179.5754 9.70_759.8858m/z 759.8858 9.70 82.2545 119.0819 91.3074 104.7272 103.7641 95.0915 9.70_917.9126m/z 917.9126 9.70 96.1718 125.9695 110.9917 98.8824 105.4491 94.5694 9.70_918.4152m/z 918.4152 9.70 43.7533 56.9355 67.4749 56.0260 42.8556 64.0013 9.71_299.0499m/z 299.0499 9.71 81.5688 84.9256 73.9920 79.4112 81.4599 84.1252 9.71_319.0501m/z 319.0501 9.71 506.2421 476.9082 503.7031 502.4673 454.2951 541.4638 9.71_325.0673m/z 325.0673 9.71 449.9978 430.4446 441.5363 425.7872 416.4721 446.7016 9.71_365.0548m/z 365.0548 9.71 237.0682 259.2593 248.5656 224.1139 273.4446 247.6826 9.71_387.0377m/z 387.0377 9.71 207.7190 189.4183 181.0775 172.4628 203.6488 184.2005 9.72_191.1077m/z 191.1077 9.72 366.8328 353.7054 357.1157 360.5924 356.3863 366.1307 9.72_202.1203n 201.1133 9.72 210.6559 180.7624 221.2122 185.5204 195.3310 206.7050 C10H18O4 Sebacic acid Sebacic acid HMDB00792 MEDIUM 9.72_257.0796m/z 257.0796 9.72 1512.4774 1479.4537 1476.8467 1446.2450 1500.0568 1514.1927 C15H14O4 O-Desmethylangolensin O-Desmethylangolensin MEDIUM 9.72_300.0078m/z 300.0078 9.72 82.2663 70.8614 69.2365 54.8337 70.0195 60.7990 9.72_335.0052m/z 335.0052 9.72 163.6660 178.8313 150.1509 145.6434 170.3576 153.2273 9.72_346.0108m/z 346.0108 9.72 52.4034 60.4887 63.7824 48.8776 55.5945 66.6534 9.72_380.6654m/z 380.6654 9.72 81.1611 94.4192 79.8758 93.0540 83.9980 88.8156 9.72_439.1627m/z 439.1627 9.72 171.3384 201.1175 194.1348 172.1190 183.2783 187.9546 9.72_515.1630m/z 515.1630 9.72 86.3763 78.3750 69.4123 91.4007 96.4867 96.2095 9.72_652.8043m/z 652.8043 9.72 350.1048 359.2256 387.3307 378.0620 355.4977 380.0032 9.72_653.3056m/z 653.3056 9.72 173.9179 176.1340 163.3902 166.8565 163.7022 173.1979 9.72_663.8006m/z 663.8006 9.72 71.2105 100.6181 67.8332 70.7020 54.9916 85.0338 9.74_289.1059m/z 289.1059 9.74 486.6644 511.1916 532.7243 488.4965 469.7451 484.0695 C16H20O6 Mono-2-ethyl-5-carboxypentyl phthalate 40809-41-4 MEDIUM 9.74_351.0743m/z 351.0743 9.74 553.6362 555.3322 548.7073 535.6687 571.4196 559.3637 9.74_357.0958m/z 357.0958 9.74 302.3324 318.6346 292.3388 288.1862 302.6881 285.3242 9.74_412.0432m/z 412.0432 9.74 84.7931 100.6609 90.0453 85.6547 90.4389 72.5849 9.74_419.0641m/z 419.0641 9.74 110.6081 116.2824 127.0959 119.8455 125.6319 128.4420 9.74_445.1899m/z 445.1899 9.74 150.9012 132.9237 125.9542 135.0226 133.6347 121.9830 9.74_762.3390m/z 762.3390 9.74 427.4487 451.0449 456.1869 423.3441 448.9186 432.0611 9.76_166.9258m/z 166.9258 9.76 63.6977 65.2235 62.4438 50.5619 62.2738 51.6474 9.76_462.1771m/z 462.1771 9.76 456.9041 538.5244 497.1555 477.8264 450.6682 503.8233 9.76_479.2621m/z 479.2621 9.76 80.0253 95.8738 103.8475 88.7895 94.1471 102.3245 9.81_213.1132m/z 213.1132 9.81 168.8534 177.7881 173.8532 166.1250 187.9949 171.1355 9.81_226.9635m/z 226.9635 9.81 105.8284 109.5348 81.9187 97.2777 119.7979 118.3304 9.81_313.1198m/z 313.1198 9.81 213.9949 232.5312 222.5529 223.1670 227.7972 228.3016 9.82_385.1696m/z 385.1696 9.82 1413.3221 1462.9660 1535.4390 1415.4170 1523.1340 1488.0739 9.82_437.0544m/z 437.0544 9.82 369.8492 404.5231 444.7077 409.1034 410.2813 405.2332 9.82_443.1938m/z 443.1938 9.82 317.2462 337.1281 338.0167 311.4868 335.2665 347.4145 9.82_639.3179m/z 639.3179 9.82 232.4276 206.4271 227.2951 216.6207 216.3209 196.6630 9.82_639.8186m/z 639.8186 9.82 149.2496 145.8073 151.5834 152.9317 160.0827 140.9793 9.83_343.2127m/z 343.2127 9.83 845.5197 886.9489 921.4463 875.5299 938.1524 911.9633 9.83_411.2005m/z 411.2005 9.83 152.4131 163.7038 165.9942 179.8916 183.5742 187.8108 9.84_200.1292m/z 200.1292 9.84 150.8190 143.0470 166.9509 136.7231 170.3293 155.2759 9.84_272.0717m/z 272.0717 9.84 705.0533 753.9998 788.6896 743.4050 779.3034 794.0141 9.85_162.9813m/z 162.9813 9.85 59.8818 50.8159 52.6070 54.4463 49.7702 56.3081 9.85_267.0561m/z 267.0561 9.85 177.2076 186.1712 214.7975 194.2830 210.6706 166.0650 9.85_329.1760m/z 329.1760 9.85 406.9901 418.8642 437.5784 412.1459 397.0048 433.9109 9.85_379.1948m/z 379.1948 9.85 3656.7009 3823.9992 4146.2575 3904.1335 4212.5241 4371.5119 9.85_405.1911m/z 405.1911 9.85 163.9241 172.2872 178.1408 195.1238 165.9178 193.6097 C22H32O8 HT-2 Toxin HIGH 9.85_414.1818n 413.1996 9.85 1162.6243 1217.6398 1211.7697 1210.8329 1203.9759 1197.5205 9.85_425.1632m/z 425.1632 9.85 277.2550 264.2545 262.4950 271.8480 275.0463 276.5565 9.85_477.1640m/z 477.1640 9.85 991.3511 1059.3151 1086.3242 1055.9355 1065.6437 1067.3516 9.85_499.1448m/z 499.1448 9.85 2275.5468 2474.9956 2558.7751 2407.1422 2457.0437 2663.5146 9.86_183.1026m/z 183.1026 9.86 46.8383 46.6943 50.7735 51.4704 56.6238 49.6418 9.86_238.0778m/z 238.0778 9.86 45966.2893 47918.4005 49461.3604 47473.4507 48187.9160 50203.4223 9.86_238.5795m/z 238.5795 9.86 7727.4740 8164.7609 8471.8829 8072.0815 8204.2252 8576.0176 9.87_272.5729m/z 272.5729 9.87 148.9068 163.7194 186.4266 158.5856 182.3057 200.3666 9.92_159.1027m/z 159.1027 9.92 193.5284 193.3905 185.8538 188.5597 197.0461 190.0489 9.92_647.2350m/z 647.2350 9.92 90.3110 94.9545 116.1097 113.3122 114.9314 145.9726 9.95_258.0564m/z 258.0564 9.95 225.7925 228.6653 234.7147 238.1926 225.6832 231.9757 9.95_352.1667m/z 352.1667 9.95 382.9241 468.0111 435.7056 447.5227 511.2134 479.6053 9.96_813.9035m/z 813.9035 9.96 66.0281 86.4700 71.2746 80.7590 97.3240 88.5048 9.96_906.9612m/z 906.9612 9.96 93.6389 118.8704 108.7193 125.2604 104.0606 97.7153 9.97_170.9694m/z 170.9694 9.97 66.9450 63.4107 75.1153 53.8659 62.8376 55.9619 9.97_471.1130m/z 471.1130 9.97 1379.7005 1511.3112 1474.0663 1417.9704 1508.7347 1478.3304 9.97_770.3769m/z 770.3769 9.97 97.1803 127.2156 137.7234 98.0629 128.9676 124.8159 9.98_759.3851m/z 759.3851 9.98 846.5083 920.8400 887.4073 815.4988 866.9022 817.0703 9.98_759.8867m/z 759.8867 9.98 592.8961 571.3107 563.7423 545.0342 567.8979 543.2466 9.98_770.8741m/z 770.8741 9.98 97.4946 91.7967 80.3154 89.5012 96.6907 94.6838