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 0.05_223.9081m/z 223.9081 0.05 1339.3982 1407.2488 1404.6550 1354.2697 1382.3033 1357.9849 0.06_209.9289m/z 209.9289 0.06 1130.1990 1291.8866 1382.7317 1275.2130 1296.6054 1312.7347 0.14_136.9312m/z 136.9312 0.14 890.9863 981.6467 1002.5789 933.3911 948.7211 898.7444 0.48_315.8733m/z 315.8733 0.48 257.8817 234.0670 252.3282 233.6428 230.6969 238.7637 0.49_357.8507m/z 357.8507 0.49 389.3399 314.1535 361.3682 284.7055 361.8192 353.1217 0.49_360.8685m/z 360.8685 0.49 309.9283 279.9995 295.8154 284.6905 282.4368 311.5993 0.49_376.8491m/z 376.8491 0.49 188.0919 209.9667 212.7424 187.2470 215.3443 202.0581 0.49_406.8521m/z 406.8521 0.49 395.2362 368.2779 381.5691 325.8752 380.6199 372.1745 0.49_448.8800n 432.8575 0.49 1897.6506 1716.7031 1865.0414 1766.0708 1827.3589 1807.9405 0.49_464.8585n 448.8359 0.49 1125.3463 922.1541 1229.1096 1178.7722 1148.1113 1212.9940 0.49_500.8464n 523.8333 0.49 1113.0717 837.6200 1008.2647 887.0580 939.4512 867.9360 0.50_116.9743m/z 116.9743 0.50 69.4881 72.4999 69.2544 56.7488 60.4272 52.1138 0.50_131.9852n 154.9614 0.50 741.1203 753.6512 745.8706 710.7734 758.8925 761.4178 0.50_157.9208n 158.9285 0.50 2276.4308 2036.1202 2062.1242 1915.3184 2130.4009 2069.5472 0.50_174.9728m/z 174.9728 0.50 195.9496 185.6872 285.9309 276.5829 295.0586 282.8232 0.50_187.9375n 170.9342 0.50 2058.2887 1938.6599 1970.1891 1922.8033 2024.1627 1972.9546 0.50_195.9824n 218.9837 0.50 2741.9039 2599.9214 3558.5142 3458.2937 3499.8439 3297.0151 0.50_199.9661n 200.9733 0.50 11114.9936 10623.8050 10692.4817 10722.6438 11110.0399 10736.6380 0.50_203.9265n 186.9232 0.50 5695.6066 5084.6570 5528.3749 5241.7479 5638.2933 5429.1523 0.50_215.9435n 198.9402 0.50 28733.3843 25779.9686 26744.8991 25773.5064 27306.8540 26640.1353 0.50_218.9118m/z 218.9118 0.50 2569.7617 2238.9479 2349.3868 2167.5734 2314.2879 2274.9011 0.50_231.9211n 214.9178 0.50 47380.8297 41634.3980 44658.2745 41874.4892 44834.4393 44066.6539 0.50_234.9603m/z 234.9603 0.50 824.3316 723.8472 747.8445 697.3732 729.9197 658.1619 0.50_239.9675m/z 239.9675 0.50 370.1953 233.0608 216.1997 200.5168 204.1439 191.2336 0.50_250.9396m/z 250.9396 0.50 398.1380 363.7914 347.0907 332.8263 323.4847 300.1559 0.50_255.9445m/z 255.9445 0.50 192.9892 113.9419 133.6775 108.3882 129.8032 111.3504 0.50_258.9729m/z 258.9729 0.50 1185.4064 963.7533 980.5233 887.4052 819.7312 790.3558 0.50_259.9991n 242.9958 0.50 2793.9797 2387.6561 2323.5328 2109.4828 2337.8178 2015.1193 0.50_361.8799n 344.8766 0.50 11302.9062 10255.1621 11262.8742 10484.5180 11039.3809 10881.8854 0.50_394.8587m/z 394.8587 0.50 228.2827 204.0662 203.0165 175.2738 185.7908 197.0073 0.50_414.8784m/z 414.8784 0.50 1161.4271 1050.8231 1067.2208 1069.1090 1088.8718 1144.1592 0.50_415.3403m/z 415.3403 0.50 144.1510 103.4543 104.9948 112.6238 111.0171 103.7059 0.50_422.8324m/z 422.8324 0.50 462.8893 424.1794 493.0340 483.5499 516.1109 510.7835 0.50_429.8497m/z 429.8497 0.50 1160.2078 1100.1460 1163.6084 1169.3996 1209.8548 1153.6444 0.50_462.8493m/z 462.8493 0.50 1323.6555 1227.0392 1355.3242 1348.6054 1365.8938 1316.4248 0.50_496.8306m/z 496.8306 0.50 279.9663 262.2069 331.9165 277.8142 308.0677 300.1024 0.50_515.8432m/z 515.8432 0.50 172.3648 151.4865 134.0441 139.8749 167.0625 161.6234 0.50_532.3246m/z 532.3246 0.50 110.1175 89.8598 82.5656 93.0866 84.9790 92.6153 0.50_545.8714n 546.8307 0.50 706.1559 577.6178 636.1396 657.9416 659.0494 629.7032 0.50_547.8503n 531.8233 0.50 664.9696 586.9599 663.0061 671.7774 647.8541 681.2490 0.50_562.8171m/z 562.8171 0.50 635.6783 547.2961 675.6575 605.2924 654.5095 630.6388 0.50_604.7937m/z 604.7937 0.50 3781.6688 3304.4200 3926.6457 3613.4454 3835.7093 3810.7979 0.50_646.3040m/z 646.3040 0.50 206.2765 196.3083 211.4099 211.5445 195.0817 202.2655 0.50_84.9607m/z 84.9607 0.50 6763.3448 5288.4422 5694.3482 5216.8337 5324.4461 5145.6501 0.51_107.9531n 125.9869 0.51 824.7190 407.6015 436.1802 422.0658 430.9362 435.1896 0.51_127.0127n 110.0094 0.51 2658.8605 1575.6294 1694.0974 1479.1039 1565.8696 1513.3466 0.51_190.9187m/z 190.9187 0.51 249.6679 229.7800 223.4373 190.0625 210.7322 202.3682 0.51_240.9927n 223.9894 0.51 1245.4439 690.6183 685.6670 668.2369 707.5840 694.2231 0.51_286.9197m/z 286.9197 0.51 279.0629 256.2189 296.2849 287.8827 282.0883 288.3034 0.51_312.9216m/z 312.9216 0.51 1429.3127 1266.6309 1354.0195 1353.5119 1357.1365 1289.8401 0.51_318.8939n 302.8992 0.51 635.7836 566.6060 602.6142 606.6687 595.9518 579.5213 0.51_332.8903m/z 332.8903 0.51 474.6735 412.1746 417.5336 430.7720 447.2747 414.0979 0.51_345.9024n 328.8991 0.51 6641.4736 5972.6916 6075.0440 5988.4097 5979.5964 5832.3612 0.51_365.8733n 348.8700 0.51 1243.9341 1087.1418 1204.4273 1160.7780 1188.8874 1151.9120 0.51_400.9026m/z 400.9026 0.51 745.4067 724.4917 758.0755 740.2061 758.9680 727.2251 0.51_415.9061n 416.8788 0.51 2098.8656 1974.2608 1953.1945 1944.1107 1963.7895 1986.5261 0.51_442.8792m/z 442.8792 0.51 6928.4038 6314.3769 6531.5768 6522.9470 6491.2295 6371.9826 0.51_444.9029n 428.8990 0.51 426.7735 372.2324 419.2012 443.9785 404.6466 428.8192 0.51_458.8571m/z 458.8571 0.51 16310.4935 14868.8872 15530.3171 14997.4701 15236.2532 15343.9772 0.51_478.8283m/z 478.8283 0.51 1330.5565 1192.3162 1270.6579 1195.8310 1264.3629 1265.3749 0.51_491.8380n 474.8347 0.51 12997.2255 11732.5006 12760.5351 11975.5867 12429.4500 12239.1427 0.51_539.8133m/z 539.8133 0.51 751.3113 672.2630 854.8632 769.2985 823.9963 836.4080 0.51_557.8498n 558.8570 0.51 2045.6081 1936.5904 2091.9327 2045.4171 2069.3432 2004.0233 0.51_560.8533n 578.8188 0.51 1722.9335 1567.0616 1917.7358 1780.6178 1898.6228 1901.3978 0.51_572.8389m/z 572.8389 0.51 9363.1467 8274.4305 8925.2102 8637.8405 8777.7290 8692.4449 0.51_589.3149m/z 589.3149 0.51 497.3629 384.1345 403.2641 378.4232 428.3869 358.0415 0.51_592.8164m/z 592.8164 0.51 1361.9512 1200.1683 1337.1622 1302.5609 1334.2798 1365.3434 0.51_605.8187n 588.8154 0.51 11946.9665 10625.7543 12072.0901 11420.8727 11899.6579 11749.1697 0.51_653.7927m/z 653.7927 0.51 1293.0993 1204.0946 1458.4016 1384.5112 1410.5341 1409.1093 0.51_654.2971m/z 654.2971 0.51 235.0512 218.5754 246.3082 196.3728 212.7748 220.9025 0.51_654.3394n 655.3058 0.51 567.3567 370.0384 307.8637 431.9484 368.2359 420.2042 0.51_661.7851m/z 661.7851 0.51 493.2322 419.3636 515.6333 481.5682 507.0344 469.5185 0.51_663.3078m/z 663.3078 0.51 281.1340 235.6166 260.6489 225.4989 282.7265 304.8272 0.51_711.2971m/z 711.2971 0.51 814.2944 689.7841 663.2034 691.5052 653.2603 639.3122 0.51_718.7958m/z 718.7958 0.51 7218.7291 6378.3584 7619.6143 7177.9313 7309.1914 7442.6302 0.51_734.7536m/z 734.7536 0.51 1183.4811 1080.5894 1269.8152 1170.8692 1281.5973 1267.3525 0.51_783.7551m/z 783.7551 0.51 950.9102 821.5000 1191.2445 1079.6596 1261.6871 1220.7898 0.51_82.0149m/z 82.0149 0.51 531.5544 307.7243 331.1220 303.3728 338.7020 308.9043 0.51_85.9869n 68.9836 0.51 803.9573 717.0725 756.5598 753.4044 705.7584 720.1034 0.51_88.9541m/z 88.9541 0.51 177.2376 143.6474 140.2402 138.5868 150.5904 126.2702 0.53_542.8274m/z 542.8274 0.53 761.2740 629.2885 784.6985 784.4802 801.2795 758.8561 0.53_566.8285m/z 566.8285 0.53 299.9972 262.0627 337.3401 321.1723 407.0180 431.9261 0.53_568.8295m/z 568.8295 0.53 298.4060 263.0887 317.7229 290.6444 303.9874 263.0318 0.53_702.7983m/z 702.7983 0.53 5014.0123 4522.0440 5333.9828 5100.2226 5373.8514 5223.3623 0.54_266.9279m/z 266.9279 0.54 480.6407 409.7605 453.5780 442.0775 446.1633 415.4082 0.54_268.9392m/z 268.9392 0.54 285.8283 304.8320 342.4781 304.8901 358.4911 356.6126 0.54_282.9062m/z 282.9062 0.54 1220.0418 1081.6002 1217.1667 1155.1533 1156.1705 1192.7026 0.54_318.9384m/z 318.9384 0.54 419.3016 402.0280 405.6111 373.6059 344.3799 326.3251 0.54_334.9140m/z 334.9140 0.54 1855.1965 1694.4019 1940.6284 1820.3046 1903.5733 1780.5292 0.54_350.8927m/z 350.8927 0.54 2807.7428 2560.9753 3192.4438 3056.0371 3209.5760 3077.3269 0.54_396.8852m/z 396.8852 0.54 530.9429 505.3442 517.9214 531.2955 546.8031 514.1114 0.54_402.9025m/z 402.9025 0.54 2335.0668 2253.8453 2875.2518 2744.7905 2747.0545 2738.9743 0.54_418.8803m/z 418.8803 0.54 2962.8131 2798.3603 3120.0256 2854.7891 3017.2709 2829.5886 0.54_464.8653m/z 464.8653 0.54 1820.3396 1669.7297 1803.4503 1729.4785 1753.5077 1747.4692 0.54_480.8465m/z 480.8465 0.54 1485.6562 1292.8821 1620.0868 1477.4467 1615.1840 1525.0698 0.54_490.8391m/z 490.8391 0.54 310.6111 258.8090 310.5704 272.2055 297.6780 309.4852 0.54_509.8463n 532.8531 0.54 2707.8552 2364.4944 2631.5130 2434.9168 2597.0333 2520.3966 0.54_516.8640m/z 516.8640 0.54 967.0013 845.3909 962.8479 1038.6094 979.7345 1008.2176 0.54_548.8341m/z 548.8341 0.54 1436.4985 1284.9840 1454.2206 1332.9490 1418.3087 1399.9089 0.54_552.8180m/z 552.8180 0.54 483.4169 476.1497 521.6998 465.8697 532.0409 509.1515 0.54_584.8462m/z 584.8462 0.54 1109.9316 971.3940 1207.3928 1141.6024 1160.3892 1159.0332 0.54_600.8414m/z 600.8414 0.54 2306.8203 2147.9592 2579.3680 2510.4242 2501.7526 2458.8508 0.54_616.8247m/z 616.8247 0.54 2923.7383 2571.1323 3413.4682 3218.4457 3348.6144 3190.0446 0.54_659.8284n 642.8251 0.54 1746.4202 1535.6818 1967.9244 1849.0760 1931.9490 1909.3193 0.54_661.8076n 662.8148 0.54 6358.8965 5531.1845 7691.1227 7015.8285 7318.9403 6977.1976 0.54_668.8308m/z 668.8308 0.54 4983.4803 4610.8509 5805.5511 5525.2391 5680.0928 5582.4848 0.54_678.7998m/z 678.7998 0.54 1507.3468 1370.9879 1766.5478 1756.8905 1792.3392 1669.1104 0.54_712.7775n 696.8432 0.54 11961.6093 10754.8681 13123.1770 12408.6810 12873.5794 12720.9583 0.54_736.8123m/z 736.8123 0.54 5756.9967 5088.0364 6809.9072 6408.7247 6562.4556 6376.0042 0.54_746.7927m/z 746.7927 0.54 1890.9570 1671.8366 2145.4579 2094.3208 2199.0491 2019.0000 0.54_787.2797n 810.3127 0.54 1794.6074 1639.4206 1502.6621 1490.0458 1583.2595 1594.2012 0.54_815.8026n 798.7993 0.54 10435.7805 9212.3243 12032.5756 11460.4717 11707.8060 11535.9272 0.54_847.2978m/z 847.2978 0.54 508.0767 491.7942 478.0632 496.2173 476.6430 473.7295 0.55_220.9353m/z 220.9353 0.55 4077.7393 3833.7745 3942.9440 3748.5482 3744.9821 3814.6838 0.55_272.9455m/z 272.9455 0.55 2385.5941 2308.9758 2351.7879 2239.1297 2190.0375 2249.8738 0.55_305.9261n 288.9228 0.55 15134.9464 14096.5765 15022.2129 14045.9403 14135.7174 14561.7165 0.55_470.8905m/z 470.8905 0.55 1427.2848 1290.3625 1334.2966 1311.7402 1276.9971 1249.4196 0.55_486.8689m/z 486.8689 0.55 3392.5820 3049.1216 3136.1722 2842.2605 2966.1950 2875.2007 0.55_502.8449m/z 502.8449 0.55 970.3887 793.7018 870.6331 823.0718 818.5010 755.1648 0.55_522.8848m/z 522.8848 0.55 199.6443 185.2663 236.4026 217.4361 202.4986 215.6490 0.55_538.8763m/z 538.8763 0.55 1412.6662 1309.5791 1492.9631 1460.2319 1478.4374 1373.2790 0.55_570.8289m/z 570.8289 0.55 775.9894 629.1416 751.0462 714.3412 741.6535 714.2155 0.55_571.8574n 554.8541 0.55 7653.1991 7038.7438 7821.9115 7357.3214 7738.2110 7475.7068 0.55_622.8348m/z 622.8348 0.55 4930.6007 4482.8255 5333.3776 4954.3585 5099.8103 4900.3073 0.55_655.8199n 656.8078 0.55 4315.6849 3822.0012 4599.4125 4462.4004 4594.5942 4541.1901 0.55_674.8397m/z 674.8397 0.55 4041.2229 3647.7018 4800.4828 4504.0673 4604.2701 4401.1855 0.55_690.8265m/z 690.8265 0.55 6535.4695 5871.6160 7078.5193 6631.4903 6997.4951 6776.0155 0.55_719.8197n 742.8290 0.55 5278.4974 4704.9113 5940.5456 5509.0014 5698.3125 5677.0549 0.55_727.8042m/z 727.8042 0.55 2549.3292 2205.9121 2777.6844 2621.8811 2668.0309 2657.2126 0.55_741.3401n 759.3142 0.55 487.8023 467.0848 459.7168 439.5142 449.2173 461.5240 0.55_752.7968m/z 752.7968 0.55 5583.1279 4839.7688 6174.8419 5819.1571 6129.6281 5825.5998 0.55_754.3196m/z 754.3196 0.55 315.0628 264.8192 270.4385 245.0482 295.4216 348.8765 0.55_758.8138m/z 758.8138 0.55 5102.0958 4549.6432 5300.1060 4937.1875 5264.6473 4942.9730 0.55_764.3365n 782.3093 0.55 559.2901 373.9545 485.2593 433.7376 430.3322 407.5370 0.55_804.8036m/z 804.8036 0.55 2385.3145 2075.7060 2591.2284 2482.5147 2569.7621 2510.1848 0.55_807.3069n 790.3036 0.55 1092.5813 945.2390 998.6509 919.5843 1027.5129 914.1660 0.55_810.8110m/z 810.8110 0.55 4266.1696 3898.2321 4950.5747 4564.3673 4785.2532 4601.8015 0.55_818.3015n 836.3109 0.55 1398.0820 1143.7061 1342.7282 1196.0677 1199.6670 1279.9159 0.55_820.7849m/z 820.7849 0.55 5679.1827 5173.0813 6285.7707 6070.8031 6289.9959 6076.1336 0.55_826.7982m/z 826.7982 0.55 6487.1384 5655.0553 6870.6147 6518.3873 6875.4636 6565.3624 0.55_849.2893n 867.3052 0.55 2263.0503 1938.1958 1886.8113 1948.5123 1923.1771 1944.0810 0.55_872.7886m/z 872.7886 0.55 2212.6454 2005.4183 2490.7265 2333.0313 2461.1697 2429.7976 0.55_878.7961m/z 878.7961 0.55 4260.1700 3762.9476 4622.6177 4482.3192 4548.0067 4574.7264 0.55_895.2905m/z 895.2905 0.55 463.9280 404.6569 468.9816 399.6830 409.9037 414.2660 0.55_906.3214n 890.2988 0.55 1368.8036 960.7301 794.5406 875.7456 884.0312 839.6463 0.55_940.7772m/z 940.7772 0.55 2235.7525 1927.6114 2344.3011 2287.6823 2336.6789 2343.1027 0.55_956.7621m/z 956.7621 0.55 5719.7616 5098.4684 5924.2398 5566.0568 5670.8248 5693.2758 0.56_304.8970m/z 304.8970 0.56 3411.4538 3171.1652 3503.8911 3220.0154 3277.0535 3239.6672 0.56_356.9102m/z 356.9102 0.56 1991.3688 1828.8528 1967.4881 1781.8707 1835.3063 1881.3086 0.56_372.8876m/z 372.8876 0.56 703.8177 626.2527 677.1696 599.9429 669.3682 631.7982 0.56_424.8979m/z 424.8979 0.56 5789.0017 5432.0530 5696.7383 5250.2183 5337.1676 5380.6611 0.56_440.8721m/z 440.8721 0.56 1695.5919 1564.4633 1757.8377 1555.7636 1532.5618 1585.3521 0.56_508.8593m/z 508.8593 0.56 1005.6840 877.7103 966.1012 860.9672 889.6642 869.3082 0.56_560.8695m/z 560.8695 0.56 3727.7567 3396.7290 3759.6228 3505.5100 3495.8044 3576.7355 0.56_612.8653m/z 612.8653 0.56 2746.9742 2560.5587 3159.1269 3050.7677 2976.0573 2956.2555 0.56_628.8574m/z 628.8574 0.56 5720.6871 5176.4802 5948.1547 5491.4484 5633.9061 5649.2034 0.56_644.8312m/z 644.8312 0.56 4699.5241 4168.8082 4958.2642 4573.4689 4978.7108 4637.9425 0.56_680.8482m/z 680.8482 0.56 3618.2833 3302.7283 4097.3719 3794.1340 3976.4237 3864.1521 0.56_697.3288m/z 697.3288 0.56 296.5255 240.2291 220.9193 248.1870 263.4139 249.5657 0.56_712.8135m/z 712.8135 0.56 5225.2283 4679.6607 6018.2728 5686.8558 5980.2748 5664.2139 0.56_728.3111m/z 728.3111 0.56 386.8903 218.9232 317.5315 311.6432 251.1794 339.7158 0.56_748.8304m/z 748.8304 0.56 3813.2176 3354.5411 4463.5611 4259.7516 4244.3933 4217.3091 0.56_750.2892n 768.3230 0.56 974.7165 840.3949 796.9717 757.5733 740.6455 800.7137 0.56_780.8018m/z 780.8018 0.56 5121.8407 4437.8165 5079.5504 4763.5110 4952.4398 4762.2737 0.56_791.8182n 792.7839 0.56 7574.9842 6535.0053 8274.0639 8013.1971 8239.6189 8178.2118 0.56_807.3067m/z 807.3067 0.56 482.5570 442.5629 430.1725 442.8378 487.4731 412.7985 0.56_823.7993n 806.7960 0.56 4516.7669 3928.3929 5223.0844 4903.3715 4988.0576 5042.0921 0.56_832.8058m/z 832.8058 0.56 8793.6084 7623.5399 9231.0587 8606.5119 8867.5526 8789.5612 0.56_848.7714m/z 848.7714 0.56 6995.4295 6055.6593 7599.0246 6972.9881 7330.0054 7429.2333 0.56_865.7795n 888.7750 0.56 9189.5841 8106.3979 10335.7078 9418.5090 9779.0943 9668.8878 0.56_869.7925m/z 869.7925 0.56 2840.8328 2465.7195 3089.9507 3015.1583 2982.9054 2931.1358 0.56_880.3219n 881.2947 0.56 1603.2778 1408.1489 1328.5862 1161.9408 1224.4648 1240.2828 0.56_882.7731m/z 882.7731 0.56 6104.7539 5426.7083 6797.2675 6259.5217 6433.2590 6579.6685 0.56_891.7899n 874.7866 0.56 4649.1755 4221.8063 5388.3753 5151.0183 5313.8787 5191.8470 0.56_899.7877n 900.7949 0.56 13657.7009 12028.7180 14418.7201 13566.6345 14226.1813 13824.8258 0.56_90.9774m/z 90.9774 0.56 4798.7617 4567.6707 4842.1405 4485.7743 4533.0356 4585.5423 0.56_911.7796m/z 911.7796 0.56 1040.1968 861.2303 967.9985 950.2211 990.0668 942.2064 0.56_916.7714m/z 916.7714 0.56 6219.4012 5580.2386 6774.6221 6251.7904 6543.6452 6552.2729 0.56_924.7998n 908.7773 0.56 5933.4433 5321.5306 6393.3453 6139.3628 6116.0079 6204.5762 0.56_934.7774m/z 934.7774 0.56 3222.7935 2861.9988 3581.7927 3207.7374 3388.9975 3359.9258 0.56_944.7675n 962.7654 0.56 13262.5226 11730.5461 13858.8111 12912.0036 13180.4404 13334.8351 0.56_945.7730n 968.7795 0.56 11083.1482 10083.9312 11420.3929 10809.4702 11096.5676 11006.3243 0.56_950.7605m/z 950.7605 0.56 4017.4993 3708.4882 4328.1435 4062.2115 4148.4961 4213.2471 0.56_953.8041n 937.7815 0.56 4648.1665 4190.0549 4995.3199 4553.1203 4615.0142 4689.1666 0.56_984.7602m/z 984.7602 0.56 5723.0066 5067.0687 6139.5616 5507.4836 5614.3301 5881.6435 0.57_106.9511m/z 106.9511 0.57 1078.3228 972.2558 992.7703 944.8497 979.2244 972.7333 0.57_122.9251m/z 122.9251 0.57 721.5143 681.2035 647.3270 574.1005 613.8848 611.7102 0.57_158.9646m/z 158.9646 0.57 4815.5203 4484.0845 4741.2769 4437.0819 4483.4182 4564.4759 0.57_174.9385m/z 174.9385 0.57 723.1378 656.7525 608.3179 581.8767 558.7182 619.5355 0.57_177.0614m/z 177.0614 0.57 782.4932 718.8951 780.2740 768.9192 767.7385 760.0361 0.57_226.9522m/z 226.9522 0.57 11314.9476 10387.4297 11173.3031 10407.2965 10541.1461 10826.2209 0.57_242.9264m/z 242.9264 0.57 5012.8282 4660.7403 5001.5608 4470.8051 4690.3570 4687.6645 0.57_300.8999m/z 300.8999 0.57 825.2365 796.0360 820.5850 805.7538 801.9862 816.2078 0.57_316.8762m/z 316.8762 0.57 576.1505 555.4680 533.7455 527.7006 558.5357 533.0996 0.57_368.8714m/z 368.8714 0.57 624.3053 593.1799 643.0753 605.6603 619.6324 600.2869 0.57_378.9011m/z 378.9011 0.57 2179.5065 1980.8804 2103.9756 1974.2698 1979.0858 1998.0430 0.57_436.8649m/z 436.8649 0.57 760.2527 693.9501 706.1191 669.9895 699.5129 695.6709 0.57_446.8845m/z 446.8845 0.57 2664.3515 2488.0840 2531.8522 2453.5472 2477.1597 2412.4040 0.57_452.8426m/z 452.8427 0.57 358.9339 316.0646 359.2942 360.3378 359.1567 293.3419 0.57_504.8530m/z 504.8530 0.57 814.7372 702.6109 673.8795 627.9056 668.9618 641.7198 0.57_514.8757m/z 514.8757 0.57 1154.2344 1053.9401 1190.6138 1094.4245 1111.8844 1061.2646 0.57_543.8468n 526.8436 0.57 2351.6050 2246.2350 2546.7186 2409.0451 2444.8390 2437.0070 0.57_550.8413m/z 550.8413 0.57 731.6136 661.3219 784.1850 747.9410 752.1600 757.7549 0.57_566.8894m/z 566.8894 0.57 2904.8108 2759.8490 2768.0674 2545.8791 2589.2560 2627.9713 0.57_582.8551m/z 582.8551 0.57 1650.0021 1538.1789 1581.3752 1481.1888 1539.8860 1549.3190 0.57_634.8695m/z 634.8695 0.57 4075.2871 3710.8393 4162.4280 4079.5291 4178.3174 4017.5941 0.57_640.8222m/z 640.8222 0.57 1593.4999 1398.8330 1565.9232 1625.7415 1580.9144 1521.2714 0.57_650.8394m/z 650.8394 0.57 2284.4954 2101.2286 2661.1838 2505.6008 2577.0370 2419.3827 0.57_686.8184m/z 686.8184 0.57 3974.8865 3754.2934 4285.9455 4035.7097 4158.7519 4147.4085 0.57_708.8082m/z 708.8082 0.57 1871.5673 1767.7871 2120.0617 2044.5642 2075.3587 1992.6299 0.57_710.8020m/z 710.8020 0.57 1808.7926 1684.9396 2024.2463 1956.3587 1988.7723 1918.8060 0.57_741.8065n 764.8303 0.57 9949.2592 8571.3499 10446.2576 9695.2145 10065.4664 10012.5422 0.57_762.7989m/z 762.7989 0.57 1518.4044 1421.7378 1819.9574 1719.9256 1783.0757 1736.9495 0.57_770.8335m/z 770.8335 0.57 7343.7089 6263.1285 7470.7656 6979.5713 7425.0901 7074.9007 0.57_776.7954m/z 776.7954 0.57 2303.2596 1963.1026 2268.0441 2242.5118 2338.4689 2246.1144 0.57_778.7964m/z 778.7964 0.57 1644.1854 1482.3602 1846.7260 1673.3060 1758.4132 1727.5528 0.57_786.8021m/z 786.8021 0.57 6438.7431 5653.6151 7389.7798 7173.8742 7252.5751 7108.3712 0.57_814.7835m/z 814.7835 0.57 1795.7500 1530.9222 2057.0647 1892.0966 1921.4973 1876.9757 0.57_838.8183m/z 838.8183 0.57 7349.9955 6478.8069 7411.7725 7059.9156 7138.2864 7193.6139 0.57_844.7874m/z 844.7874 0.57 2068.3975 1820.9006 2225.0758 2084.9448 2181.4529 2142.6774 0.57_854.7873m/z 854.7873 0.57 6377.6691 5769.2835 7181.0928 6747.3325 6975.1952 6871.7983 0.57_876.8001n 860.7775 0.57 12592.2591 11160.2903 13178.2207 12550.3491 13059.3209 12832.0022 0.57_906.7880m/z 906.7880 0.57 3053.9421 2640.9862 3009.8257 2771.9010 2924.0081 2893.9130 0.57_912.7758m/z 912.7758 0.57 2087.9715 1859.3988 2207.3346 2026.6332 2059.1377 2052.0019 0.57_973.7674n 974.7747 0.57 8357.8177 7391.2090 8649.9493 8038.8070 8467.0026 8011.5597 0.57_980.7609m/z 980.7609 0.57 1953.3682 1751.8031 2024.9788 1852.9897 1931.3413 1953.4797 0.57_982.7630m/z 982.7630 0.57 1753.5815 1648.1185 1786.7248 1713.4052 1826.3424 1722.2764 0.57_990.7598m/z 990.7598 0.57 5801.1435 5135.8691 5932.4533 5657.7146 5749.0251 5712.3433 0.58_164.9297m/z 164.9297 0.58 1826.6087 1766.2952 1762.7557 1687.2054 1647.9023 1683.0091 0.58_180.9043m/z 180.9043 0.58 623.4252 564.2675 504.0456 471.6864 474.2161 492.1403 0.58_191.0773m/z 191.0773 0.58 1334.9088 1283.4713 1348.1710 1338.1651 1316.6535 1275.6777 0.58_216.9234m/z 216.9234 0.58 3502.1821 3196.2575 3501.5633 3132.9670 3206.1771 3279.2049 0.58_684.7611n 702.6542 0.58 3491.9912 3202.9991 2452.9518 2286.3021 2253.0131 2391.5260 0.58_712.7092m/z 712.7092 0.58 2723.6769 2389.0651 2032.3129 1997.0327 1936.7612 1956.7482 0.58_770.6682m/z 770.6682 0.58 3241.0202 2884.4868 2044.7704 1913.5409 1925.0689 1979.5525 0.58_80.9490m/z 80.9490 0.58 1647.0704 1536.1907 1587.0585 1446.0969 1444.1013 1490.7255 0.58_867.6254n 868.6327 0.58 6689.8628 6046.4464 4897.8633 4663.6297 4676.7978 4800.0615 0.58_925.5804n 908.5772 0.58 5384.5871 4913.8040 4354.7025 3842.2927 3991.5067 4027.0204 0.58_942.5816m/z 942.5816 0.58 2208.5933 1948.8828 1882.7364 1813.7037 1739.1358 1806.4339 0.59_82.9460m/z 82.9460 0.59 598.0252 568.5227 468.3056 448.1160 418.6337 418.0930 0.59_96.9226m/z 96.9226 0.59 1417.6014 1311.8942 1342.5885 1238.6619 1248.1938 1293.2778 0.59_98.9199m/z 98.9199 0.59 611.2145 569.5236 476.5556 450.0587 428.4481 436.5379 0.60_112.8964m/z 112.8964 0.60 2092.1959 1914.3522 1975.5197 1887.3065 1952.1774 1891.1925 0.60_114.8937m/z 114.8937 0.60 959.3401 883.0156 772.6067 750.5060 745.9445 711.6476 0.60_196.0943n 219.0835 0.60 1027.1302 904.6334 1025.0046 880.5553 908.8970 901.1379 0.60_200.0411m/z 200.0411 0.60 544.4111 529.6910 565.3472 505.1516 557.3707 570.1430 0.60_462.9651m/z 462.9651 0.60 1335.0334 1288.6550 1088.7466 1154.2425 1108.2966 1144.1523 0.60_576.8864m/z 576.8864 0.60 1741.3566 1718.0664 1667.1217 1677.3441 1633.7843 1637.4112 0.60_578.8832m/z 578.8832 0.60 1579.6619 1612.8303 1475.9458 1579.3128 1451.4157 1522.1242 0.61_138.9072m/z 138.9072 0.61 298.7168 274.9873 226.0018 232.9696 214.3253 209.2721 0.61_146.0733n 130.0507 0.61 1008.5617 944.8731 945.9213 892.3957 929.1915 931.7404 C10H10O Benzylideneacetone 217301 MEDIUM 0.61_175.1195m/z 175.1195 0.61 2293.8679 2174.7537 2254.6550 2143.4985 2196.4649 2258.4848 C6H14N4O2 L-Arginine Arginine 16467 MEDIUM 0.61_191.0412m/z 191.0412 0.61 2464.5106 2425.5058 2381.7972 2188.1122 2234.0191 2224.9595 0.61_196.8666m/z 196.8666 0.61 1032.9919 953.9378 969.1054 909.7839 932.9301 902.2121 0.61_198.8631m/z 198.8631 0.61 896.0165 802.2070 816.2549 772.9223 773.3511 733.0814 0.61_207.0154m/z 207.0154 0.61 623.1472 623.3247 640.5955 573.7440 530.6586 541.0909 0.61_254.8250m/z 254.8250 0.61 993.4916 871.3050 891.7459 827.0885 833.2741 829.6616 0.61_256.8219m/z 256.8219 0.61 1267.6531 1107.2906 1119.7049 1058.2209 1060.0578 1046.8061 0.61_270.7993m/z 270.7993 0.61 505.6682 445.8362 399.1004 342.5943 340.4380 364.7403 0.61_272.7961m/z 272.7961 0.61 642.4995 575.5094 526.5697 469.4943 493.5727 463.0810 0.61_403.0091m/z 403.0091 0.61 10801.4454 11197.0796 10707.0311 10874.4185 10512.6068 10742.6634 0.61_449.0138m/z 449.0138 0.61 314.7111 296.8928 358.6476 352.0567 356.4018 349.5375 0.61_455.9892n 438.9859 0.61 3680.1243 3907.4465 3758.7245 3791.5471 3663.4509 3804.6427 0.61_460.9680m/z 460.9680 0.61 3158.3524 3312.9091 3050.2602 3150.4330 2959.8702 3113.5649 0.61_496.9420m/z 496.9420 0.61 946.4518 987.7519 969.9782 953.3727 917.5782 977.7027 0.61_497.9324n 520.9242 0.61 2123.2296 2115.9387 2140.3927 2153.4527 2027.8113 2075.9260 0.61_511.9082n 534.9007 0.61 2074.0512 1972.4353 1890.9402 1930.2092 1787.4015 1983.9782 0.61_518.9269m/z 518.9269 0.61 2239.6874 2288.4773 2240.0556 2295.8082 2249.1615 2247.6290 0.61_553.9004n 536.8971 0.61 2029.7300 1981.4543 1862.0992 1827.2449 1762.3774 1814.9438 0.61_570.8751m/z 570.8751 0.61 616.5038 551.0366 635.2899 589.7967 585.8964 625.4472 0.61_573.8675n 574.8748 0.61 718.7691 785.6054 699.4252 707.5473 692.7254 696.5017 0.61_594.8569m/z 594.8569 0.61 1195.1141 1238.0497 1024.8815 1079.3964 1079.5167 1128.6489 0.63_104.1077m/z 104.1077 0.63 2005.9043 1940.9852 1983.7906 1923.6386 2082.3766 2023.8284 0.63_162.1127m/z 162.1127 0.63 26543.2955 26361.0179 27766.0942 26052.5313 26903.8030 25770.9580 C7H15NO3 L-Carnitine Carnitine 16347 HIGH 0.63_214.0073m/z 214.0073 0.63 1101.2311 1045.0850 1021.4946 1004.5753 976.3163 956.5023 0.63_221.0212m/z 221.0212 0.63 1307.5769 1293.1286 1244.9003 1222.1281 1282.9715 1345.8837 0.63_257.1037n 258.1110 0.63 16814.9283 16421.5692 16272.3770 16332.9685 17179.7714 17426.9147 0.63_271.9662m/z 271.9662 0.63 634.9287 589.7173 614.2432 576.0619 604.8760 608.6874 0.63_296.0678m/z 296.0678 0.63 1503.6150 1437.6104 1448.5161 1430.9249 1488.7017 1581.7876 0.63_314.7817m/z 314.7817 0.63 671.3634 544.0629 470.7571 432.5035 436.8177 421.0620 0.64_103.0399m/z 103.0399 0.64 897.1421 828.3605 870.7430 868.0897 865.3853 826.8149 C5H4N4 Purine Purine HMDB01366 MEDIUM 0.64_203.0533m/z 203.0533 0.64 65559.3228 65637.7597 65288.5765 64234.2729 64527.1868 65485.4204 C6H12O6 L-Gulose HMDB12326 0.64_219.0276m/z 219.0276 0.64 3429.2780 3211.8899 3073.1589 2989.9367 2958.3407 3052.2674 0.64_383.1175m/z 383.1175 0.64 5427.9293 4738.1268 4932.6364 4727.6867 4872.2616 4861.0905 C16H19F3N2O4 Zirconium(IV) bromide MEDIUM 0.64_594.0223m/z 594.0223 0.64 332.8717 350.6340 248.2796 230.3661 228.7994 267.5380 0.65_117.0795n 118.0868 0.65 4721.7399 4490.4372 4716.9328 4551.1075 4727.1750 4466.6852 C5H11NO2 5-Aminopentanoic acid 5-Aminopentanoic acid HMDB03355 0.65_175.0985n 198.0856 0.65 600.3748 625.9633 590.1445 569.0385 561.0483 627.9701 0.65_470.9355m/z 470.9355 0.65 429.6880 385.0990 394.3360 377.6149 357.4591 366.5040 0.65_476.9423m/z 476.9423 0.65 1624.8247 1715.9089 1555.2219 1685.6782 1593.2754 1647.1706 0.65_678.9977m/z 678.9977 0.65 821.1620 774.1674 933.4637 852.1653 862.2359 876.8203 0.65_900.9447m/z 900.9447 0.65 711.6855 730.7438 609.4064 606.5780 511.4248 609.9393 0.65_933.9300n 956.9413 0.65 1285.0398 1504.9112 1278.6876 1109.5233 1252.6643 1321.6658 0.66_114.0578m/z 114.0578 0.66 3787.1679 3462.9751 3708.5535 3374.2308 3560.7355 3619.9296 0.66_136.0487m/z 136.0487 0.66 244.5893 208.3895 215.9463 201.9572 183.6159 228.4280 C4H7N3O Creatinine Creatinine HMDB00562 HIGH 0.66_323.0186m/z 323.0186 0.66 400.2983 350.4215 449.4065 433.4040 359.8292 352.1609 0.66_381.0271m/z 381.0271 0.66 12096.2588 13212.3014 12335.3638 12787.4239 12033.8643 12800.9572 0.66_397.0001m/z 397.0001 0.66 5807.8690 6229.9822 5644.9382 5858.7590 5661.9905 5938.3360 0.66_417.9784n 418.9857 0.66 3959.0128 4153.3989 3925.7912 3965.9086 3875.9081 3990.6910 0.66_432.9774m/z 432.9774 0.66 482.2346 463.0446 416.3321 446.6791 404.3739 428.2285 0.66_434.0074n 417.0041 0.66 2540.2389 2609.6919 2449.2588 2426.5497 2348.8428 2447.7165 0.66_454.9588m/z 454.9588 0.66 1695.7018 1749.4112 1570.6140 1639.4896 1583.3342 1590.9721 0.66_500.9840m/z 500.9840 0.66 808.8719 771.7194 800.0969 735.9705 724.8523 743.0141 0.66_516.9550m/z 516.9550 0.66 602.1246 534.2744 452.3997 500.3585 445.8556 436.5301 0.66_522.9453m/z 522.9453 0.66 710.6785 718.7908 664.8756 710.8949 610.0019 663.3924 0.66_588.0435n 571.0402 0.66 1905.8865 2056.4310 1636.4450 1760.8937 1539.0879 1726.7749 0.66_595.0037m/z 595.0037 0.66 217.1971 302.8501 171.0024 195.3128 157.5076 221.1429 0.66_603.9636n 621.9975 0.66 2131.7905 2373.0781 1846.8432 2086.4536 1859.0908 2060.2773 0.66_604.4786n 622.5124 0.66 480.4652 505.5757 459.4823 380.1142 385.7008 429.9562 0.66_607.0157n 608.0021 0.66 1236.9440 1419.2466 1096.8124 1272.7678 1109.9071 1240.4187 0.66_615.0090n 615.9913 0.66 1317.5593 1463.1162 1076.2811 1180.9917 987.1681 1148.4015 0.66_617.0162n 634.9717 0.66 1050.8337 1167.9985 831.6442 1035.6304 905.9157 1007.7902 0.66_619.4948m/z 619.4948 0.66 261.7948 258.6158 199.2879 247.3255 205.0733 222.8584 0.66_627.9931m/z 627.9931 0.66 554.4634 695.3686 551.0536 668.5613 581.7408 629.4974 0.66_629.9875m/z 629.9875 0.66 1232.7944 1266.7204 1163.0317 1215.9458 1195.7374 1203.8442 0.66_637.9705m/z 637.9705 0.66 1166.4386 1335.1474 1072.7968 1119.8033 1107.3985 1159.1785 0.66_638.4852m/z 638.4852 0.66 317.4238 299.4528 323.0602 304.3232 263.0071 288.2994 0.66_658.9760m/z 658.9760 0.66 284.1812 332.6058 264.9295 265.6048 201.6378 257.1370 0.66_675.9892n 676.9977 0.66 1115.9134 1115.7114 1116.9496 1098.5644 1081.2294 1127.8162 0.66_687.9509m/z 687.9509 0.66 296.6861 301.3424 298.9054 297.3645 260.9413 255.9908 0.66_732.5172n 733.5578 0.66 581.0415 830.1745 496.0825 621.9561 557.6098 588.5068 0.66_757.5360n 758.5433 0.66 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514.2819 625.3506 391.9175 495.0487 381.8998 525.2757 0.67_867.1073n 890.0952 0.67 2527.1793 3075.0254 2204.8862 2257.6698 2115.2564 2453.0726 0.67_870.1072n 871.1144 0.67 1510.5229 1847.6748 1447.4824 1653.8572 1363.8544 1623.5391 0.67_871.6139m/z 871.6139 0.67 358.1050 480.3007 345.6277 374.6634 282.5610 362.7639 0.67_878.6004n 901.5896 0.67 833.8798 1141.5079 877.6846 880.4612 817.3793 945.8904 0.67_881.0946n 882.1019 0.67 1975.7365 2321.2649 1549.4218 1760.1571 1490.7432 1862.3853 0.67_882.6060m/z 882.6060 0.67 497.5145 624.0030 445.8120 505.8924 366.1329 464.4438 0.67_887.1063m/z 887.1063 0.67 537.3055 607.8482 271.4254 396.3062 309.3275 392.6423 0.67_887.6084m/z 887.6084 0.67 187.4751 247.0990 209.7754 215.0479 215.1310 215.9363 0.67_891.6208n 909.5849 0.67 392.4069 608.4527 382.3014 502.6164 333.3044 565.1166 0.67_892.5893n 893.5966 0.67 573.9471 839.7603 612.1205 626.1789 577.6406 702.0664 0.67_895.0878n 896.0951 0.67 1015.5199 1350.9238 640.7573 826.0759 601.8764 857.1625 0.67_898.0846m/z 898.0846 0.67 442.7366 525.5854 440.4018 521.9144 409.6459 504.3330 0.67_898.5969m/z 898.5969 0.67 159.0966 293.8824 203.9087 244.0653 183.0719 233.7469 0.67_906.6211n 890.5985 0.67 484.0679 642.9260 508.9447 563.3542 403.8056 580.3559 0.67_907.0841m/z 907.0841 0.67 741.4329 807.3351 579.3509 651.0761 475.7124 741.2437 0.67_909.0774m/z 909.0774 0.67 644.4919 824.6534 591.1637 634.7015 622.1542 691.5510 0.67_911.0701n 912.0774 0.67 1937.3999 2390.7869 1595.3654 1791.8509 1625.2527 1948.6088 0.67_911.5717n 912.5790 0.67 524.8167 784.1967 423.2318 569.5001 443.0838 599.9535 0.67_920.0696m/z 920.0696 0.67 781.2476 847.0960 621.0751 683.1698 619.8260 796.5496 0.67_922.5638n 923.5711 0.67 397.3312 589.8165 403.4775 465.7127 317.9477 513.8287 0.67_923.0740m/z 923.0740 0.67 886.8577 1066.9452 972.8045 910.6658 949.4329 1091.8465 0.67_925.0579n 926.0652 0.67 931.1001 1241.6505 965.3690 1088.6319 833.5732 1174.9384 0.67_931.5674m/z 931.5674 0.67 173.0544 251.5960 165.4730 163.1258 175.4615 205.1467 0.67_936.5942n 920.5716 0.67 433.8138 480.6941 268.6317 357.1487 338.9178 301.3961 0.67_949.0490n 950.0563 0.67 708.1935 838.9056 527.2091 670.7548 544.6507 657.4320 0.68_145.0891n 146.1181 0.68 1085.6937 1005.4997 1091.6607 1020.3892 1043.3301 1088.2659 0.68_279.0576m/z 279.0576 0.68 914.8816 930.4190 899.9620 865.5323 871.7522 848.8504 0.68_315.0805m/z 315.0805 0.68 845516.4643 821815.3202 874180.9512 823102.2358 859598.6728 861559.2498 C10H16N2O8 Edetic Acid Edetic Acid HIGH 0.68_315.2272m/z 315.2272 0.68 17526.1775 15794.7547 16693.3147 15642.5180 16490.2681 14147.1558 0.68_315.2747m/z 315.2747 0.68 4127.2349 3301.5407 4043.9157 3865.5966 4170.2189 2109.1781 0.68_315.3250m/z 315.3250 0.68 3118.8880 2936.9404 3483.4179 2701.9058 2715.5039 1349.1303 0.68_315.5682m/z 315.5682 0.68 2064.2763 1478.8519 1636.8578 1409.8644 1503.2107 1255.4967 0.68_347.0753n 331.0527 0.68 68253.0993 64611.3054 68934.9730 64203.3724 67157.5680 66113.9326 0.68_353.0359m/z 353.0359 0.68 15721.3217 16107.9226 15820.4164 15474.6339 15387.2657 15817.9651 0.68_651.1356m/z 651.1356 0.68 20945.1690 19844.4325 21205.0312 19852.5734 20476.6446 20294.5755 0.68_666.0459n 689.0890 0.68 14451.6174 14330.4229 14114.4594 13440.0712 13642.0067 14075.8076 0.68_667.1058m/z 667.1058 0.68 15039.9302 13053.4702 13484.0902 12405.2039 13108.5157 12532.1150 0.68_673.1176m/z 673.1176 0.68 25068.5041 22930.2136 23581.5598 21971.5470 22542.8662 23059.4648 0.68_680.5995n 703.5874 0.68 527.5438 604.6606 505.5089 590.9720 543.7279 552.0848 0.68_692.5966m/z 692.5966 0.68 279.5517 305.5783 328.0401 296.6731 290.0847 343.4688 0.68_711.0728m/z 711.0728 0.68 11902.0362 12092.5086 11222.3290 11298.5221 11110.4604 11275.8770 0.68_819.6654m/z 819.6654 0.68 158.1497 158.4665 169.4863 145.1101 196.7122 153.4013 0.68_823.6145n 841.6484 0.68 421.0171 587.4580 412.0978 451.2776 463.2089 432.7232 0.68_826.1405n 849.1319 0.68 1264.9042 1385.3144 1156.4234 1223.3302 1161.1593 1254.6388 0.68_827.6475m/z 827.6475 0.68 165.9616 199.3232 171.6113 202.7533 133.9563 138.4814 0.68_829.6503n 852.6370 0.68 522.2551 525.9419 518.1637 573.8139 483.5504 590.2504 0.68_837.6355n 860.6229 0.68 792.3546 916.3712 712.4011 831.3009 691.4050 836.2809 0.68_838.1390m/z 838.1390 0.68 800.1759 790.7296 560.1672 571.7380 536.1211 630.6578 0.68_840.1358n 863.1253 0.68 1763.7751 2060.3293 1686.1079 1706.2558 1524.2761 1818.6696 0.68_846.1254m/z 846.1254 0.68 489.9243 549.2748 401.3589 397.5403 398.4067 475.3601 0.68_849.6344m/z 849.6344 0.68 374.1976 413.4250 385.1348 382.1251 334.7254 405.7377 0.68_857.1227m/z 857.1227 0.68 655.2817 807.0600 673.7041 689.0597 704.6213 735.2040 0.68_857.6225m/z 857.6225 0.68 249.2454 308.1325 265.5989 283.4895 230.4108 302.3600 0.68_876.1067m/z 876.1067 0.68 344.2542 415.1273 273.7685 262.4195 217.2420 271.6578 0.68_90.0559m/z 90.0559 0.68 690.3539 679.7672 645.2924 644.0358 584.7010 616.8901 C8H10 p-Xylene p-xylene 27417 MEDIUM 0.68_965.2087m/z 965.2087 0.68 14435.9732 11611.5263 12915.6883 11639.3771 12213.0556 11639.7295 0.68_969.6578n 987.6916 0.68 670.7797 651.7225 733.3832 726.3655 774.9615 622.0585 0.68_972.1861n 995.1736 0.68 2521.8480 2421.5817 2559.7938 2299.3073 2408.3875 2493.4366 0.68_972.6901n 995.6817 0.68 806.3848 756.3543 875.2189 807.7535 835.3789 811.6637 0.68_975.6942n 976.7014 0.68 562.5008 517.7529 551.3915 541.1209 581.6611 647.0611 0.68_981.1818m/z 981.1818 0.68 5205.8890 4808.3946 5149.0064 4728.9862 4930.2227 4696.3410 0.68_984.1693m/z 984.1693 0.68 2683.1792 1882.6279 1894.1024 1635.8942 1724.7500 1621.9350 0.68_984.6885m/z 984.6885 0.68 432.0962 460.1709 475.7705 476.7619 475.6609 482.3724 0.68_987.1910m/z 987.1910 0.68 9038.8451 7787.3611 8194.5997 7577.9122 7727.4078 7589.7556 0.68_992.1444m/z 992.1444 0.68 1716.1695 1457.6109 1545.0245 1372.2505 1350.1938 1441.8676 0.68_998.1658m/z 998.1658 0.68 1275.4923 1249.2067 1055.0584 1087.6275 1155.0655 1092.5383 0.69_138.0553m/z 138.0553 0.69 574.2966 574.0039 566.4619 574.7847 560.9977 559.6685 C7H9NO3 Methacryloyloxyethyl isocyanate MEDIUM 0.69_203.1514m/z 203.1514 0.69 573.8476 583.0976 549.7973 611.0067 538.6644 515.6006 C8H18N4O2 Symmetric dimethylarginine Symmetric dimethyl-L-arginine 61914 MEDIUM 0.69_257.0752m/z 257.0752 0.69 3631.9582 3386.7884 3704.9230 3502.1477 3550.2024 3531.1438 0.69_271.0899m/z 271.0899 0.69 414.2397 395.4828 363.7570 379.0234 363.5945 334.6432 0.69_457.0153m/z 457.0153 0.69 570.5129 630.0875 451.7257 453.6588 396.4151 469.4009 0.69_629.1543m/z 629.1543 0.69 42980.8022 37478.5607 43735.8309 39818.6873 43009.9479 40091.1294 0.69_645.1241m/z 645.1241 0.69 20098.4565 18138.2597 20078.0805 17893.7368 18918.1012 18529.7972 0.69_705.0580m/z 705.0580 0.69 3864.9393 3939.4978 3797.0993 3618.1239 3556.6095 3718.1435 0.69_743.0149m/z 743.0149 0.69 612.6882 534.2910 545.8253 472.7256 472.7365 517.2375 0.69_943.2284m/z 943.2284 0.69 12579.3892 10561.5762 12453.2374 11157.2276 11996.5259 11011.7742 0.69_959.1976m/z 959.1976 0.69 8843.6259 6631.6085 7118.7799 6404.6323 6696.4301 6289.0776 0.69_981.6857m/z 981.6857 0.69 218.7316 204.9271 218.6486 202.4819 274.4749 195.0638 0.71_116.0713m/z 116.0713 0.71 1765.4740 1656.8054 1722.5277 1676.1902 1700.7491 1633.4218 C5H9NO2 L-Proline Proline HMDB00162 MEDIUM 0.71_315.1384m/z 315.1384 0.71 3459.9658 3387.1662 2991.2162 3265.8804 3121.5035 3323.9426 0.71_682.0652m/z 682.0652 0.71 4262.8399 3958.0203 3923.3072 3729.2046 3762.8958 3667.6629 0.71_70.0668m/z 70.0668 0.71 485.8146 480.1869 495.8539 473.6831 488.1561 487.1694 0.72_239.0645m/z 239.0645 0.72 509.3331 477.6912 499.1938 492.7998 462.3931 487.9315 0.73_130.0867m/z 130.0867 0.73 335.7010 316.7185 314.9679 315.5072 322.8261 331.8907 C6H11NO2 Nipecotic acid MEDIUM 0.73_171.0775m/z 171.0775 0.73 240.3401 270.0766 295.2083 260.9967 262.7276 275.0873 C7H12N2O4 N-Acetylglutamine N-Acetylglutamine HMDB06029 MEDIUM 0.73_187.0663m/z 187.0663 0.73 3064.5806 3040.6093 3147.8605 3040.6553 3139.1404 3084.4681 0.73_355.0143m/z 355.0143 0.73 3233.1613 2983.5652 3106.9490 2867.4116 2904.5456 2922.3906 0.73_357.0105m/z 357.0105 0.73 2390.7618 2316.5764 2483.9021 2271.5679 2403.1140 2393.0581 0.73_937.2111m/z 937.2111 0.73 4537.9342 4125.7750 4337.7038 3970.5163 4076.4058 4006.1216 0.74_144.1021m/z 144.1021 0.74 20332.3817 20515.0963 20677.8445 20079.5005 20819.5183 19981.6283 C7H15NO3 L-Carnitine Carnitine 16347 MEDIUM 0.74_511.1097m/z 511.1097 0.74 1746.7775 1636.6282 1605.9970 1611.3346 1585.5871 1507.3402 0.75_160.0609m/z 160.0609 0.75 310562.5608 289856.2501 318176.6750 272776.5104 284392.3151 310915.3630 C6H6O4 Kojic acid 34805 HIGH 0.75_160.1642m/z 160.1642 0.75 2635.9155 2029.8253 2286.5329 1851.4968 1957.3960 1749.1794 0.75_229.1194m/z 229.1194 0.75 466.7968 470.9433 434.1425 436.0939 456.3661 419.7598 C10H13NO4 Methyldopa Methyldopa 61058 HIGH 0.75_247.0935m/z 247.0935 0.75 32555.3789 30257.2709 33302.4518 28462.2962 29767.1075 31853.8345 C13H12N4 "1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine" 76290 MEDIUM 0.75_293.0995m/z 293.0995 0.75 1644125.2780 1538005.8790 1686360.9910 1440568.2230 1503203.4460 1653622.4490 C10H16N2O8 Edetic Acid Edetic Acid HIGH 0.75_293.2406m/z 293.2406 0.75 29465.8336 25955.6817 28103.3091 24496.8805 25376.4579 24774.7074 0.75_293.2865m/z 293.2865 0.75 8508.1293 6670.4698 8326.4392 7289.1610 7876.9115 5116.1937 0.75_293.3333m/z 293.3333 0.75 7087.6947 6240.4806 7255.5397 5888.6075 5526.8644 4219.6612 0.75_293.5682m/z 293.5682 0.75 4650.0750 3369.5318 3790.3544 2995.5491 3052.2678 3207.3548 0.75_609.1499m/z 609.1499 0.75 1490.5992 1390.5688 1446.3225 1276.0418 1307.9341 1357.2193 0.75_88.0404m/z 88.0404 0.75 1388.0041 1260.0929 1412.1356 1325.6588 1315.5262 1371.7844 C8H8 Styrene Styrene 27452 MEDIUM 0.75_901.2416m/z 901.2416 0.75 1723.0690 1560.9480 1908.8330 1580.6677 1654.0300 1723.0267 0.76_132.0672m/z 132.0672 0.76 22846.8252 21474.2965 23414.4170 21060.5020 21793.4867 22445.5542 C6H7N5 7-Methyladenine HMDB11614 0.76_134.0455m/z 134.0455 0.76 1368.4058 1165.3882 1329.5039 1165.2015 1234.0232 1296.5828 C4H7NO4 D-Aspartic acid Aspartic acid HMDB06483 MEDIUM 0.76_607.1635m/z 607.1635 0.76 1979.9052 1694.5467 1970.4201 1706.6673 1835.2101 1836.9822 0.76_660.0833m/z 660.0833 0.76 10485.5667 9368.1859 9870.0569 9203.8065 9582.2206 9363.7407 0.76_698.0317m/z 698.0317 0.76 4835.1598 4302.8390 4363.6258 3969.6489 4012.5685 4043.1155 0.76_86.0612m/z 86.0612 0.76 1342.4671 1216.7096 1332.1874 1202.4301 1246.8585 1249.3233 0.76_899.2573m/z 899.2573 0.76 814.4812 705.8367 826.6303 743.4025 760.6190 766.1910 0.76_921.2422m/z 921.2422 0.76 3537.6965 3061.1173 3356.7495 3050.4858 3161.6490 3155.5414 0.76_952.1768m/z 952.1768 0.76 12891.2009 10802.5809 11272.2728 9818.4060 10048.4986 10406.2359 0.76_974.1600m/z 974.1600 0.76 8013.8770 6618.5326 6731.5848 6247.0078 6288.5245 6127.5783 0.77_102.0558m/z 102.0558 0.77 4321.6154 4096.6139 4358.3836 3895.6975 4012.8250 4280.2391 C4H9NO3 L-Homoserine Homoserine HMDB00719 MEDIUM 0.77_74.0615m/z 74.0615 0.77 875.9684 795.7356 882.9528 803.4832 843.4359 843.7755 0.77_915.2306m/z 915.2306 0.77 12401.6401 11083.9439 12247.4669 10671.2336 11050.3685 11589.7663 0.77_930.1954m/z 930.1954 0.77 19371.0401 15643.2989 17308.2419 13845.9323 14403.0055 15976.3604 0.77_969.1465m/z 969.1465 0.77 2558.0366 2010.7898 2097.2485 1742.9356 1764.7219 1925.8363 0.78_623.1377m/z 623.1377 0.78 24398.2745 22634.3071 24733.9114 21475.4322 21686.4699 23615.4073 0.80_307.1147m/z 307.1147 0.80 516.7069 524.0687 546.9476 548.5928 573.7704 547.6042 0.80_638.1022m/z 638.1022 0.80 10785.3885 9098.2052 9701.5046 8246.6306 8230.8692 9163.2357 0.81_186.1130m/z 186.1130 0.81 2017.1718 1985.1434 1780.7569 1785.9499 1796.9075 1845.3718 C14H18O 2-Pentyl-3-phenyl-2-propenal MEDIUM 0.81_277.1030m/z 277.1030 0.81 143.5688 109.6229 139.7867 134.4512 139.0659 120.5269 0.81_287.0564m/z 287.0564 0.81 2146.6025 2067.9256 2091.1413 1882.2713 1975.0272 1978.6102 C15H10O6 Kaempferol 28499 MEDIUM 0.82_235.0935m/z 235.0935 0.82 26102.5826 23746.5451 25818.2092 22527.6260 23662.3809 25287.9498 C13H17NO4 "2,5-Pyridinedicarboxylic acid, dipropyl ester" MEDIUM 0.82_324.0033m/z 324.0033 0.82 2311.6435 2029.6437 2041.2110 1909.8355 1964.4929 1907.6191 0.85_310.1771m/z 310.1771 0.85 517.8831 510.0367 520.9318 496.0653 499.3682 506.4492 0.86_189.0877m/z 189.0877 0.86 4262.6695 4033.6880 4337.4924 4009.3764 4131.1892 4269.8296 C7H12N2O4 N-Acetylglutamine N-Acetylglutamine HMDB06029 MEDIUM 0.86_229.1191m/z 229.1191 0.86 453.9824 424.4409 408.5816 399.4188 368.0819 402.4159 C10H13NO4 3-Methoxytyrosine 3-Methoxytyrosine MEDIUM 0.86_265.0218m/z 265.0218 0.86 242.2957 220.2077 214.8007 212.1352 231.8088 200.7747 0.87_166.0263m/z 166.0263 0.87 5351.3005 5018.5979 5480.8914 5018.3049 5236.7012 5496.1136 0.87_166.5279m/z 166.5279 0.87 628.9573 599.1731 613.9871 584.8436 597.7620 636.5327 0.87_175.0328m/z 175.0328 0.87 2145.4597 2061.9398 2345.0087 2140.0647 2309.9898 2329.6410 0.87_175.5343m/z 175.5343 0.87 381.8798 326.3248 316.6627 312.4307 371.4964 328.2296 0.87_260.1134m/z 260.1134 0.87 673.0815 554.9884 597.9154 453.3378 348.5794 215.6845 0.88_160.1331m/z 160.1331 0.88 1073.1269 1035.7867 1000.8912 974.5493 948.4452 1020.6208 C8H14O2 2-Propenyl 3-methylbutanoate MEDIUM 0.88_429.0213m/z 429.0213 0.88 1899.5389 1629.9664 1758.9119 1618.9393 1712.3698 1709.3785 0.89_192.0338m/z 192.0338 0.89 238.5217 227.4418 206.6601 226.9565 247.2171 214.4786 0.90_677.0531m/z 677.0531 0.90 4240.4483 3450.5402 3595.2017 3199.5656 3211.8209 3400.8851 0.93_367.9933m/z 367.9933 0.93 2526.2042 2342.1400 2328.4541 2151.0116 2215.6876 2139.0314 0.94_463.0907m/z 463.0907 0.94 1378.3991 1300.0111 1293.6158 1240.8054 1174.8977 1220.6330 C20H22CaO10 Prohexadione-calcium MEDIUM 0.94_72.0824m/z 72.0824 0.94 267.1658 250.3640 250.6688 245.0160 226.3274 243.0187 0.97_385.9738m/z 385.9738 0.97 658.9384 578.5445 600.8992 505.4859 556.6811 560.9066 0.98_130.0867m/z 130.0867 0.98 1773.7411 1742.3561 1712.4475 1666.1706 1735.0013 1784.6154 C6H11NO2 D-Pipecolic acid D-Pipecolic acid HMDB05960 MEDIUM 0.99_186.1132m/z 186.1132 0.99 3382.7482 3264.8043 3340.4076 3348.0278 3421.9775 3619.5919 C14H18O 2-Pentyl-3-phenyl-2-propenal MEDIUM 1.00_217.1312m/z 217.1312 1.00 605.4062 612.6740 616.9051 630.6266 632.1262 662.1779 C8H16N4O3 N-a-Acetyl-L-arginine N-acetylarginine HMDB04620 MEDIUM 1.00_222.0442m/z 222.0442 1.00 628.9668 568.3462 611.4224 642.4260 634.8562 652.4834 1.01_275.0097m/z 275.0097 1.01 421.6299 397.4374 414.8243 395.8187 400.4843 396.6333 C10H14NO5PS Parathion 27928 MEDIUM 1.01_473.9892m/z 473.9892 1.01 367.0376 298.2807 324.4287 298.4956 314.2079 294.8901 1.03_178.0869m/z 178.0869 1.03 299.4459 277.7111 284.4743 292.1263 282.3995 285.6440 1.03_258.0312m/z 258.0312 1.03 3253.9347 3000.7749 3114.9107 2885.1089 2941.1644 2974.0233 1.03_302.0215m/z 302.0215 1.03 21406.8289 19987.9662 21406.1804 17745.4361 18287.5544 20327.7037 1.03_344.0157m/z 344.0157 1.03 1327.8058 1254.9333 1343.6230 1184.8691 1210.8331 1216.8889 1.03_660.0817m/z 660.0817 1.03 541.3777 515.7319 510.6503 380.8443 382.7744 459.6963 1.04_119.0177m/z 119.0177 1.04 155.5903 141.0656 163.4031 168.4045 169.6917 156.7052 1.04_145.0502m/z 145.0502 1.04 1680.5323 1755.2429 1868.6592 1715.7112 1683.8849 1495.1562 1.04_204.1237m/z 204.1237 1.04 21453.1724 22426.6310 25266.9449 22924.8821 21769.9090 18612.9002 1.04_249.6563m/z 249.6563 1.04 103.7897 130.3900 112.2646 127.0547 106.4672 133.1210 1.04_85.0297m/z 85.0297 1.04 767.0428 812.7714 835.4176 740.0493 680.5573 643.1635 1.05_208.0491n 209.0564 1.05 1150.0698 1115.7617 1196.4151 1197.6738 1238.9663 1101.4117 1.05_245.0773m/z 245.0773 1.05 296.8798 281.3222 295.6222 289.3960 254.7804 242.4466 C12H14O4 Monobutylphthalate MEDIUM 1.05_247.8180m/z 247.8180 1.05 1156.0716 1266.9737 1276.7388 1191.6784 1269.4100 1344.0734 1.05_248.4866m/z 248.4866 1.05 91.6157 98.2994 91.4781 99.2102 82.9562 94.8126 1.05_269.1243m/z 269.1243 1.05 678.6540 727.5464 753.1205 715.4431 696.1635 742.0184 C11H16N4O4 Pentostatin Pentostatin MEDIUM 1.05_371.2232m/z 371.2232 1.05 798.4662 749.1812 797.8970 796.9527 776.0964 872.3479 1.05_564.0210m/z 564.0210 1.05 1302.7469 1167.9958 1275.3102 1106.5990 1198.2248 1173.0564 1.06_151.0202m/z 151.0202 1.06 341.2696 365.0609 372.0673 384.6259 397.5917 386.0877 1.06_203.1397m/z 203.1397 1.06 432.3735 429.5653 380.2880 378.0785 384.4897 423.5590 1.06_338.1833m/z 338.1833 1.06 512.0645 507.6820 511.7404 561.3980 573.5807 451.6917 1.06_371.7246m/z 371.7246 1.06 296.5905 285.3042 262.3649 294.8264 280.9809 321.1629 1.06_519.9960m/z 519.9960 1.06 594.9492 534.4298 570.7682 496.0033 519.7857 537.2758 1.07_128.9864m/z 128.9864 1.07 1243.6054 1095.1001 978.5790 946.5493 995.4216 962.7093 1.07_226.9623m/z 226.9623 1.07 973.6806 905.6072 892.0165 873.6271 888.2767 900.5539 1.07_84.0819m/z 84.0819 1.07 518.5106 520.2603 478.0749 527.1823 509.1681 529.3923 1.08_100.9918m/z 100.9918 1.08 583.7211 518.0119 521.3410 499.2469 528.5073 486.2461 1.08_110.9761m/z 110.9761 1.08 1054.7178 1006.8447 1019.8417 998.0184 1010.3638 967.8253 1.08_134.1183m/z 134.1183 1.08 35.9501 30.7954 28.3647 23.0713 51.7048 58.7991 C6H12O2 Polyvinyl acetate MEDIUM 1.08_146.9976m/z 146.9976 1.08 1050.9407 981.6390 1029.8934 1019.9532 1035.7851 999.9742 1.08_158.1180m/z 158.1180 1.08 772.7185 751.5838 729.4752 723.4624 746.1192 669.2075 1.08_172.0068n 173.0127 1.08 2511.1050 2403.1714 2583.0576 2428.1692 2599.3231 2473.9920 1.08_177.0322m/z 177.0322 1.08 379.8972 388.6645 434.0930 420.8160 456.7577 443.9791 1.08_191.9956n 174.9923 1.08 3368.2409 3018.4243 3376.2811 3291.0650 3443.7593 3164.5621 1.08_205.0283m/z 205.0283 1.08 910.7602 838.6508 852.2048 856.8808 921.1848 848.2112 C6H9AlO6 Aluminum triacetate MEDIUM 1.08_236.0216n 219.0183 1.08 4835.4768 4499.6097 4855.1883 4596.2442 4710.7606 4570.5358 1.08_86.0976m/z 86.0976 1.08 26.3422 29.7766 10.0221 28.7965 24.4319 22.0411 1.10_103.0498n 104.0538 1.10 1373.0529 1296.3103 1305.3248 1276.2385 1293.7735 1301.9827 1.10_149.0550n 133.0324 1.10 5927.0426 5578.4512 5498.2622 5558.6235 5656.9921 5499.4608 1.10_288.2042m/z 288.2042 1.10 1234.1613 1099.0758 1256.0504 1254.1323 1274.6195 1109.3185 1.10_348.0716m/z 348.0716 1.10 2787.6506 2716.5015 2662.8126 2661.2301 2565.3366 2634.2069 C10H14N5O7P 3'-AMP HMDB03540 HIGH 1.10_495.0616m/z 495.0616 1.10 300.7819 233.8218 231.5352 235.7686 219.2046 244.7661 1.12_142.0867m/z 142.0867 1.12 287.4480 267.9362 270.4706 278.0951 267.6423 292.8812 C7H11NO2 L-Hypoglycin A MEDIUM 1.12_175.1199m/z 175.1199 1.12 716.3980 669.7408 712.8900 692.9790 694.1405 722.8826 C6H14N4O2 L-Arginine Arginine 16467 MEDIUM 1.13_229.0259m/z 229.0259 1.13 240.4902 248.1028 257.3047 224.8874 263.3412 231.4204 1.13_444.9896m/z 444.9896 1.13 524.6115 479.1520 482.9351 453.8576 457.4478 469.8849 1.14_166.0113n 189.0056 1.14 7125.3220 6464.7668 7217.6294 7160.3262 7443.8283 7103.3225 1.14_182.4991m/z 182.4991 1.14 153.3585 138.1143 162.2995 166.2469 160.2055 173.5607 1.14_211.0004n 212.0084 1.14 17372.3775 15286.6707 16429.1415 16330.4582 17487.7314 16904.5523 1.14_599.0592m/z 599.0592 1.14 233.2313 208.4913 186.7763 188.9436 220.9388 175.0112 1.14_68.9988m/z 68.9988 1.14 295.2635 281.5932 263.1929 263.5833 271.0928 253.7797 1.15_111.0072m/z 111.0072 1.15 1498.5808 1409.2710 1463.6618 1457.0638 1510.5952 1457.2868 1.15_134.0056m/z 134.0056 1.15 1883.2009 1730.8935 1803.4888 1722.5052 1888.5548 1880.5902 1.15_135.5029m/z 135.5029 1.15 43.0715 36.8832 34.2955 36.8570 38.5080 33.9069 1.15_136.9995m/z 136.9995 1.15 356.7802 301.4330 315.7040 304.3096 335.1804 340.7840 1.15_139.0033m/z 139.0033 1.15 1059.9039 995.0290 1080.1258 1040.9887 1084.1848 1049.5478 C6H4O5 "2,5-Furandicarboxylic acid" HMDB04812 MEDIUM 1.15_140.9868m/z 140.9868 1.15 274.6657 257.3782 269.6924 234.6692 267.3433 248.4346 1.15_144.5096m/z 144.5096 1.15 106.2471 97.1933 94.7859 100.9720 102.9817 96.2548 1.15_166.5046n 189.5080 1.15 763.6286 703.9763 711.5240 723.8863 770.9279 727.1492 1.15_170.9951m/z 170.9951 1.15 452.2790 418.7032 476.4105 437.1688 505.7529 464.5693 1.15_174.0015n 175.0293 1.15 8358.6384 7716.6332 8250.8028 7413.3198 7705.7141 7912.3418 1.15_180.0002m/z 180.0002 1.15 5690.8401 5112.1302 5713.0694 5648.9663 5972.2517 5773.6842 1.15_180.5021m/z 180.5021 1.15 748.4162 704.7084 716.8182 752.6280 786.2208 786.7683 1.15_181.9973m/z 181.9973 1.15 1576.2808 1432.4704 1514.6391 1485.0142 1637.3590 1559.3277 1.15_191.0075m/z 191.0075 1.15 3156.1061 2964.1398 3054.0331 2955.0778 3152.6202 3028.1476 1.15_191.5054m/z 191.5054 1.15 85.5331 67.7904 88.6060 85.9088 85.5639 98.8823 1.15_192.0326n 215.0170 1.15 77299.8564 73135.4952 75345.9689 72700.5963 76447.7317 74066.1552 1.15_212.5105m/z 212.5105 1.15 2284.4154 2075.7025 2189.8670 2190.9540 2300.3390 2248.2842 1.15_319.0029m/z 319.0029 1.15 972.9664 898.5496 982.0346 977.6423 1064.8854 1005.0960 1.15_407.0343m/z 407.0343 1.15 4262.7444 3991.2431 4007.8911 3968.2583 4079.1644 4061.0916 1.15_409.0213m/z 409.0213 1.15 11953.3574 11064.7628 11649.6857 11141.2349 11842.3361 11296.6716 1.15_410.9880n 393.9847 1.15 8827.5408 8194.9908 8544.5721 8568.0840 9023.8410 8356.7048 1.15_422.0035n 423.0099 1.15 43520.5591 39973.4847 41508.8679 39924.1151 41258.3458 41102.0328 1.15_437.9749n 438.9822 1.15 18560.6058 15895.9830 16512.9143 17117.7386 18091.4564 16310.0342 1.15_437.9752m/z 437.9752 1.15 3376.5339 3007.2444 3053.0877 3053.1320 3134.3888 2862.1785 1.15_446.9707m/z 446.9707 1.15 387.5989 368.2964 431.1920 418.7021 418.6708 402.1086 C9HF17O2 Perfluorononanoic acid CHEBI:38397 MEDIUM 1.16_124.9968m/z 124.9968 1.16 468.7526 448.8145 519.3847 506.2818 519.6234 522.2970 1.16_131.0183m/z 131.0183 1.16 183.9747 159.1878 183.6411 190.3311 194.6425 170.5439 1.16_146.0061m/z 146.0061 1.16 409.3688 349.7385 397.2556 388.1967 381.4013 392.2017 1.16_165.4962n 166.5090 1.16 158.5192 112.7445 110.1979 103.3973 106.5235 105.8598 1.16_248.9935m/z 248.9935 1.16 812.6204 719.5713 790.3647 748.4951 774.8767 735.4428 1.16_312.4837m/z 312.4837 1.16 208.3648 185.9304 207.2133 215.5311 223.0687 202.1949 1.16_334.9820m/z 334.9820 1.16 1727.8785 1471.3637 1637.0699 1637.0635 1748.6359 1589.3242 1.16_384.5110m/z 384.5110 1.16 165.0813 135.0358 146.3956 111.4040 102.1039 138.8624 1.16_389.0202m/z 389.0202 1.16 387.9629 344.1984 376.2824 356.2019 305.9420 333.2840 1.16_427.0025m/z 427.0025 1.16 987.5727 845.9116 853.5126 824.9499 881.5891 926.8987 1.16_433.1582m/z 433.1582 1.16 827.4886 817.6425 905.0796 902.8420 930.1406 816.1627 1.16_449.9689m/z 449.9689 1.16 379.5794 388.8497 378.3522 370.5729 397.4121 324.6896 1.16_614.0305n 615.0377 1.16 11247.8778 10425.2527 11378.9180 10599.3672 10855.9510 10762.3356 1.16_859.9758m/z 859.9758 1.16 631.9940 598.8476 581.1528 543.2358 619.1053 534.7639 1.17_499.9995m/z 499.9995 1.17 180.1335 149.8246 164.3980 132.5564 134.7354 135.4316 1.17_520.9856m/z 520.9856 1.17 1913.2253 1646.9489 1812.2015 1606.3204 1622.8466 1677.7746 1.18_118.0869m/z 118.0869 1.18 504.1265 449.4950 486.9627 428.0724 420.4907 381.2317 C5H11NO2 5-Aminopentanoic acid 5-Aminopentanoic acid HMDB03355 MEDIUM 1.18_216.1240m/z 216.1240 1.18 810.5525 621.5362 692.1971 525.8439 382.5923 155.8179 1.18_261.1223n 262.1296 1.18 13673.9990 10423.2595 11698.2488 9033.0692 6900.8130 3275.1702 C11H19NO6 Lotaustralin Lotaustralin MEDIUM 1.18_280.1402m/z 280.1402 1.18 2016.4030 1478.8840 1689.3167 1230.3060 992.6974 451.2134 1.18_286.1522m/z 286.1522 1.18 1707.2022 1636.5000 1641.1669 1701.5866 1700.9174 1684.8929 C11H16N4O4 Pentostatin Pentostatin MEDIUM 1.18_499.4971m/z 499.4971 1.18 497.0257 409.2840 411.8526 368.8002 375.5048 421.6163 1.18_638.9958m/z 638.9958 1.18 457.1857 408.9483 419.4688 464.5944 450.4411 460.0240 1.18_768.0127m/z 768.0127 1.18 2011.0549 1797.6604 1990.2089 1600.6501 1639.1475 1921.1122 1.20_328.9666m/z 328.9666 1.20 521.9231 442.8779 477.2929 455.5185 440.5377 471.7198 1.21_224.9925m/z 224.9925 1.21 646.0190 639.5224 704.2198 689.9889 633.4366 610.2226 1.21_268.9618m/z 268.9618 1.21 605.7554 499.6696 515.3364 524.9030 593.1406 503.0327 1.21_392.0152n 414.9835 1.21 1949.1458 1699.1397 1664.3140 1828.2696 1709.2620 1579.9935 1.21_398.0053n 399.0113 1.21 5353.1745 4731.8499 4873.7541 4721.1621 5053.6824 4871.4378 1.21_567.0403m/z 567.0403 1.21 815.3378 745.6777 772.9508 762.0784 761.2949 749.9174 1.22_369.9872m/z 369.9872 1.22 452.9981 480.5031 506.7421 502.4731 514.7645 478.2449 1.22_591.0386m/z 591.0386 1.22 4035.0148 3631.9630 3809.5077 3690.4859 3706.6726 3552.9889 1.22_759.0668m/z 759.0668 1.22 2007.3554 1682.6945 1763.7191 1741.3941 1743.4658 1711.1874 1.22_896.6272m/z 896.6272 1.22 254.3948 220.3951 248.2288 263.6035 232.3670 234.3219 1.22_980.1369m/z 980.1369 1.22 324.3382 344.6525 307.7882 321.2321 341.1524 343.1296 1.22_980.6399m/z 980.6399 1.22 186.0261 178.1896 177.6956 192.9186 160.9920 167.1289 1.23_126.0305m/z 126.0305 1.23 1170.2078 1151.5762 1132.9007 1134.3626 1174.5860 1125.0364 C2H8NO3P Ciliatine Ciliatine HMDB11747 HIGH 1.23_141.0413m/z 141.0413 1.23 5111.2123 4855.1922 4983.3678 4935.3081 5069.6949 4929.1426 C4H6N4O3 Allantoin Allantoin 15676 HIGH 1.23_168.0325n 169.0358 1.23 114744.0377 110812.3295 113930.5478 112974.8640 115579.4673 114715.6577 1.23_169.0757m/z 169.0757 1.23 787.5459 788.2193 723.2941 618.0568 599.9240 599.0892 1.23_169.1425m/z 169.1425 1.23 1630.7056 1439.3277 1412.1531 1264.1904 1292.6599 1130.0707 1.23_288.2040m/z 288.2040 1.23 412.6449 387.3178 337.2253 375.7337 357.9067 363.0087 1.23_337.0638m/z 337.0638 1.23 918.8641 841.1637 808.5843 751.0160 803.5817 755.4214 1.23_361.0630m/z 361.0630 1.23 1607.5621 1420.9441 1483.4873 1412.1820 1495.7579 1445.8025 1.23_644.5829m/z 644.5829 1.23 187.3765 170.8026 179.5301 156.1029 179.9702 177.6366 1.23_728.0935m/z 728.0935 1.23 574.2942 530.6658 551.7578 492.3139 528.2896 566.0502 1.23_728.5967m/z 728.5967 1.23 202.6218 200.5556 192.6519 215.4824 167.3523 196.3930 1.23_812.1098m/z 812.1098 1.23 498.9852 476.3980 501.6706 453.2864 516.6847 486.4884 1.23_812.6114m/z 812.6114 1.23 215.7476 241.4549 240.4055 224.4312 221.6068 250.3754 1.23_877.6545m/z 877.6545 1.23 127.0965 114.7645 129.9139 140.1718 120.5209 140.5091 1.23_889.1477m/z 889.1477 1.23 424.7709 383.3971 424.0311 333.5639 373.5142 392.5723 1.23_893.1728n 877.1502 1.23 490.1623 463.3762 460.0818 380.5202 439.7480 466.2121 1.23_896.1248m/z 896.1248 1.23 519.4193 460.1780 529.7864 518.7514 443.5076 479.6477 1.23_908.1244m/z 908.1244 1.23 1399.1645 1311.1336 1336.3828 1305.6890 1298.3034 1350.5407 1.23_908.6259m/z 908.6259 1.23 827.5028 727.1949 774.3633 730.5333 815.7669 792.6099 1.23_96.0203m/z 96.0203 1.23 196.8875 201.4625 193.3118 169.7694 196.2790 200.9370 1.23_961.1652m/z 961.1652 1.23 299.5002 303.4407 297.0425 258.0199 271.5586 317.6091 1.23_98.0353m/z 98.0353 1.23 293.4313 289.7261 294.0045 279.4864 281.8043 288.7929 1.23_992.1385m/z 992.1385 1.23 955.3164 965.1161 969.9476 864.6895 932.0897 900.8317 1.23_992.6402m/z 992.6402 1.23 594.2300 520.0781 543.9525 543.5915 578.7547 510.9785 1.24_193.0980m/z 193.0980 1.24 2433.5898 2519.9084 2594.3033 2588.8690 2765.7756 2583.4523 C10H12N2O2 Proximphan MEDIUM 1.24_476.5527m/z 476.5527 1.24 95.8531 70.6307 79.3314 57.4740 65.8360 73.0859 1.24_560.0400m/z 560.0400 1.24 1024.0658 1004.6393 1056.0203 792.1702 861.6369 919.2526 1.24_560.5692m/z 560.5692 1.24 128.4513 88.7742 95.2021 57.1606 84.6672 80.1750 1.24_607.0111m/z 607.0111 1.24 773.1737 660.0927 695.5534 705.4398 733.5826 649.7315 1.24_644.0806m/z 644.0806 1.24 501.1410 453.9621 437.4527 423.2737 461.6349 462.3656 1.24_656.0803m/z 656.0803 1.24 567.7059 464.9564 489.1828 448.9556 513.5697 525.8778 1.24_656.5804m/z 656.5804 1.24 199.7575 146.0454 152.8598 132.6398 189.1033 176.7949 1.24_740.0941m/z 740.0941 1.24 920.9280 762.0458 801.1801 764.6674 886.7202 859.8445 1.24_740.5962m/z 740.5962 1.24 419.1450 355.7639 328.1841 325.7746 323.9834 328.8208 1.24_824.1101m/z 824.1101 1.24 965.6330 836.2530 839.8281 782.6827 812.6618 879.7192 1.24_824.6118m/z 824.6118 1.24 444.3357 408.2701 456.7241 395.2618 427.1668 381.2659 1.24_836.1058m/z 836.1058 1.24 288.7609 237.4825 299.3993 222.6462 239.8624 289.3511 1.24_920.1217m/z 920.1217 1.24 760.9645 591.9313 598.1438 603.4070 642.7727 654.8602 1.24_920.6247m/z 920.6247 1.24 372.1558 312.2686 318.9253 224.4868 307.0866 327.0930 1.25_144.5097m/z 144.5097 1.25 35.4800 33.5030 42.4647 33.1421 26.2439 32.0090 1.25_575.0605m/z 575.0605 1.25 400.4656 352.1269 366.2353 326.7693 287.9724 338.9149 1.25_615.0375m/z 615.0375 1.25 12064.0091 10813.7991 11031.3743 10055.0889 10404.0916 10599.9082 1.25_783.0597m/z 783.0597 1.25 2395.1083 2018.7639 2145.7496 1959.1880 2046.8695 2074.8766 1.26_129.0186m/z 129.0186 1.26 328.7381 253.4965 262.7616 233.4654 255.4129 232.8642 C5H6O5 Oxoglutaric acid Oxoglutaric acid HMDB00208 MEDIUM 1.26_193.0352m/z 193.0352 1.26 211.2256 195.8009 206.2194 190.2734 215.2691 186.7889 C6H8O7 Citric acid Citric acid HMDB00094 MEDIUM 1.26_212.0087m/z 212.0087 1.26 8775.0689 7908.7059 8144.0286 7410.7052 8001.7441 8164.0704 1.26_212.5104m/z 212.5104 1.26 1132.6357 962.2118 1043.6396 953.6471 1012.9193 1036.3710 1.27_170.9950m/z 170.9950 1.27 209.5287 187.5798 248.8721 239.9677 282.9912 196.0865 1.27_182.4989m/z 182.4989 1.27 72.0630 61.9314 57.7024 62.1817 84.6671 78.9392 1.27_326.9964m/z 326.9964 1.27 4877.3491 4407.6271 4555.6929 4512.3392 4790.3410 4566.2753 1.27_327.4981m/z 327.4981 1.27 867.8060 825.5900 805.8905 765.1728 843.4348 802.8380 1.27_449.9687m/z 449.9687 1.27 342.8912 293.4653 329.3821 318.6986 356.3941 275.4791 1.28_230.9824m/z 230.9824 1.28 6539.1201 5797.3849 6221.5342 5726.7800 6045.6342 6100.0487 1.28_265.0159n 287.9799 1.28 3174.1047 2883.1524 3006.4400 2682.0270 2866.6932 2740.2862 1.28_499.9995m/z 499.9995 1.28 161.3103 140.6764 180.5925 105.4463 141.3991 155.7989 1.29_168.1026m/z 168.1026 1.29 958.3085 856.5336 831.3016 792.8009 815.2227 836.2370 C9H10O2 Ethyl benzoate 32807 HIGH 1.30_123.0559m/z 123.0559 1.30 240.0454 251.1979 263.6384 252.6456 248.7908 272.9056 C6H6N2O Niacinamide Niacinamide 17154 MEDIUM 1.30_129.1027m/z 129.1027 1.30 233.6957 256.5795 225.4892 234.3874 223.3076 279.8543 C6H14N2O2 L-Lysine Lysine 18019 MEDIUM 1.30_247.8181m/z 247.8181 1.30 391.0026 439.4012 405.4768 460.1223 432.7131 450.7952 1.30_265.1516m/z 265.1516 1.30 226.4078 243.8975 223.6805 242.3273 222.9734 249.7493 1.30_265.4842m/z 265.4842 1.30 102.9021 51.9683 64.4169 65.6337 64.3186 75.4206 1.30_271.1596m/z 271.1596 1.30 675.2768 659.7948 678.6243 681.5624 712.2411 710.7225 1.30_277.4974m/z 277.4974 1.30 1962.6952 1804.4558 1867.0601 1954.0027 1901.9542 1962.8151 1.30_289.4792m/z 289.4792 1.30 159.9324 131.1542 150.8617 152.7776 153.7378 150.9334 1.30_312.1791m/z 312.1791 1.30 547.2470 518.9406 562.1272 521.6712 546.9156 558.1518 C21H28O3 Pyrethrin I Pyrethrin I 27815 MEDIUM 1.30_319.1941m/z 319.1941 1.30 277.3509 266.5716 327.0778 285.7755 323.3845 355.4918 1.30_319.6950m/z 319.6950 1.30 61.7637 56.5065 70.6529 74.5876 57.8328 74.5486 1.30_328.2084m/z 328.2084 1.30 522.6337 498.2451 532.9047 504.7875 511.4413 553.8513 1.30_337.0188m/z 337.0188 1.30 597.2524 522.1248 530.4663 447.2152 464.3094 506.8678 1.30_362.2183m/z 362.2183 1.30 260.8920 269.9139 269.8649 295.3240 299.0339 309.9388 1.30_371.7249m/z 371.7249 1.30 1517.7059 1437.5359 1451.0520 1464.7678 1496.0770 1528.8354 1.30_499.4980m/z 499.4980 1.30 399.3620 381.2958 375.4267 292.8603 355.9819 406.0064 1.31_175.1187m/z 175.1187 1.31 257.8255 254.6032 239.2785 210.9748 238.5359 249.7617 C6H14N4O2 L-Arginine Arginine 16467 MEDIUM 1.31_263.6597m/z 263.6597 1.31 132.0021 131.5522 140.6689 137.1711 163.4516 158.3269 1.31_270.8253m/z 270.8253 1.31 1537.1952 1429.8633 1543.4557 1552.8457 1528.5849 1566.6541 1.31_271.4931m/z 271.4931 1.31 190.4973 170.3935 186.3635 153.5453 184.3187 183.5771 1.31_276.1507n 277.1632 1.31 7311.5019 6843.1700 7370.1439 7307.7980 7485.5988 7718.0100 1.31_276.8288m/z 276.8288 1.31 17260.9379 16060.1207 17157.5423 16820.6511 17499.8436 17842.3332 1.31_328.9612m/z 328.9612 1.31 548.0553 473.0558 511.3465 444.5134 511.5059 454.0022 1.31_344.7105n 327.7072 1.31 1618.0589 1630.8654 1692.1570 1707.1373 1759.3983 1789.0380 1.31_376.2151m/z 376.2151 1.31 76.5266 106.9813 83.4544 93.8648 116.6080 118.5075 1.31_388.2266n 371.2233 1.31 4251.8552 4117.8515 4323.2347 4197.9023 4558.9434 4482.3861 1.31_414.7395m/z 414.7395 1.31 12757.8256 11058.9677 10931.5698 10502.1428 11422.4373 11654.9770 1.31_415.2410m/z 415.2410 1.31 5377.0722 4579.2308 4426.9904 4272.4788 4690.9506 4767.5567 1.31_425.7301m/z 425.7301 1.31 179.0303 203.2813 152.7782 161.7891 205.6166 174.7634 1.31_433.7132m/z 433.7132 1.31 299.4362 328.0714 288.0816 289.8675 325.3826 307.9086 1.31_526.3110m/z 526.3110 1.31 1987.6641 1871.8414 1918.8467 1957.5512 1976.6744 2048.9032 1.31_587.2411m/z 587.2411 1.31 801.8531 679.3121 630.2270 525.1734 608.9058 772.7017 1.31_587.7429m/z 587.7429 1.31 430.6328 292.1940 288.8621 279.5285 291.7019 336.9698 1.31_828.4713m/z 828.4713 1.31 446.7255 486.8905 445.4730 348.8847 327.8686 485.2147 1.32_147.0762m/z 147.0762 1.32 181.7737 193.5898 168.5524 188.7859 197.2490 208.9063 C5H7NO3 Pyrrolidonecarboxylic acid Pyroglutamic acid HMDB00805 MEDIUM 1.32_264.8215m/z 264.8215 1.32 146.0647 135.1816 153.6417 142.0709 124.2467 171.2231 1.32_484.2419m/z 484.2419 1.32 381.0063 358.5232 384.0880 399.9416 379.3763 357.6908 1.32_552.0522m/z 552.0522 1.32 712.8245 687.4621 645.2509 636.3447 673.3718 740.8293 1.34_130.0507m/z 130.0507 1.34 1692.1039 1746.9965 1815.8242 1775.5761 1776.2239 1905.1741 C5H7NO3 Pyrrolidonecarboxylic acid Pyroglutamic acid HMDB00805 MEDIUM 1.34_137.0466m/z 137.0466 1.34 3392.0070 3288.4364 3235.6651 3402.8115 3339.5396 3543.1628 C5H4N4O Hypoxanthine Hypoxanthine 17368 HIGH 1.34_297.0380m/z 297.0380 1.34 250.1327 247.5853 227.6021 252.9256 280.1595 240.8992 1.34_360.0230m/z 360.0230 1.34 1972.4785 1831.2358 1815.2852 1812.1456 1817.2211 1823.8861 1.34_375.9960m/z 375.9960 1.34 991.6208 935.5477 858.7730 827.6486 911.5307 861.7347 1.34_457.9987m/z 457.9987 1.34 184.4564 189.6921 150.2564 133.8270 152.3474 163.1942 1.34_505.0895n 523.0722 1.34 1351.5365 1328.7425 1433.8822 1183.3243 1171.3926 1374.6819 1.34_84.0457m/z 84.0457 1.34 685.8771 717.4958 759.5325 770.1735 758.8045 807.3861 1.35_261.0141m/z 261.0141 1.35 268.6264 228.2491 255.1533 211.5037 222.1708 224.3921 1.35_460.9583m/z 460.9583 1.35 517.4902 436.2659 411.2867 445.4900 444.3046 427.1255 1.36_281.0141m/z 281.0141 1.36 500.4498 493.1347 586.2906 472.7383 467.7874 520.4515 1.38_124.9930m/z 124.9930 1.38 586.1172 553.9630 578.3339 530.0765 570.7777 558.6645 1.39_302.6472m/z 302.6472 1.39 490.5673 445.6518 506.2699 486.3673 503.7386 502.8324 1.39_303.1483m/z 303.1483 1.39 147.5493 144.9677 127.8612 146.2851 161.8607 113.5973 1.41_150.0781m/z 150.0781 1.41 466.6062 481.5206 523.0736 515.3402 525.4444 460.6342 C6H7N5 7-Methyladenine HMDB11614 MEDIUM 1.41_282.1212m/z 282.1212 1.41 770.9985 729.5158 800.9193 754.4450 784.3530 789.2533 1.44_139.9958m/z 139.9958 1.44 607.6592 575.9056 557.8623 519.3986 582.6379 534.8111 1.44_167.9977m/z 167.9977 1.44 431.2872 407.3046 392.4932 390.8717 397.0155 418.8882 1.44_229.9757m/z 229.9757 1.44 326.0231 253.9833 233.8091 247.7026 260.3077 250.0421 1.44_269.1619m/z 269.1619 1.44 1199.5499 1111.9661 1151.1665 1150.3220 1170.6620 1182.0541 C15H22N2O Mepivacaine 6759 MEDIUM 1.45_166.0732m/z 166.0732 1.45 1000.2496 1071.5282 1125.2179 1037.6057 1068.6850 1062.5976 C6H7N5O 7-Methylguanine 7-Methylguanine HMDB00897 MEDIUM 1.45_274.0540n 258.0314 1.45 1385.2213 1326.6904 1417.4680 1175.3652 1157.0441 1238.8742 1.45_293.6734m/z 293.6734 1.45 56.9133 63.4561 69.9075 67.1135 52.2502 56.9158 1.46_259.6412m/z 259.6412 1.46 347.8677 332.9361 329.4832 383.0318 336.2848 318.2646 1.46_260.1419m/z 260.1419 1.46 96.1777 105.8290 84.7510 92.0649 109.7288 103.2951 1.55_385.9734m/z 385.9734 1.55 1654.2415 1559.3824 1677.7063 1384.0327 1514.4217 1624.1741 1.56_166.0266m/z 166.0266 1.56 1358.5504 1227.0950 1433.5225 1075.3335 1096.9815 1289.6035 1.56_229.1558m/z 229.1558 1.56 10336.8942 10326.1317 10399.9945 10011.7763 10332.3666 10203.7371 C14H22O 4-Tert-octylphenol MEDIUM 1.57_153.0418m/z 153.0418 1.57 898.2367 907.7208 918.6576 913.5282 903.6661 918.3703 C5H4N4O2 Oxypurinol Oxypurinol HMDB00786 MEDIUM 1.57_202.1811m/z 202.1811 1.57 1313.1318 1401.0637 1334.4240 1385.0083 1423.1759 1485.9504 C11H20O2 Undecylenic acid 35045 MEDIUM 1.57_294.1828m/z 294.1828 1.57 340.8651 309.0791 302.3116 306.0879 321.2089 317.1119 C18H25NO Dextromethorphan Dextromethorphan 4470 MEDIUM 1.59_156.9817m/z 156.9817 1.59 415.1405 301.2763 305.8924 296.0576 314.3008 330.9364 1.62_226.1247m/z 226.1247 1.62 216.8063 224.1276 232.2990 207.5402 228.2605 258.1425 1.64_109.0657m/z 109.0657 1.64 184.4651 188.7743 197.3302 180.6109 179.2455 193.0229 C7H8O p-Cresol P-Cresol 17847 HIGH 1.64_121.0649m/z 121.0649 1.64 467.2381 479.9010 516.2532 481.9184 489.8003 452.9980 C8H8O Phenylacetaldehyde Phenylacetaldehyde 16424 HIGH 1.64_123.0449m/z 123.0449 1.64 7864.0180 7849.8720 8112.1547 7516.8623 7820.0622 7888.7662 C7H6O2 2-Hydroxybenzaldehyde 2-Hydroxybenzaldehyde 16008 MEDIUM 1.64_135.0727n 136.0765 1.64 26421.9745 25828.3608 27032.3774 25092.8345 26347.2463 26269.5476 1.64_164.0483n 165.0556 1.64 38494.6747 37186.0841 38202.7772 35609.2777 37784.8219 37485.9433 1.64_204.0644m/z 204.0644 1.64 503.8407 458.6534 445.8948 455.6586 508.7834 450.9946 C9H11NO3 o-Tyrosine HMDB06050 HIGH 1.64_266.0354m/z 266.0354 1.64 597.8971 578.2781 577.3261 588.5451 636.1656 574.1371 1.64_401.1042m/z 401.1042 1.64 449.4782 434.3668 435.8103 488.9555 483.7923 456.2715 1.64_512.1220m/z 512.1220 1.64 250.4135 272.9764 235.7401 193.9630 226.9343 248.8015 1.64_527.0860m/z 527.0860 1.64 1224.4297 1293.8805 1358.9119 1073.2623 1027.7599 1317.1642 1.64_582.1779m/z 582.1779 1.64 158.7562 196.6653 173.4286 201.8767 189.4534 155.2728 1.64_708.1596m/z 708.1596 1.64 466.1653 530.3817 518.6765 410.6239 424.9613 517.5231 1.64_91.0554m/z 91.0554 1.64 1940.7217 1877.8392 1983.9970 1853.8401 1985.8254 1967.5871 1.65_94.0435n 95.0503 1.65 1568.1942 1555.9964 1636.0494 1503.7242 1565.8396 1577.3065 1.66_221.0966m/z 221.0966 1.66 757.3640 729.3075 812.3252 693.7865 727.8694 759.4461 1.67_104.0539m/z 104.0539 1.67 371.4426 315.2074 297.5510 250.1812 282.2607 297.9949 1.70_215.0173m/z 215.0173 1.70 727.9870 712.0825 761.0783 660.6029 699.0620 760.0039 C6H8O7 Citric acid Citric acid HMDB00094 MEDIUM 1.70_231.1459m/z 231.1459 1.70 218.7704 224.9371 231.8913 200.7443 200.5297 224.9949 1.71_166.0271m/z 166.0271 1.71 634.6226 559.4674 642.0847 467.6839 437.5002 570.8943 1.74_175.0317m/z 175.0317 1.74 842.7628 798.1845 887.9260 711.6582 752.2829 842.3873 1.75_236.1156m/z 236.1156 1.75 105.5390 112.9478 149.9246 93.3883 108.0537 122.9763 1.76_132.0668m/z 132.0668 1.76 180.7203 152.3936 143.4076 128.4248 59.1421 164.9088 C6H7N5 7-Methyladenine HMDB11614 MEDIUM 1.76_293.6748m/z 293.6748 1.76 82.2194 113.1653 100.0696 89.2415 119.4841 93.4608 1.76_337.1905m/z 337.1905 1.76 356.3045 317.2816 352.4981 305.3368 346.9619 363.8161 1.77_336.6894m/z 336.6894 1.77 986.4805 1115.6587 1070.8340 1009.1674 1094.6692 1057.3559 1.78_113.0352m/z 113.0352 1.78 189.5496 182.6131 167.6978 157.4364 168.0191 179.1767 C9H7N Quinoline Quinoline 17362 MEDIUM 1.78_267.0602m/z 267.0602 1.78 1515.6917 1482.1969 1528.1238 1609.9342 1636.2719 1581.9576 1.78_477.1063m/z 477.1063 1.78 283.7924 319.0556 338.2830 280.2563 287.4157 347.8160 1.79_132.1028m/z 132.1028 1.79 1138.2979 1080.0359 1095.9894 1021.3291 1030.0382 1020.5506 C6H13NO2 L-Isoleucine Isoleucine HMDB00172 MEDIUM 1.79_216.0474m/z 216.0474 1.79 649.3301 645.2243 675.9681 608.8866 679.5987 618.3278 1.79_329.0309m/z 329.0309 1.79 728.5104 707.6389 694.4381 694.2481 685.1979 645.5409 1.79_432.2397m/z 432.2397 1.79 208.3187 259.6836 204.0318 249.0761 256.7113 227.0280 1.79_86.0977m/z 86.0977 1.79 1569.3489 1519.3413 1602.1387 1487.3212 1488.0152 1478.1745 1.80_329.6581m/z 329.6581 1.80 526.0019 493.3579 546.2561 473.2977 522.6054 511.5784 1.82_330.1587m/z 330.1587 1.82 180.3302 179.3304 111.5094 158.0768 167.2359 164.5808 1.82_348.6312m/z 348.6312 1.82 214.0997 224.9878 227.5447 187.0347 222.4682 238.2695 1.83_262.0365m/z 262.0365 1.83 675.5610 643.1744 578.2804 587.9557 627.8799 602.8961 1.84_150.0861m/z 150.0861 1.84 513.3450 496.6096 468.4042 413.8147 415.3729 524.2778 C4H8N2O3 L-Asparagine Asparagine 17196 MEDIUM 1.84_241.1144m/z 241.1144 1.84 789.3215 711.4090 718.4548 639.9254 628.4781 747.0116 1.86_141.9951n 143.0023 1.86 1166.5661 1049.9226 1103.6510 1049.5066 1068.7110 1068.1165 1.86_337.0216m/z 337.0216 1.86 320.9150 355.0504 399.3803 323.8086 293.0404 346.1499 1.86_592.0543m/z 592.0543 1.86 448.3331 394.9912 428.2138 320.0600 313.4350 381.7782 1.87_161.0135m/z 161.0135 1.87 524.5091 411.6232 392.8252 389.4974 399.1791 377.2096 1.87_189.0082m/z 189.0082 1.87 965.0264 764.1599 840.6639 747.7525 821.4612 815.5393 1.87_203.0244m/z 203.0244 1.87 1286.0958 1147.9470 1179.6969 1089.8687 1120.5286 1143.3605 1.87_217.9892n 218.9965 1.87 889.9517 656.2243 667.7601 595.4893 658.7990 650.0053 1.87_247.0509m/z 247.0509 1.87 1237.0698 1102.4082 1147.6113 1119.6674 1126.8386 1158.0329 1.87_335.0307m/z 335.0307 1.87 442.8417 354.0895 315.6597 278.5723 312.5645 361.9307 1.87_351.0968m/z 351.0968 1.87 444.4315 388.2316 331.0145 327.2364 353.2308 347.8741 1.89_233.1506m/z 233.1506 1.89 514.1307 560.3479 578.4203 510.9762 556.8393 601.2021 C13H22O2 Isobornyl propionate MEDIUM 1.90_326.1253m/z 326.1253 1.90 674.1052 647.7983 600.0860 452.9627 337.0882 138.9369 C13H16N4O3S Mecarbinzid 82083 MEDIUM 1.92_477.1065m/z 477.1065 1.92 558.1400 616.6417 634.4886 519.7224 485.8614 568.4783 1.93_131.0954n 132.1027 1.93 2603.8652 2374.5338 2347.0327 2227.7995 2241.7340 2276.3641 C6H13NO2 D-Leucine HMDB13773 HIGH 1.93_216.0542m/z 216.0542 1.93 998.6916 941.4419 988.9442 883.4516 941.6000 958.7420 1.93_432.2401m/z 432.2401 1.93 1075.2867 1062.8578 1101.4563 1168.2252 1151.9894 1133.0866 1.93_86.0977m/z 86.0977 1.93 3295.8827 3022.6549 3048.0429 2875.5585 2913.9152 2953.3337 1.94_301.1446m/z 301.1446 1.94 483.0697 494.6211 467.5733 461.9603 495.4983 463.3060 1.98_231.0853m/z 231.0853 1.98 3697.9404 4114.0055 4135.1032 4322.8254 4515.1909 4240.7546 C10H17NO6 Linamarin Linamarin 16441 MEDIUM 10.00_314.2331m/z 314.2331 10.00 7070.7006 7457.9702 7618.2519 7409.3820 7032.1356 6742.5592 10.00_541.7875m/z 541.7875 10.00 127.6296 138.7809 170.6109 181.6143 167.9545 240.4732 10.01_541.2866m/z 541.2866 10.01 238.7188 283.0176 261.6306 283.5672 275.6709 294.6048 10.02_246.2433m/z 246.2433 10.02 945.4295 904.7194 971.2870 918.4744 976.1906 948.9513 C14H28O2 Myristic acid Myristic acid 28875 MEDIUM 10.04_567.2798m/z 567.2798 10.04 569.6276 587.2031 524.8801 540.6495 580.0169 762.0163 10.04_567.7964m/z 567.7964 10.04 201.6216 155.1858 193.4426 135.9843 157.6886 241.7832 10.04_575.7794m/z 575.7794 10.04 137.4726 159.2473 202.8444 241.6452 198.5854 196.3122 10.05_674.5875m/z 674.5875 10.05 278.5415 228.5432 263.0392 232.5156 186.9353 227.0029 10.05_674.8367m/z 674.8367 10.05 227.5972 153.1898 149.6238 194.3187 187.5508 139.0746 10.05_79.0002m/z 79.0002 10.05 127.7305 120.2781 133.5775 135.4176 126.0738 135.3555 10.06_496.2084m/z 496.2084 10.06 1002.4843 1050.2849 929.6686 1089.9437 1082.4417 1129.6516 10.06_674.3361m/z 674.3361 10.06 202.9306 218.8745 220.3241 194.9349 175.4353 182.5531 10.06_811.6764m/z 811.6764 10.06 176.5639 163.4076 299.8897 245.8641 177.7660 198.8448 10.06_812.0144m/z 812.0144 10.06 151.8456 216.8595 141.4222 227.9624 180.6716 133.0584 10.06_812.3494m/z 812.3494 10.06 102.9678 162.1113 125.3354 108.7201 125.7432 106.3790 10.11_225.1120m/z 225.1120 10.11 1493.7415 1343.3218 1473.0639 1403.7309 1545.7244 1463.5461 C13H12N4 "1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine" 76290 MEDIUM 10.11_565.2615m/z 565.2615 10.11 1513.4372 1570.3573 1571.7261 1533.1752 1523.2513 1461.5888 10.11_627.2324m/z 627.2324 10.11 726.9086 702.0396 679.4047 743.7433 722.4418 643.2386 10.12_790.9366m/z 790.9366 10.12 189.7256 215.3461 205.0041 278.1417 159.7622 260.6607 10.13_247.1596n 265.1366 10.13 816.8221 774.5578 881.4956 756.2363 805.1559 713.0394 10.13_363.2171m/z 363.2171 10.13 6781.1555 6783.3113 6954.3313 6861.3328 6844.1944 6733.4636 C21H30O5 18-Hydroxycorticosterone HMDB00319 MEDIUM 10.13_402.2021n 385.1988 10.13 9920.8459 9639.2605 10429.3908 10049.9551 10316.2675 10039.2723 C23H30O6 Citreoviridin A HIGH 10.13_464.1711n 465.1796 10.13 1061.0574 1045.8423 1079.7189 1008.3162 1061.7761 1085.8741 10.13_599.2480m/z 599.2480 10.13 514.5421 498.8018 497.1206 466.6102 474.3905 497.3630 10.13_695.7691m/z 695.7691 10.13 838.9966 2411.9377 1047.8017 2491.5109 1887.8107 2781.1693 10.13_790.6848m/z 790.6848 10.13 173.4700 113.1315 109.5673 44.1763 140.1672 90.4925 10.13_791.1871m/z 791.1871 10.13 132.8617 159.4141 215.3706 227.8789 144.6316 181.1784 10.15_255.1523m/z 255.1523 10.15 2264.6892 2254.1322 2366.3585 2224.9548 2443.5284 2806.7090 10.15_633.2559m/z 633.2559 10.15 4168.0725 4381.2388 5164.9572 5483.4619 5199.8738 5125.9161 10.16_191.1045m/z 191.1045 10.16 112.4172 136.9401 142.2625 110.2712 136.2996 118.6327 10.16_647.6434n 670.6697 10.16 575.0258 573.3592 533.1206 536.8379 465.7468 603.5190 10.16_682.0162n 665.0129 10.16 263.2905 256.6963 256.1490 248.1485 240.6753 252.3845 10.16_986.5254m/z 986.5254 10.16 432.9366 427.2161 490.6613 558.4258 563.2230 618.6660 10.17_233.1121m/z 233.1121 10.17 497.5637 493.8539 494.4841 446.2838 472.0041 473.4657 10.17_647.3140n 670.3340 10.17 587.6512 498.5607 498.2777 483.9660 472.0749 607.4477 10.17_657.6867m/z 657.6867 10.17 2433.8271 2367.5340 2260.0813 2268.4633 2151.0643 2406.9141 10.17_658.0213m/z 658.0213 10.17 2017.9131 1883.5745 1913.3613 2052.0446 1865.8293 2063.7423 10.17_658.3551m/z 658.3551 10.17 1152.9516 1089.2521 1140.2749 1106.3730 1097.8935 1196.3877 10.17_671.0037m/z 671.0037 10.17 139.5880 142.4517 110.7148 116.0214 146.6989 176.7157 10.17_694.9677m/z 694.9677 10.17 1709.0647 3833.8144 1657.3845 4519.4384 3382.9095 5202.7628 10.17_695.5694m/z 695.5694 10.17 2746.1739 4541.2237 2105.0332 4505.6415 3512.4952 5267.7118 10.17_986.0264m/z 986.0264 10.17 541.1337 527.4520 536.8468 509.7292 459.5211 543.0546 10.19_615.3309m/z 615.3309 10.19 143.8057 223.8861 150.5964 137.8635 185.2090 179.8712 10.19_695.3687m/z 695.3687 10.19 4030.1768 6406.5721 3104.0877 6528.5124 4880.8315 7215.1277 10.20_869.2211m/z 869.2211 10.20 618.0449 1669.3581 661.4981 1792.3625 1628.0006 2065.2296 10.21_511.1897n 512.2029 10.21 1493.7364 1440.8938 1482.3106 1435.0020 1425.1726 1528.8949 10.21_869.4408m/z 869.4408 10.21 299.3676 931.7632 424.4754 894.3400 887.4473 1314.0647 10.22_383.1746m/z 383.1746 10.22 775.9532 760.0940 845.7429 786.4858 804.0064 746.0971 10.22_871.9912n 890.0250 10.22 2842.8057 3269.9007 2936.5288 3395.8615 3744.2184 3894.2035 10.22_890.2259m/z 890.2259 10.22 2914.8410 3408.8631 2975.5494 3140.5197 3577.1901 4166.8900 10.22_890.4262m/z 890.4262 10.22 1920.4451 2538.2393 2202.0460 2810.6886 2756.3147 3142.5422 10.22_890.6265m/z 890.6265 10.22 1248.2104 1505.9682 1198.8740 1417.1645 1623.9500 1657.3537 10.22_906.8272n 889.8240 10.22 1493.7438 1679.2525 1663.9253 1759.4735 1956.2258 2083.7889 10.23_291.1932m/z 291.1932 10.23 1070.6907 1008.0488 993.7299 904.3576 949.3328 1017.7205 10.23_314.2323m/z 314.2323 10.23 774.0480 912.6571 1023.5298 937.5656 870.7733 692.2395 10.25_245.1074m/z 245.1074 10.25 784.0473 745.9417 795.4728 758.1722 772.6995 778.3349 10.25_515.7417m/z 515.7417 10.25 291.9478 287.3698 307.7094 183.7953 213.1067 223.6598 10.25_526.7307m/z 526.7307 10.25 1056.6591 1073.0356 1076.4450 1061.9368 1000.4762 1015.3398 10.25_534.7132m/z 534.7132 10.25 584.6712 721.6814 629.0989 582.4049 699.6548 638.4995 10.25_595.6398m/z 595.6398 10.25 555.6957 555.3402 508.0908 515.0410 609.6871 573.9188 10.25_601.2943m/z 601.2943 10.25 715.1109 732.2176 695.6040 675.4357 754.7820 751.6079 10.25_601.6306m/z 601.6306 10.25 225.5644 237.7493 256.3287 230.5756 260.7363 248.3980 10.25_697.3908m/z 697.3908 10.25 397.4850 388.3381 324.1004 387.5369 385.9584 428.2494 10.26_370.1329m/z 370.1329 10.26 406.7350 401.7550 348.8527 366.0768 363.7442 344.3055 10.26_476.1929m/z 476.1929 10.26 308.1579 344.4125 314.3079 311.0060 359.3052 296.2994 10.26_483.1269m/z 483.1269 10.26 2103.7568 2140.9545 2219.1679 2100.3665 2234.5456 2029.7606 10.26_577.9391n 600.9618 10.26 812.5073 991.3500 911.0689 878.6859 1037.7192 983.7333 10.26_881.9660m/z 881.9660 10.26 2233.7003 2339.8089 2267.5829 2248.9720 2232.1012 2237.9678 10.26_882.4672m/z 882.4672 10.26 1519.8250 1771.8785 1671.8831 1627.6899 1702.9868 1642.2238 10.27_250.0857m/z 250.0857 10.27 211.2360 196.2573 208.6170 221.1787 191.2955 223.4208 10.27_252.1573m/z 252.1573 10.27 1078.0741 1077.0644 1117.3919 1093.5153 1148.0671 1144.9149 10.28_232.0759m/z 232.0759 10.28 790.5418 738.3182 761.4490 684.6335 709.5246 769.3422 10.28_741.7617m/z 741.7617 10.28 109.0473 247.0306 96.9917 193.1832 277.6800 353.7426 10.28_742.1647m/z 742.1647 10.28 475.9786 457.9002 428.4970 424.4188 485.5451 499.2818 10.28_927.2034m/z 927.2034 10.28 671.5617 874.3045 914.2430 691.9861 883.1291 838.8166 10.28_927.4550m/z 927.4550 10.28 768.6701 866.1019 887.6212 877.1859 821.5169 813.0786 10.28_927.7052m/z 927.7052 10.28 465.6409 520.6071 471.6428 599.2573 535.0610 499.5351 10.28_943.9578n 926.9545 10.28 581.7975 535.7714 522.6956 599.6184 633.3067 653.4969 10.29_256.0978m/z 256.0978 10.29 240.1715 249.3416 187.8769 208.2639 214.8397 234.8522 10.29_271.1016m/z 271.1016 10.29 585.5732 468.5086 579.1843 592.2684 535.8854 567.7616 10.30_496.2081m/z 496.2081 10.30 433.1277 427.8489 373.1565 416.7352 422.0932 459.4780 10.32_241.1392m/z 241.1392 10.32 1339.7256 1248.4807 1282.2976 1283.4418 1240.6712 1242.7084 10.32_358.2593m/z 358.2593 10.32 1090.7221 1196.7484 1196.6647 1265.7775 1197.0516 1144.0736 10.33_346.2100n 347.2206 10.33 946.6669 1000.7328 920.6412 887.8615 953.0824 809.9484 10.33_561.7950m/z 561.7950 10.33 369.2261 363.2884 435.5483 394.8778 289.5265 397.8178 10.33_572.7846m/z 572.7846 10.33 842.7715 832.9097 733.6373 816.3472 731.1250 750.8674 10.33_573.2865m/z 573.2865 10.33 365.0435 390.2435 438.1965 421.9452 407.8445 418.0484 10.33_579.3004n 563.2504 10.33 1171.2186 1209.2290 1159.4838 1205.2774 1142.8571 1232.1291 10.33_580.7673m/z 580.7673 10.33 294.0961 298.3449 220.0881 273.9274 270.4398 274.3144 10.34_171.0809m/z 171.0809 10.34 1468.2707 1422.1367 1508.7545 1461.5966 1511.9949 1445.6798 C12H10O Methyl beta-naphthyl ketone 52364 HIGH 10.34_262.2378m/z 262.2378 10.34 167.6722 139.8904 166.7622 127.3106 133.0866 154.0514 10.34_625.2178m/z 625.2178 10.34 369.6666 319.0523 399.9243 353.4804 408.4693 321.7232 10.34_633.2549m/z 633.2549 10.34 319.1530 346.1404 360.2086 377.5682 382.1379 347.2361 10.35_207.1301m/z 207.1301 10.35 303.6303 264.8295 299.8371 267.7056 245.4938 269.3749 10.35_301.0428m/z 301.0428 10.35 1728.9830 1644.1831 1667.3814 1618.1796 1620.5396 1646.2461 10.37_435.2541m/z 435.2541 10.37 559.1396 503.7748 563.2567 528.0531 556.3220 507.5221 10.37_756.7326m/z 756.7326 10.37 236.7452 689.5220 818.7046 794.0841 814.9589 871.1684 10.38_151.0748m/z 151.0748 10.38 451.5553 443.0019 478.9306 407.2095 388.0254 379.5089 C10H18O 4-Ethylbenzoic acid 4-Ethylbenzoic acid HMDB02097 MEDIUM 10.38_264.1352m/z 264.1352 10.38 161.0247 163.3085 131.5683 150.7386 140.8200 133.6115 10.38_287.1250m/z 287.1250 10.38 941.7351 925.7672 790.1499 828.6313 806.3626 686.3623 10.38_434.7718m/z 434.7718 10.38 1150.1885 1227.8143 1105.3528 1124.8993 1238.0912 1028.8371 10.38_757.0655m/z 757.0655 10.38 198.6072 665.9710 730.8285 700.0010 860.1069 1025.9527 10.39_247.1292m/z 247.1292 10.39 1539.1050 1489.7090 1692.1018 1469.4420 1535.1421 1429.0268 10.39_717.6141m/z 717.6141 10.39 1027.6763 994.0163 1038.6426 932.0134 1046.7928 1065.5772 10.39_739.3769n 757.3966 10.39 89.9361 261.2412 205.3731 224.6350 206.1791 351.8611 10.39_757.2331m/z 757.2331 10.39 27.9496 391.8853 391.0939 304.2660 414.6508 508.3956 10.39_908.0787m/z 908.0787 10.39 155.0793 623.4702 609.7393 621.5140 579.0088 631.5455 10.39_955.8153m/z 955.8153 10.39 1134.4890 1059.9425 1171.1499 1102.6353 1140.6893 1054.8783 10.39_956.1494m/z 956.1494 10.39 792.1579 886.7294 852.1869 774.8767 762.6483 769.8212 10.39_972.4850n 955.4817 10.39 1066.0909 1087.7619 1179.6463 1039.2532 1088.6611 989.7853 10.40_373.2341m/z 373.2341 10.40 378.6146 364.2022 368.8932 368.1230 386.5619 365.7311 10.40_712.3585m/z 712.3585 10.40 270.1430 378.9924 278.3891 330.5892 268.8799 374.0530 10.40_712.6101m/z 712.6101 10.40 313.9870 327.6399 243.0645 296.8375 270.0064 364.3029 10.40_712.8599m/z 712.8599 10.40 204.9023 218.6626 236.3614 187.7216 196.6250 221.2708 10.40_713.1129m/z 713.1129 10.40 106.2372 121.3399 145.8117 67.5984 99.6930 172.3412 10.40_717.1128m/z 717.1128 10.40 2411.9837 2309.4023 2430.0712 2210.6991 2306.8430 2422.5553 10.40_717.3635m/z 717.3635 10.40 1827.3986 1812.5107 1839.9076 1751.2917 1770.3647 1843.7706 10.40_726.5997m/z 726.5997 10.40 237.4624 248.4986 254.9473 232.2894 306.4868 291.1336 10.40_733.8656n 716.8623 10.40 2196.7000 2662.1517 2943.2700 3046.8489 2928.0932 2910.0699 10.40_807.4304m/z 807.4304 10.40 282.1344 280.3667 266.2603 313.3659 238.4281 258.1997 10.41_291.1890m/z 291.1890 10.41 411.4604 404.4293 427.7033 404.1455 405.4930 379.4341 10.41_383.1754m/z 383.1754 10.41 363.8516 378.4118 370.6415 382.3833 350.8547 406.3856 10.41_664.1477m/z 664.1477 10.41 1607.4659 2348.5129 1583.8811 2512.9207 2302.1629 2665.7165 10.42_197.0770m/z 197.0770 10.42 640.7313 640.1979 687.0591 602.8099 688.6425 668.1561 10.42_537.5876n 555.6214 10.42 1524.2303 1557.4165 1529.5700 1641.7000 1719.3126 1615.8322 10.42_551.2120m/z 551.2120 10.42 1205.9814 1299.8362 1219.7396 1214.5741 1253.9624 1163.9462 10.42_555.2862m/z 555.2862 10.42 1471.3238 1382.7777 1361.9578 1541.5983 1500.2892 1454.9428 10.42_561.2758m/z 561.2758 10.42 367.0379 381.0159 315.0134 315.8708 364.6374 433.4514 10.42_567.1765m/z 567.1765 10.42 591.0461 549.0471 537.9283 535.8695 495.4903 506.0075 10.42_663.7472m/z 663.7472 10.42 1236.1323 1709.9846 1078.4818 1982.9059 1572.3791 2027.3377 10.42_664.5495m/z 664.5495 10.42 465.8502 800.8075 476.9434 917.7464 805.4671 895.7135 10.42_820.4294n 821.4367 10.42 5495.7355 5517.9084 5434.8873 5775.2920 5777.8428 5860.9536 10.42_821.9382m/z 821.9382 10.42 3838.5736 3803.8784 3673.7158 3894.2487 3765.4365 3813.8932 10.42_829.6834m/z 829.6834 10.42 6484.7370 8853.6077 5879.5096 9602.2712 7481.2699 9567.5887 10.42_829.9344m/z 829.9344 10.42 4804.9291 6001.3355 4392.4344 7101.1955 5737.2182 7181.3901 10.42_832.9270m/z 832.9270 10.42 415.5052 443.1306 397.5900 467.8364 493.5604 505.7032 10.43_370.1748m/z 370.1748 10.43 831.8608 819.5368 822.5645 818.6017 842.7476 786.5128 10.43_537.9192n 555.9530 10.43 1145.8551 1151.9019 1138.7692 1188.2936 1257.9208 1208.2556 10.43_548.2916m/z 548.2916 10.43 236.0686 219.0647 248.6520 249.9254 239.3235 229.0108 10.43_663.9476m/z 663.9476 10.43 1959.1358 2373.4847 1531.6764 2652.0905 2057.9923 2600.2011 10.43_725.3585m/z 725.3585 10.43 376.2694 455.8204 304.4226 324.2738 401.4005 412.5082 10.43_739.6743m/z 739.6743 10.43 3494.2306 6501.9165 4039.9421 7017.5811 5502.1739 7448.4318 10.43_740.1044m/z 740.1044 10.43 4354.9738 7165.9112 3963.3935 7977.5701 5823.2682 7526.7254 10.43_830.1844m/z 830.1844 10.43 2015.0056 3458.4628 2443.2968 4154.3776 3370.8013 4169.7222 10.43_832.4244m/z 832.4244 10.43 753.1637 714.2832 660.9349 706.0496 598.9186 656.2891 10.43_845.4554n 863.4542 10.43 10859.4856 14728.3706 9028.5088 16133.2768 12572.9169 15994.1960 10.44_202.8958m/z 202.8958 10.44 219.8932 159.1668 156.2126 135.7842 159.4889 136.3574 10.44_268.1865m/z 268.1865 10.44 234.0341 211.2591 240.3025 219.0593 495.1372 422.4390 10.44_647.5915m/z 647.5915 10.44 540.5340 1792.0177 1051.0996 1909.1158 1561.1070 1912.0558 10.44_739.8178m/z 739.8178 10.44 7115.9620 11041.4155 6186.0719 11760.5449 9150.8079 11938.6653 10.44_739.9613m/z 739.9613 10.44 6274.9956 9477.5497 5684.5772 10381.2232 8224.9150 10716.4649 10.44_740.2471m/z 740.2471 10.44 1812.3452 3780.9220 2237.8708 4295.8384 3223.8175 4354.0082 10.44_740.3901m/z 740.3901 10.44 407.6590 1347.1040 1110.5961 1661.2853 1443.9694 1828.0708 10.44_764.4083m/z 764.4083 10.44 283.9655 267.1244 292.6022 231.1225 258.9976 252.1698 10.44_764.6588m/z 764.6588 10.44 259.1927 194.1179 191.0636 301.4810 177.6926 286.1189 10.44_768.1529m/z 768.1529 10.44 399.1128 387.7800 305.2810 376.3683 397.1293 387.8248 10.44_817.7601m/z 817.7601 10.44 376.5447 1252.7492 573.5940 1348.5662 1037.2139 1470.3876 10.44_862.7864m/z 862.7864 10.44 11085.6989 18497.0410 11258.7921 20839.4993 15940.1143 21450.8735 10.44_862.9537m/z 862.9537 10.44 15952.8684 26441.4684 16372.1577 30413.1841 23727.5080 30131.7211 10.44_863.1206m/z 863.1206 10.44 13786.6986 23686.6927 14653.8463 26332.2511 20427.3274 27122.3784 10.44_863.2876m/z 863.2876 10.44 12654.4842 18636.6477 11050.3233 20188.4130 15776.6856 20235.1314 10.44_869.4455m/z 869.4455 10.44 791.0421 1482.5578 920.0203 1654.9133 1220.6801 1904.3784 10.44_879.6226n 863.6214 10.44 6607.6373 11216.9693 6251.2083 12143.7127 9242.4295 12477.0843 10.45_549.2669m/z 549.2669 10.45 700.4049 646.6709 655.2482 708.9398 697.7228 673.1292 10.45_764.1592m/z 764.1592 10.45 271.4055 270.4102 232.2800 260.8499 251.0472 300.4125 10.46_647.7167m/z 647.7167 10.46 177.1117 1245.5933 703.9319 1288.8099 967.3715 1439.7501 10.46_744.4916n 767.4761 10.46 3217.8423 3692.2235 2429.6592 3596.1360 3113.2386 3440.3118 10.46_868.9504m/z 868.9504 10.46 638.9746 742.7386 231.7323 729.4489 527.3114 653.4304 10.47_342.1451n 325.1418 10.47 3026.5826 2870.7251 3089.3959 3006.1998 3007.6690 3009.7169 10.47_836.0677m/z 836.0677 10.47 1335.8887 1352.7324 1262.6527 1545.9302 1544.3750 1711.0019 10.47_836.2343m/z 836.2343 10.47 1186.2762 1256.1045 1258.4375 1278.1744 1233.9188 1250.8111 10.47_840.4036m/z 840.4036 10.47 132.5121 317.8164 285.5147 314.7193 326.1591 299.3297 10.47_842.3904m/z 842.3904 10.47 418.7761 476.9732 330.8003 329.5620 527.9131 421.3344 10.47_842.8984m/z 842.8984 10.47 217.7178 314.0524 105.5727 190.8562 224.4522 256.1407 10.48_163.1122m/z 163.1122 10.48 1176.2481 668.0488 1246.5377 652.6519 1249.4971 1032.8991 10.48_835.9023m/z 835.9023 10.48 1134.9106 1387.5081 1596.4156 2069.4293 2124.9871 2359.1147 10.48_836.4030m/z 836.4030 10.48 894.8775 909.4062 936.2128 921.7151 1095.7378 1144.5109 10.48_836.5795m/z 836.5795 10.48 354.4936 673.1684 632.6362 860.3512 715.0843 1000.3793 10.49_315.1213m/z 315.1213 10.49 1003.8659 1046.5493 974.8112 1022.8210 1003.6608 1023.1912 C16H20O5 Mono-2-ethyl-5-oxohexyl phthalate 40321-98-0 MEDIUM 10.49_817.9237m/z 817.9237 10.49 990.8621 1240.5419 889.3724 1037.3641 1061.4553 1109.7661 10.49_818.4224m/z 818.4224 10.49 503.4232 591.2182 448.8512 561.5745 426.5934 536.6679 10.50_272.2125n 255.2092 10.50 1395.2322 1454.4205 1435.7658 1468.1085 1383.2283 1472.6430 10.50_490.2073m/z 490.2073 10.50 398.1002 400.4656 414.8182 362.6875 383.9990 408.5967 10.51_505.2381m/z 505.2381 10.51 329.9196 347.9289 407.7149 386.9844 352.7339 363.9969 10.51_754.3777m/z 754.3777 10.51 238.8444 195.8416 190.2627 187.9598 292.5293 243.5192 10.52_261.1099m/z 261.1099 10.52 6578.6189 6495.0858 6825.4673 6508.7586 6957.2599 7164.2063 10.52_633.2551m/z 633.2551 10.52 5921.0675 6385.3615 7415.4698 7706.2414 7328.0916 7492.7991 10.52_754.5790m/z 754.5790 10.52 479.9221 411.8425 319.1651 555.5007 512.2746 396.1440 10.54_237.1450m/z 237.1450 10.54 9137.3924 8786.1607 9640.5550 8910.1458 9480.3120 9018.9858 10.55_816.0933m/z 816.0933 10.55 186.9803 504.2066 361.0207 579.3549 469.5374 589.3033 10.55_837.1030m/z 837.1030 10.55 1418.2453 2061.4580 1408.8447 2387.3299 1705.0206 2557.7047 10.55_837.2702m/z 837.2702 10.55 726.6523 1252.7502 907.9083 1231.3110 1295.9211 1268.6427 10.56_815.5928m/z 815.5928 10.56 1426.7795 1807.7904 1646.5333 2230.7299 1728.2791 2199.5716 10.56_815.9266m/z 815.9266 10.56 843.9055 987.3453 901.5512 1106.7654 953.3635 1051.8005 10.56_978.3115m/z 978.3115 10.56 206.0204 676.9103 384.0699 596.5875 714.5599 874.0745 10.56_978.5094m/z 978.5094 10.56 409.0150 1047.0261 615.6689 978.6748 927.1997 1068.7907 10.56_978.7099m/z 978.7099 10.56 381.9828 785.1923 742.4010 897.8584 573.0274 927.4199 10.57_245.1089m/z 245.1089 10.57 2546.6499 2548.8327 2800.4123 2747.2820 2802.0186 2826.9679 10.57_814.4178n 837.4350 10.57 1825.2089 2108.1483 1682.6453 2536.1176 1948.2728 2886.2851 10.57_815.7600m/z 815.7600 10.57 1046.5244 1491.1204 1063.0547 1583.1020 1420.0112 1692.5806 10.57_836.7673m/z 836.7673 10.57 888.4466 1278.7873 954.5762 1626.2100 1263.9318 1543.5505 10.57_836.9363m/z 836.9363 10.57 1708.7107 1946.1328 1171.4286 1595.1963 1225.2669 1701.7523 10.58_149.0218m/z 149.0218 10.58 433.0779 416.0821 412.5173 381.8832 398.2095 416.0862 10.58_225.1111m/z 225.1111 10.58 3183.7463 3067.0007 3215.3323 3040.0470 2944.8644 2965.0546 C10H18O4 Sebacic acid Sebacic acid HMDB00792 MEDIUM 10.58_645.3106m/z 645.3106 10.58 344.5194 334.4828 393.3983 351.2243 370.8257 283.6792 10.58_683.2545m/z 683.2545 10.58 2802.3420 2675.1418 2610.3964 2603.6633 2701.3671 2701.8308 10.58_860.0820m/z 860.0820 10.58 827.9331 691.9978 797.4119 757.6667 665.2087 784.7817 10.58_860.4165m/z 860.4165 10.58 716.0927 721.1174 690.1206 709.7306 762.4239 674.9463 10.58_860.7498m/z 860.7498 10.58 427.0254 452.1311 572.1281 451.1274 468.6442 540.8687 10.59_181.0352m/z 181.0352 10.59 687.5527 685.0892 786.8380 732.4796 734.4595 723.5327 C8H12N4 "1,3-Dinitrobenzene" MEDIUM 10.59_219.1735m/z 219.1735 10.59 1472.1788 1342.6929 1606.7139 1258.3557 1143.4819 963.5614 10.59_245.0795m/z 245.0795 10.59 3172.0151 3143.8529 2991.4364 2885.6738 2950.2446 3066.4531 10.59_645.5648m/z 645.5648 10.59 293.2331 284.2844 260.4877 253.8663 224.7155 270.2144 10.60_151.0633n 152.0700 10.60 529.1550 533.9100 517.9546 603.1079 673.9418 1014.1103 10.60_192.1379m/z 192.1379 10.60 301.2205 325.8942 329.0645 441.8686 414.9497 592.3849 10.60_216.0992m/z 216.0992 10.60 275.7203 333.5709 326.3564 427.5818 496.2849 811.2121 10.61_292.6352m/z 292.6352 10.61 231.3137 239.7476 175.6426 182.2340 205.5328 173.0792 10.61_584.2629n 585.2702 10.61 51757.6372 53322.7657 46649.1052 42015.5164 41150.5455 42306.2494 C33H36N4O6 Bilirubin Bilirubin 16990 HIGH 10.61_616.2529m/z 616.2529 10.61 723.5329 697.3262 581.9216 515.7844 475.5960 531.5333 10.62_207.1324m/z 207.1324 10.62 560.4601 585.8993 577.2965 541.2341 531.0104 531.4915 10.62_251.1272m/z 251.1272 10.62 3930.9170 3866.1213 3934.2993 4059.4636 4132.8224 4489.5687 10.62_285.1166m/z 285.1166 10.62 715.0846 732.4615 766.7141 659.0502 628.1053 652.1220 10.62_293.1379m/z 293.1379 10.62 565.7044 577.4597 608.1908 531.3804 547.3126 564.2987 10.62_599.2518m/z 599.2518 10.62 2361.8011 2422.0685 2211.3451 2149.2511 2085.8982 2062.6937 10.62_600.2563n 583.2530 10.62 2776.6451 2774.8332 2571.5072 2394.3901 2169.0128 2145.8877 10.62_856.7501m/z 856.7501 10.62 82.0999 176.5931 164.2606 144.5057 143.8780 187.3192 10.62_857.0873m/z 857.0873 10.62 223.4045 201.6992 235.1373 229.1557 283.1560 223.2721 10.62_857.4203m/z 857.4203 10.62 169.6670 179.6296 121.4698 153.0576 105.7449 167.7476 10.64_290.1109n 273.1077 10.64 794.5155 692.8159 783.4703 737.1373 738.7097 726.7843 10.64_764.4060m/z 764.4060 10.64 202.3344 182.1042 206.4297 85.8360 140.2698 247.2152 10.64_764.6565m/z 764.6565 10.64 228.5898 227.7953 184.1664 226.2402 194.3300 242.2808 10.64_768.1456m/z 768.1456 10.64 141.4381 140.2432 81.4344 169.3272 107.2974 155.7128 10.64_768.6522m/z 768.6522 10.64 371.1311 351.5736 331.0822 295.4934 372.5077 315.9122 10.64_77.0192m/z 77.0192 10.64 160.3688 156.2044 165.7545 152.5069 153.3641 162.8789 10.65_287.1691m/z 287.1691 10.65 94.1367 85.9223 81.7471 55.1301 98.8585 86.0880 10.65_764.9039m/z 764.9039 10.65 116.3628 131.0056 93.4193 161.0644 87.3679 195.6415 10.65_768.3965m/z 768.3965 10.65 239.5877 222.0507 254.2936 261.7235 304.5101 331.7615 10.66_213.1456m/z 213.1456 10.66 4179.2462 3930.2511 4602.1753 4173.9185 4230.1929 3696.4977 C12H23NO3 Icaridin MEDIUM 10.66_226.1553n 249.1444 10.66 3211.4353 3018.7097 3183.7876 3016.4458 3016.0982 3027.5731 10.66_275.1174m/z 275.1174 10.66 498.1421 442.9510 537.6586 446.9330 470.4393 440.7093 10.66_439.1007m/z 439.1007 10.66 606.3700 684.1195 666.4577 561.2719 690.4523 612.5116 10.67_631.2502m/z 631.2502 10.67 1159.1307 1232.8335 1175.7194 1151.3408 1105.2612 1079.3964 10.68_182.1175m/z 182.1175 10.68 315.3360 291.3894 259.4223 293.2383 235.1320 277.4768 C10H12O2 Isoeugenol HMDB05802 MEDIUM 10.70_531.3125m/z 531.3125 10.70 503.2616 531.9374 545.0709 544.0835 560.8651 566.7809 10.70_531.8119m/z 531.8119 10.70 374.7196 357.2438 309.4292 276.9252 288.3988 345.9251 10.70_539.2934m/z 539.2934 10.70 147.1132 188.9751 177.6444 179.8369 170.5790 194.3513 10.71_310.2141n 328.2479 10.71 2388.9657 2462.9726 2531.3731 2518.0707 2311.9856 2428.3385 10.71_565.2584m/z 565.2584 10.71 736.3361 763.0304 748.0070 713.5462 686.2897 664.2984 10.72_219.1739m/z 219.1739 10.72 2293.6060 2215.9043 2554.2838 2031.3205 1749.7566 1561.7735 10.72_316.2480m/z 316.2480 10.72 11989.9943 12544.1436 12563.0507 13042.0721 12015.0021 11941.7402 10.72_334.2359m/z 334.2359 10.72 679.0649 703.5160 747.3069 652.1118 526.6679 505.2249 10.72_355.2324n 356.2193 10.72 1169.8334 1190.7138 1301.3472 1160.7355 1003.3680 883.6397 10.76_245.0790m/z 245.0790 10.76 6131.3801 5852.5405 6514.7236 5921.3941 6131.8185 5942.6396 C12H14O4 Diethyl phthalate 84-66-2 MEDIUM 10.76_315.1208m/z 315.1208 10.76 996.2570 1031.7749 1047.2525 1041.0172 984.8673 1021.8217 C16H20O5 Mono-2-ethyl-5-oxohexyl phthalate 40321-98-0 MEDIUM 10.77_149.0221m/z 149.0221 10.77 691.4581 676.3250 760.0386 662.7389 689.4075 690.5750 10.78_240.1304n 223.1271 10.78 6329.7197 6086.4854 6410.4233 6092.4696 6251.1625 6225.9158 10.79_611.7775m/z 611.7775 10.79 325.8344 292.8453 331.9262 315.4944 265.9113 293.0218 10.80_448.2440m/z 448.2440 10.80 188.3783 205.3033 213.5449 245.4379 220.1743 210.8780 10.82_341.1926m/z 341.1926 10.82 1167.9181 1123.9724 1272.4568 1109.5073 995.6848 1050.8692 10.83_198.9882m/z 198.9882 10.83 589.9272 572.1345 608.0939 625.9302 617.9599 605.0855 10.83_321.1607m/z 321.1607 10.83 530.2110 514.7982 579.6778 464.5471 580.6581 801.9853 10.83_563.7824m/z 563.7824 10.83 186.6394 201.8741 198.5762 153.1817 160.3637 174.2555 10.84_139.9243m/z 139.9243 10.84 138.8255 103.0456 124.5127 124.6891 132.1150 140.2312 10.84_253.1332m/z 253.1332 10.84 732.7172 784.7030 826.4261 812.7063 836.9975 863.5360 10.84_291.1909m/z 291.1909 10.84 1585.0723 1591.0752 1566.0451 1519.7852 1558.0766 1589.8606 10.84_367.2095m/z 367.2095 10.84 4318.7633 4313.5593 4335.3129 4225.3060 4245.7244 4394.7506 10.84_383.1727m/z 383.1727 10.84 933.7956 900.7179 952.7157 944.8046 983.1036 990.6542 C19H26O8 Neosolaniol MEDIUM 10.86_190.0984n 173.0951 10.86 372.6764 320.5162 297.1264 360.2981 360.4331 384.3341 10.86_250.1198n 273.1097 10.86 7600.0895 7511.5524 7782.0024 7674.1791 8048.9852 8382.4004 C14H18O4 Ubiquinone-1 Ubiquinone-1 HMDB02012 MEDIUM 10.86_289.0756m/z 289.0756 10.86 890.8815 898.4400 915.5611 967.9728 955.0191 921.7375 C14H15N3O5 Entacapone 4798 HIGH 10.86_389.2504m/z 389.2504 10.86 3071.2025 2883.7395 2865.4425 2739.9457 2744.1013 2955.6839 10.87_323.0577m/z 323.0577 10.87 795.4604 828.3978 838.5684 860.1062 835.2798 859.1827 10.88_184.8853m/z 184.8853 10.88 167.6150 159.8447 205.7447 215.6289 216.9598 253.3769 10.89_199.1309m/z 199.1309 10.89 925.8682 894.1317 947.4405 883.2503 869.5918 907.7998 C9H13N2O2+ Pyridostigmine Pyridostigmine 257330 MEDIUM 10.89_79.0002m/z 79.0002 10.89 282.9883 276.6791 284.4929 263.9758 264.4757 276.1412 10.91_149.0201m/z 149.0201 10.91 412.1994 401.3773 413.6485 390.1199 409.9559 420.0656 10.91_333.1587n 317.1361 10.91 2833.5755 2875.7928 2954.3252 2866.2804 2772.4893 3005.6973 10.91_357.2027m/z 357.2027 10.91 1899.1347 1877.0859 1968.4880 1908.8998 1911.8078 1991.5017 C22H30O5 Jasmolin II 39114 MEDIUM 10.92_470.7722m/z 470.7722 10.92 120.9071 90.8283 125.9780 91.7279 66.3517 136.3196 10.92_576.5055m/z 576.5055 10.92 222.4490 215.7198 172.3362 193.9987 163.5027 194.7549 10.92_680.3098m/z 680.3098 10.92 247.7469 268.8043 350.7169 346.2869 339.7716 306.8850 10.92_680.9766m/z 680.9766 10.92 118.3287 128.7830 165.0255 157.2280 134.9099 129.2435 10.92_745.3174n 763.3513 10.92 2809.0919 2890.0364 2916.4861 3003.6158 2806.0152 2904.6962 10.92_763.0173m/z 763.0173 10.92 1708.5535 1630.7169 1890.2605 1786.4738 1608.2484 1813.9264 10.92_769.0068m/z 769.0068 10.92 385.0452 416.1872 511.1775 489.0081 374.8882 408.1891 10.92_771.0115m/z 771.0115 10.92 296.8993 227.1333 297.7520 238.8769 254.6046 279.3543 10.92_772.6926n 755.6893 10.92 1297.8678 1341.2228 1332.3381 1315.5951 1243.7264 1292.6732 10.92_773.0268n 756.0235 10.92 1132.5488 1205.4531 1016.8910 1122.9315 1065.8437 1198.3462 10.92_773.3616n 756.3583 10.92 715.4175 765.5872 701.9824 738.9704 723.1147 700.5223 10.92_776.3292m/z 776.3292 10.92 362.2080 341.8185 372.2680 370.7939 355.7305 370.4650 10.92_776.6632m/z 776.6632 10.92 423.9589 390.7213 453.5422 461.1519 452.1369 402.6187 10.92_776.9947m/z 776.9947 10.92 326.1920 289.6127 307.7824 356.1173 276.1415 274.0615 10.93_165.0685m/z 165.0685 10.93 2696.8585 2734.0740 2746.7655 2785.4706 2731.7401 2774.9295 10.93_201.0427m/z 201.0427 10.93 3435.8302 3321.4542 3501.6485 3326.9209 3336.1703 3398.5513 10.93_203.0433m/z 203.0433 10.93 1383.2696 1453.9652 1463.5271 1411.2593 1394.2866 1429.2217 C7H13N3O3S Oxamyl 38539 MEDIUM 10.93_295.1575m/z 295.1575 10.93 989.3098 919.5534 1060.3281 954.6670 983.6498 1024.6427 10.93_345.1373m/z 345.1373 10.93 1312.2447 1280.2236 1291.5313 1343.0625 1219.6282 1318.4952 10.93_347.1383m/z 347.1383 10.93 643.3955 620.1718 683.5330 694.9764 627.9077 683.7908 10.93_576.7568m/z 576.7568 10.93 274.4076 297.9067 329.6913 306.1089 307.4262 298.4770 10.93_577.0073m/z 577.0073 10.93 150.6360 190.5757 166.0683 190.7996 216.3491 267.6729 10.93_680.6469m/z 680.6469 10.93 191.1424 115.1208 182.5392 211.2204 230.9607 211.5114 10.93_763.6835m/z 763.6835 10.93 1346.3784 1286.9725 1393.6289 1405.1676 1261.3553 1386.8748 10.93_768.6724m/z 768.6724 10.93 780.7961 691.6898 909.3938 816.5366 690.3242 766.5577 10.93_770.6779m/z 770.6779 10.93 484.4722 362.7546 462.3790 436.6993 384.3398 414.5129 10.95_176.1203n 177.0902 10.95 1481.9908 1590.8524 1452.7580 1640.6361 1614.8642 1719.4418 10.95_259.1304m/z 259.1304 10.95 4245.6818 4409.7683 4366.0043 4766.9983 4703.9603 5426.8763 10.97_174.1034n 197.1294 10.97 620.4616 679.6177 618.3377 645.4862 637.9223 628.1704 10.97_183.1147m/z 183.1147 10.97 102.5358 103.6738 115.6793 112.4808 104.6263 102.3952 10.97_211.1333m/z 211.1333 10.97 924.9851 914.7149 931.9890 877.3155 974.9799 800.3641 10.97_443.1429m/z 443.1429 10.97 1545.3938 1508.8913 1615.4493 1628.3377 1582.6876 1617.3352 10.97_467.1486m/z 467.1486 10.97 1698.8706 1619.8661 1714.7354 1546.1953 1505.7595 1561.1218 10.97_488.1408n 489.1839 10.97 6038.1479 6133.4116 6182.3416 6334.6511 6051.7649 6200.8072 10.97_517.1276m/z 517.1276 10.97 764.8149 770.6665 814.1042 796.8682 735.0478 753.0825 10.97_529.1237m/z 529.1237 10.97 427.3258 492.8350 493.3237 508.8439 426.2994 464.7988 10.97_554.0837n 555.0893 10.97 1210.3694 1136.6116 1134.1820 1220.6564 1054.6419 1157.4091 10.97_803.2837m/z 803.2837 10.97 425.7169 419.6540 423.2216 434.4308 388.0125 401.2381 10.98_128.0621m/z 128.0621 10.98 166.1533 199.1861 208.5829 215.8974 189.0577 201.1116 10.98_155.0804m/z 155.0804 10.98 381.1307 368.2675 406.1315 418.3415 346.5711 349.2183 C11H14O3 2-Aminobenzoic acid 2-Aminobenzoic acid 30754 MEDIUM 10.98_168.0852n 152.0626 10.98 681.8271 667.3436 684.6300 743.4883 671.9622 651.1490 10.98_213.1519m/z 213.1519 10.98 628.5781 653.2916 725.9829 731.9403 690.3928 606.7012 10.98_270.1983n 253.1943 10.98 10000.7175 10212.6504 10451.7728 10714.5784 10200.9331 10319.6041 10.98_407.1199m/z 407.1199 10.98 3641.8508 3579.1995 3729.8840 3910.6706 3834.7772 4167.1780 10.98_423.1669m/z 423.1669 10.98 2070.2134 2059.7469 2195.8661 2245.5679 2129.1257 2206.9933 10.98_430.1409n 413.1376 10.98 6335.9238 6440.4893 6491.3423 6726.8653 6409.0370 6615.1472 10.98_433.0920m/z 433.0920 10.98 489.9035 560.9769 517.4924 551.5148 590.3756 520.5979 10.98_435.0935m/z 435.0935 10.98 388.1896 420.4907 382.7966 366.3006 425.5882 417.1863 10.98_456.1479n 439.1446 10.98 10404.2613 10461.4464 10749.8639 11064.8934 10624.9715 10799.6890 10.98_462.1624n 463.1153 10.98 3683.6131 3672.4008 3751.6454 3828.4413 3642.8654 3658.2103 10.98_515.1067m/z 515.1067 10.98 522.0684 518.8242 483.5981 556.0670 504.6468 531.5798 10.98_579.0590m/z 579.0590 10.98 636.9184 526.6721 583.3962 593.0775 521.0885 616.9068 10.98_583.0529m/z 583.0529 10.98 543.1942 561.5165 519.3429 605.9062 554.0434 534.5326 10.98_593.0737m/z 593.0737 10.98 470.1797 416.5498 460.1451 441.6778 463.2487 444.2791 10.99_158.1537m/z 158.1537 10.99 467.3820 406.3648 495.5492 420.0953 436.5207 410.0755 C9H16O 2-Nonenal MEDIUM 10.99_207.1328m/z 207.1328 10.99 1185.0346 1134.0537 1192.8946 1217.4011 1129.6822 1157.5244 10.99_376.2027m/z 376.2027 10.99 2116.2670 1832.2020 1999.7123 1870.6046 1941.9261 1949.8555 C21H27N3O2 Methysergide 584020 MEDIUM 11.00_351.2097m/z 351.2097 11.00 524.7869 545.8030 539.3253 468.0520 512.3186 533.0169 C22H28N2O3 Methoxyfenozide 38449 MEDIUM 11.01_271.0636m/z 271.0636 11.01 517.2804 494.1790 473.7134 542.8812 531.1340 504.8522 11.01_748.4810m/z 748.4810 11.01 350.4953 324.7302 181.7930 388.9037 326.3277 355.2969 11.04_618.3341m/z 618.3341 11.04 196.5032 204.2667 231.9834 203.2424 192.5138 188.4303 11.05_583.7738m/z 583.7738 11.05 326.5749 243.3661 301.5837 304.7709 305.8177 324.5869 11.06_315.1217m/z 315.1217 11.06 5812.2936 5999.8289 6933.5397 6584.0971 6763.4963 6300.1236 C16H20O5 Mono-2-ethyl-5-oxohexyl phthalate 40321-98-0 MEDIUM 11.06_359.2353m/z 359.2353 11.06 1724.2403 1620.6341 1854.6896 1752.5509 1669.4932 1806.5074 11.06_391.2075m/z 391.2075 11.06 1176.9895 1271.2644 1214.6865 1195.4448 1200.0270 1144.3765 11.06_572.2796m/z 572.2796 11.06 308.0858 226.7002 269.8956 242.9563 295.0456 272.8612 11.06_591.2534m/z 591.2534 11.06 349.2251 336.7266 335.7504 299.0931 327.7876 347.3706 11.07_139.9256m/z 139.9256 11.07 304.8852 298.1607 335.3072 302.9455 271.8283 365.1276 11.07_306.0903n 307.0975 11.07 3045.7429 2824.1654 3163.5755 2954.4762 3261.7447 3091.7662 11.07_337.1109m/z 337.1109 11.07 1304.1263 1265.8697 1370.0879 1279.2475 1375.7314 1311.1593 11.07_371.2391m/z 371.2391 11.07 1741.1524 1744.4885 1793.4292 1796.1620 1811.7768 1783.4707 C20H34O6 Grayanotoxin III MEDIUM 11.07_387.2052m/z 387.2052 11.07 1402.3899 1404.5059 1484.2771 1414.2002 1416.9056 1480.7752 11.07_831.2418m/z 831.2418 11.07 438.0007 677.9238 331.6712 507.0036 437.4994 661.6850 11.07_831.4421m/z 831.4421 11.07 547.7453 809.7155 421.1995 769.7802 564.3070 751.5027 11.07_831.6438m/z 831.6438 11.07 601.4725 717.0229 369.8247 583.4917 495.6162 715.4336 11.08_115.0318m/z 115.0318 11.08 315.7074 322.9213 313.5974 299.0939 293.1961 349.1290 11.08_351.0353n 352.0426 11.08 10338.6247 10781.2322 11023.5046 10574.3681 10851.9707 10828.5856 C14H13N3O4S2 Meloxicam Meloxicam 120496 HIGH 11.08_402.1703m/z 402.1703 11.08 452.6311 424.7017 450.1121 424.6836 459.8231 444.9156 11.09_247.1283m/z 247.1283 11.09 1041.8621 1107.5250 1136.6497 1094.3247 1145.1899 1130.9987 11.14_599.2619m/z 599.2619 11.14 1276.1136 1306.7515 1236.6379 1199.0088 1233.4995 1307.2395 11.15_235.1939n 219.1713 11.15 769.5127 666.0651 803.1052 657.2505 701.0790 607.2015 11.15_795.1392m/z 795.1392 11.15 277.5067 178.3951 316.3782 288.7169 255.7609 264.6780 11.15_795.8917m/z 795.8917 11.15 161.5789 165.6705 195.6683 216.2048 183.1811 178.6421 11.16_197.1773n 180.1740 11.16 426.0382 489.3488 473.2896 486.5250 552.4458 548.6272 11.16_225.1701n 226.1803 11.16 3223.4051 3219.5490 3220.1598 3300.7237 3618.7706 3590.9485 11.16_265.1654n 266.1727 11.16 5941.5077 5880.8652 6318.1848 6092.6166 7081.5713 6964.4300 11.16_795.3891m/z 795.3891 11.16 394.3155 367.6818 387.0465 329.8856 400.6640 408.3815 11.16_795.6399m/z 795.6399 11.16 370.7996 306.2476 360.4579 366.1902 357.4497 349.0150 11.17_179.1061m/z 179.1061 11.17 1909.2470 1935.4539 2056.5282 1786.4404 1906.1307 1822.4354 C11H14O2 Methyleugenol Methyleugenol 4918 MEDIUM 11.17_194.0907n 195.1007 11.17 3409.0103 3365.8239 3377.6795 3346.5981 3394.9493 3332.2892 11.18_181.0857m/z 181.0857 11.18 9808.8546 9794.8428 9716.8187 9684.0120 9782.0891 9798.7757 C10H12O3 Propylparaben HMDB32574 94-13-3 HIGH 11.18_223.1099m/z 223.1099 11.18 4716.6875 4551.5731 4933.2462 4634.6760 4655.2073 4780.7822 11.18_235.0645m/z 235.0645 11.18 1415.2005 1441.4933 1405.5129 1424.5831 1441.3287 1497.7520 11.18_262.0820n 263.0893 11.18 9241.7443 9367.3690 9733.3778 9480.0667 9538.3258 9884.8261 11.18_279.0606m/z 279.0606 11.18 3107.3566 3117.4074 3193.9651 3052.0271 3163.5882 3325.8028 C15H12O4 Mono-benzyl phthalate 2528-16-7 HIGH 11.18_303.1133m/z 303.1133 11.18 3149.3082 3105.5201 3287.8197 3052.8963 3184.2431 3233.7078 11.19_241.1362m/z 241.1362 11.19 873.5686 868.5543 911.0944 871.6852 949.5431 993.9465 11.19_247.1261m/z 247.1261 11.19 1310.4140 1317.7131 1360.8476 1215.1146 1303.9983 1276.4450 11.21_589.3007m/z 589.3007 11.21 2044.3857 1960.8332 1953.0004 1930.4761 1922.6394 2120.9163 11.22_508.5753m/z 508.5753 11.22 508.1840 510.8184 532.5505 529.0677 598.0549 599.3479 11.22_512.1917m/z 512.1917 11.22 456.6663 484.5993 507.0225 464.7760 464.8400 468.8413 11.22_742.3775n 743.3847 11.22 2444.7622 2412.2415 2525.3083 2583.6318 2478.3058 2505.2341 11.22_742.8792n 743.8865 11.22 1679.0112 1745.2286 1616.0710 1742.3729 1686.7763 1616.4805 11.22_754.3763m/z 754.3763 11.22 2426.2184 2303.6905 2330.7436 2494.9675 2422.3492 2425.1494 11.22_754.8777m/z 754.8777 11.22 1646.2815 1784.3124 1647.6621 1590.2416 1765.3950 1886.7789 11.22_762.8578m/z 762.8578 11.22 335.8902 356.9260 390.9061 292.6632 306.3087 349.8976 11.23_128.0624m/z 128.0624 11.23 248.3902 270.5011 265.4741 236.3018 278.4389 248.1145 11.23_143.0468n 144.0560 11.23 226.1253 218.2973 244.0090 231.7922 243.1942 258.5219 11.23_157.0912n 141.0686 11.23 2078.2381 2165.7370 2121.9414 2110.6413 2079.1670 2183.3248 11.23_170.0728m/z 170.0728 11.23 2987.5287 3078.9344 3076.6661 3016.7411 2977.4558 3176.9813 11.23_185.0964m/z 185.0964 11.23 27672.7462 28015.5708 28223.4541 27363.8431 28075.6396 29422.8726 11.23_230.0941n 253.0837 11.23 22899.0851 23202.2987 23145.8005 22619.3244 22655.5591 23930.6149 11.23_259.0421n 242.0388 11.23 2241.6633 2313.0653 2224.0627 2178.9791 2232.1061 2324.3878 11.23_269.0601m/z 269.0601 11.23 2114.2591 2136.7669 2098.3052 1989.0115 2090.7443 2238.2598 11.23_283.0735m/z 283.0735 11.23 1424.6036 1392.4017 1424.9955 1361.8073 1427.0451 1477.0665 11.23_288.0722n 289.0695 11.23 1980.6159 1900.0572 2019.4571 1915.5997 1900.9605 1854.1179 11.23_298.0549n 299.0790 11.23 3274.3987 3322.6702 3245.1997 3114.4234 3309.6673 3376.9361 11.23_324.0968n 307.0935 11.23 6663.6747 6705.0108 6740.2170 6615.7157 6764.3196 6793.6718 11.23_332.0579n 315.0546 11.23 20347.1442 20406.1422 20725.0685 20184.9863 20607.2053 20645.3133 11.23_339.0221m/z 339.0221 11.23 2692.9320 2671.0897 2638.0219 2572.2811 2688.3552 2668.4884 11.23_343.0229m/z 343.0229 11.23 1533.4448 1634.1617 1598.4859 1522.4555 1591.4303 1599.3855 11.23_347.0393n 331.0283 11.23 1787.0458 1677.9192 1616.4982 1537.9623 1631.6280 1627.8353 11.23_439.9827n 422.9794 11.23 1186.2515 1182.1200 1147.1893 1105.3418 1113.3466 1125.2666 11.23_441.9853n 424.9821 11.23 926.9018 878.6156 855.2926 781.9161 886.7728 774.7563 11.23_483.1591m/z 483.1591 11.23 1001.5340 1022.4467 970.4203 1036.6008 977.6543 1035.1928 11.23_515.1183m/z 515.1183 11.23 586.0710 611.9722 616.7018 644.6904 585.8181 653.2544 11.23_516.1474n 499.1441 11.23 6292.2619 6379.6580 6197.4641 6352.4092 6108.4820 6512.3883 11.23_523.1125m/z 523.1125 11.23 995.3443 1053.2123 936.5959 935.8135 940.3282 992.4167 11.23_525.1108m/z 525.1108 11.23 729.9641 778.4194 666.5147 690.9535 699.8429 740.8684 11.23_544.1147n 527.1114 11.23 1221.6557 1215.7409 964.4523 1088.2748 1023.9484 1007.4304 11.24_131.0765n 154.0769 11.24 2225.4236 2176.3512 2192.2770 2199.9372 2142.4483 2249.9795 11.24_255.2095m/z 255.2095 11.24 337.3285 473.4642 414.9454 395.8882 422.2943 417.1640 11.24_257.0260n 275.0665 11.24 2606.0042 2546.2186 2525.2920 2425.9034 2542.7962 2599.4965 11.24_318.0030n 341.0203 11.24 2340.4024 2439.4892 2230.1291 2199.0331 2199.9099 2337.0435 11.24_339.2289m/z 339.2289 11.24 489.5115 499.3074 448.8781 512.4711 523.0260 460.4763 11.24_405.0244m/z 405.0244 11.24 456.7897 484.3091 395.9795 412.2671 391.8574 423.3360 11.24_445.9977m/z 445.9977 11.24 598.0289 666.0715 591.5320 513.5356 554.6759 554.0338 11.25_330.2642m/z 330.2642 11.25 756.4627 767.9162 744.3576 739.4253 741.2793 783.0062 11.27_149.0168m/z 149.0168 11.27 780.2573 746.3826 762.4195 744.7804 717.3017 759.6370 11.27_152.0624m/z 152.0624 11.27 5445.8003 5418.3255 5549.3440 5407.4567 5439.1064 5497.8411 11.27_165.0697m/z 165.0697 11.27 4468.4090 4438.6843 4579.0693 4533.9528 4573.6772 4423.0374 C13H10O 3-Hydroxyfluorene HIGH 11.27_167.0857m/z 167.0857 11.27 14247.5646 14465.6049 14782.2309 14614.9026 14658.2625 14574.1599 C13H10 Fluorene Fluorene 28266 HIGH 11.27_265.0846m/z 265.0846 11.27 1460.6173 1439.7885 1530.6261 1499.5763 1417.5165 1449.1624 C17H14O4 3'-4'-Dimethoxyflavone MEDIUM 11.27_287.0633m/z 287.0633 11.27 2339.2681 2357.4797 2458.9886 2407.9798 2448.8563 2533.6742 11.28_490.2048m/z 490.2048 11.28 255.1798 214.7114 260.6134 241.9621 233.6439 263.0772 11.29_312.1318m/z 312.1318 11.29 1015.8403 723.8294 819.5657 688.4303 961.2865 834.3756 11.29_371.2356m/z 371.2356 11.29 1491.5347 1493.6981 1485.7151 1495.7304 1520.3126 1528.5796 11.29_387.2035m/z 387.2035 11.29 828.1156 843.5740 814.4847 793.4635 778.9665 839.0942 11.29_777.6958m/z 777.6958 11.29 7014.2972 7625.9437 8067.7560 8097.9953 7565.1628 7876.5657 C15H11I4NO4 Thyroxine Thyroxine HMDB00248 HIGH 11.30_291.1907m/z 291.1907 11.30 1032.7841 1062.8658 1014.9919 1045.7302 1034.6708 1066.5975 11.30_296.1847m/z 296.1847 11.30 197.1642 182.9722 204.2210 140.0934 214.2272 209.7866 C16H22O4 Monoethylhexyl phthalic acid Monoethylhexyl phthalic acid 17243 HIGH 11.30_326.2094n 349.1984 11.30 10466.3730 10754.6825 10800.2763 10842.8619 10472.7698 11074.0604 11.30_439.1459m/z 439.1459 11.30 728.9389 738.5908 706.9582 721.8691 680.8852 730.8234 11.31_235.1600m/z 235.1600 11.31 1089.9955 1004.7030 1106.6107 1040.7075 998.3979 1065.8305 11.31_473.1312n 491.1992 11.31 1272.7044 1281.3288 1290.1592 1251.4049 1323.3360 1317.2846 11.32_227.1885n 250.1764 11.32 9038.7498 8701.2568 9188.2930 8971.3835 11730.8999 11053.2559 11.32_282.2048m/z 282.2048 11.32 5828.6055 5794.9703 6089.0350 6018.2413 9391.5876 8546.9772 11.32_477.1812m/z 477.1812 11.32 497.4674 488.1340 425.1522 389.5204 400.9176 391.6816 11.35_259.1209m/z 259.1209 11.35 863.4770 841.3604 926.7158 919.2927 926.9396 953.8424 11.35_778.4170m/z 778.4170 11.35 147.1125 925.0556 723.0835 1103.3354 801.2160 1156.7334 11.36_211.1218m/z 211.1218 11.36 646.5115 499.3671 544.4759 439.5620 734.8187 811.7311 11.36_889.9077m/z 889.9077 11.36 554.4464 2219.6188 1856.4885 2797.0329 2738.8411 3213.4712 11.37_219.1731m/z 219.1731 11.37 997.6819 953.6922 1035.7649 956.1429 826.0078 817.8856 11.37_427.7992m/z 427.7992 11.37 229.3953 167.0690 179.6852 249.2469 244.6369 189.6329 11.37_889.4767m/z 889.4767 11.37 309.3827 2373.3764 2535.8866 3631.1639 3091.2414 3712.2538 11.37_928.9257m/z 928.9257 11.37 2512.1562 6305.3449 2907.2867 6395.0711 5002.7364 6800.7438 11.38_197.1496m/z 197.1496 11.38 150.5068 131.5696 91.0311 156.0305 127.8471 127.6526 11.39_229.0753m/z 229.0753 11.39 3065.6707 2992.6917 3226.9889 2800.5392 2840.7631 2875.1819 11.39_259.1160n 243.0935 11.39 1552.6806 1356.2879 1437.7337 1357.6958 1394.1700 1353.4365 11.39_262.0859m/z 262.0859 11.39 1451.6825 1400.6456 1447.1064 1320.2745 1324.4793 1385.3192 11.39_278.0880n 279.0953 11.39 15679.0182 14795.3706 16228.7575 14874.9761 15516.5670 15361.6699 C8H14N4O7 Diazolidinyl urea MEDIUM 11.39_928.6395m/z 928.6395 11.39 1548.3517 2946.5938 1057.9854 2756.2975 2182.0343 3110.3427 11.40_199.1231m/z 199.1231 11.40 294.4934 302.7251 284.4409 269.4310 274.6101 267.2850 C13H14N2 "4,4'-Methylenedianiline" 32506 MEDIUM 11.40_218.0831n 201.0798 11.40 4607.0578 4530.9798 5050.4398 4248.2598 4290.0165 4210.5551 11.40_232.0708n 233.0971 11.40 770.2685 763.1150 684.1392 610.8499 605.3320 619.8345 11.40_250.0596m/z 250.0596 11.40 554.8181 624.5697 607.4184 530.3434 520.9491 566.2255 11.40_257.0741n 240.0708 11.40 696.9606 624.9019 739.5063 606.3894 594.1598 534.2428 11.40_270.0790m/z 270.0790 11.40 172.7868 119.9030 133.1083 93.2102 86.8415 46.4899 11.40_333.1650m/z 333.1650 11.40 3045.0638 2764.8758 3096.7453 2937.1931 2956.8422 3024.9202 C10H17N7O5 Neosaxitoxin MEDIUM 11.40_345.1976m/z 345.1976 11.40 657.5156 674.7511 727.5152 589.5466 647.3607 558.8796 11.40_803.5568n 821.5907 11.40 704.8251 592.4238 619.9811 709.1796 659.3739 668.9770 11.40_818.5960m/z 818.5960 11.40 383.0204 468.4425 471.1744 399.9864 505.9638 381.2483 11.40_818.7977m/z 818.7977 11.40 488.2571 386.5671 460.1778 529.0719 455.5530 568.6722 11.40_818.9976m/z 818.9976 11.40 516.5584 373.8792 505.9391 478.5857 535.1656 507.8934 11.40_821.9926m/z 821.9926 11.40 789.3170 842.9228 1016.6268 1020.3219 933.6790 966.0621 11.40_822.1908m/z 822.1908 11.40 644.8923 715.9669 726.0438 802.0464 768.3414 838.9275 11.41_253.1353m/z 253.1353 11.41 715.3347 699.0399 717.0021 678.2286 676.0696 712.1642 11.41_275.0734m/z 275.0734 11.41 837.9721 874.6546 907.5189 912.6085 820.3369 902.3648 11.41_803.7582n 821.7920 11.41 1029.6749 1317.9050 1203.1497 1506.6167 1566.4735 1528.9486 11.41_819.1967m/z 819.1967 11.41 315.2524 449.9613 508.1440 570.3345 561.1812 466.8995 11.41_822.3939m/z 822.3939 11.41 319.6714 500.2212 403.9181 403.1896 479.4314 603.0779 11.42_166.0263n 189.0156 11.42 3251.1321 3246.7566 3389.3272 3204.9857 3220.3753 3220.4048 11.42_181.0169m/z 181.0169 11.42 888.0316 719.7522 869.3269 854.9675 809.3200 837.4094 11.42_204.9938m/z 204.9938 11.42 856.2541 837.4809 886.0559 850.0813 867.4311 857.8750 11.42_270.0874n 271.0947 11.42 16248.2081 16322.8710 16741.7744 16135.2447 16298.3711 16531.1946 C16H14O4 Heratomin MEDIUM 11.42_287.0600m/z 287.0600 11.42 1414.9200 1417.3012 1453.3724 1442.6494 1454.2525 1486.8564 11.42_313.1937m/z 313.1937 11.42 4167.2922 4184.4712 4207.8499 4137.8136 4308.3153 4356.2712 11.42_333.0649m/z 333.0649 11.42 567.4644 630.2707 587.7844 541.8346 585.6344 539.0689 11.42_731.8358m/z 731.8358 11.42 853.6966 3520.4218 1674.8232 3571.9976 3170.0283 3518.6632 11.42_823.1895m/z 823.1895 11.42 4444.6358 10961.0373 6125.3783 10986.7801 9992.5360 11342.5621 11.42_941.0743m/z 941.0743 11.42 1212.7100 5487.8820 2294.3379 5670.1550 4952.7673 5337.0361 11.43_247.1296m/z 247.1296 11.43 4402.9972 4266.2716 4097.0375 3887.4420 4174.6102 4351.9080 11.43_940.6449m/z 940.6449 11.43 8428.4183 19322.1386 9837.3566 18386.3208 16764.2876 19483.6703 11.44_291.1872m/z 291.1872 11.44 5857.0164 5903.5485 6081.8884 5855.9001 6053.9011 6217.2350 11.44_309.0961m/z 309.0961 11.44 612.1676 613.6404 603.0073 522.4464 558.1195 625.8099 11.44_349.1982m/z 349.1982 11.44 39620.3962 40594.4372 41301.1214 40556.2102 41049.0259 41746.0540 11.44_940.9313m/z 940.9313 11.44 2752.3399 10422.2210 4774.6180 11221.5376 9313.6229 11059.1270 11.45_263.1552m/z 263.1552 11.45 969.9525 952.3248 950.5816 838.2742 865.0928 874.6958 11.47_342.2638m/z 342.2638 11.47 3501.7683 3631.0303 3755.6929 3888.1856 3526.3728 3594.7804 11.47_491.2348m/z 491.2348 11.47 544.7058 632.7330 841.0947 711.5105 679.1521 546.6551 C30H37NO6 Cytochalasin C MEDIUM 11.48_222.0540n 205.0507 11.48 2262.1245 2250.0338 2094.5421 2209.0018 2163.7818 2360.4246 11.48_347.1793n 365.1640 11.48 5584.9960 5426.3363 5874.4043 5661.6623 5537.8593 5574.7143 11.50_105.0344m/z 105.0344 11.50 182.5519 158.7498 155.4927 145.1983 172.5436 177.2048 C7H6O2 Benzoic acid Benzoic acid 30746 MEDIUM 11.50_275.1245m/z 275.1245 11.50 958.9230 931.9121 875.3448 857.5924 984.5747 879.9535 11.50_386.1698n 409.1704 11.50 3154.9847 3081.6090 3038.3316 3080.9451 2948.6247 3024.9034 11.50_471.8133m/z 471.8133 11.50 234.0311 275.0490 309.2515 230.5690 242.8404 259.7571 11.51_237.1385m/z 237.1385 11.51 8797.9532 8372.5022 9296.8559 8488.9530 8674.5685 8505.2656 C16H18N2O Elymoclavine MEDIUM 11.51_261.1363m/z 261.1363 11.51 840.6459 842.1187 835.1707 755.2891 775.8925 831.0628 11.51_958.8152n 976.8491 11.51 238.1273 498.1047 544.1230 593.3453 599.1737 779.5932 11.51_976.0142m/z 976.0142 11.51 86.5638 749.8525 753.7357 1025.7900 835.0677 991.9659 11.51_976.3480m/z 976.3480 11.51 1005.3906 2143.3855 2216.2690 2465.2486 2405.6499 2805.3705 11.51_976.5141m/z 976.5141 11.51 547.1494 1679.4249 2014.3912 2047.0655 1710.6733 1974.3760 11.51_976.6814m/z 976.6814 11.51 305.6538 967.4630 987.0010 1069.6323 729.1395 1010.5149 11.51_989.4538m/z 989.4538 11.51 252.7456 214.1116 206.6535 311.4791 145.7615 231.4594 11.52_221.1488m/z 221.1488 11.52 749.5027 709.7209 785.3417 680.3696 756.4959 696.4401 11.52_285.0830m/z 285.0830 11.52 1059.8671 1047.3580 1084.6179 1043.1326 1046.1842 1097.9329 11.52_976.1792m/z 976.1792 11.52 912.5312 2087.9301 2359.4294 2427.7752 2473.3507 2337.0384 11.52_982.1264m/z 982.1264 11.52 196.2955 201.9441 207.3007 214.6191 239.4162 261.6471 11.52_989.1183m/z 989.1183 11.52 236.1123 240.8309 261.1284 175.7187 259.6059 246.9593 11.52_998.4622n 981.4589 11.52 230.8751 162.5642 84.7770 164.0721 254.5501 309.9794 11.55_994.1248m/z 994.1248 11.55 545.5872 695.6584 566.4910 800.9228 549.1031 864.4988 11.56_211.1264m/z 211.1264 11.56 466.1588 510.9803 639.3995 580.5766 615.3948 576.5483 11.56_493.8263m/z 493.8263 11.56 217.0650 204.1503 217.4247 230.4443 249.3870 234.7023 11.56_592.3657m/z 592.3657 11.56 427.8700 484.1686 466.2324 453.7095 412.3014 403.7764 11.56_994.3261m/z 994.3261 11.56 693.1806 860.0537 821.9033 989.2986 690.6977 901.7079 11.56_994.5257m/z 994.5257 11.56 559.0296 1059.6226 765.7099 1063.7916 888.0045 1147.7258 11.56_994.7270m/z 994.7270 11.56 515.7591 668.9635 402.0209 568.1242 559.1259 701.4260 11.58_239.1254m/z 239.1254 11.58 3446.1680 3315.3568 3734.9453 3417.7938 3574.5070 3608.5582 11.58_263.1280m/z 263.1280 11.58 1265.4876 1275.7009 1410.5880 1252.5042 1311.4261 1396.4588 11.58_274.2740m/z 274.2740 11.58 12042.2593 11178.3865 12199.3229 11413.7761 11576.4412 11645.1233 C16H32O2 Palmitic acid Palmitic acid 15756 HIGH 11.59_186.1838m/z 186.1838 11.59 211.9533 201.2808 253.1745 208.3362 216.3171 211.8797 11.59_253.1388m/z 253.1388 11.59 1182.6778 1089.9598 1249.3155 1201.9689 1222.7450 1186.8872 C12H22O4 Dodecanedioic acid Dodecanedioic acid HMDB00623 MEDIUM 11.59_269.1112m/z 269.1112 11.59 1558.2043 1414.8634 1512.6230 1363.9561 1434.4496 1494.1550 11.59_427.2660m/z 427.2660 11.59 2035.9154 2008.0608 2095.0227 2017.5473 2138.7726 2093.3594 11.60_289.1739m/z 289.1739 11.60 1288.1458 1089.1107 2091.0163 1023.4488 1581.9294 904.7423 C18H27NO3 Capsaicin 3374 MEDIUM 11.62_261.1370m/z 261.1370 11.62 746.3472 803.5611 735.1127 749.5291 794.1726 926.0053 11.62_397.1646m/z 397.1646 11.62 1757.0240 1700.5059 1790.0551 1744.9886 1783.4811 1873.8081 11.63_205.0364m/z 205.0364 11.63 1543.1096 1548.3695 1544.3145 1537.6152 1545.2962 1617.8764 11.63_430.2884m/z 430.2884 11.63 324.3089 350.7763 398.9723 401.4197 298.7036 375.6554 11.63_488.2917m/z 488.2917 11.63 398.6534 450.5547 417.0482 394.0123 408.5867 383.5314 11.63_515.8433m/z 515.8433 11.63 124.7218 150.9831 201.2625 123.7332 174.5290 162.6589 11.64_219.0311m/z 219.0311 11.64 493.7311 407.3145 501.5060 472.3981 443.2974 505.2516 11.64_223.0582m/z 223.0582 11.64 10623.0699 9895.5455 12007.2370 10076.2005 11438.8573 10094.9701 11.64_340.1596m/z 340.1596 11.64 1462.5927 1374.7910 1470.4574 1271.0266 1279.6251 1389.1678 11.65_193.1236m/z 193.1236 11.65 1136.9075 1088.8260 1133.6654 1051.3044 1061.5170 1116.7635 11.65_208.1459n 209.1532 11.65 18871.2056 17931.1962 19127.6131 17853.5022 18823.1409 18303.1143 11.65_287.1201m/z 287.1201 11.65 1272.7865 1188.6303 1167.4260 1045.7567 1194.6825 1080.6796 11.65_615.2426m/z 615.2426 11.65 297.2908 256.7639 276.0461 224.7199 251.5668 212.2879 11.66_212.1347n 235.1313 11.66 4500.4005 4388.4858 4912.8115 4171.9249 4569.8191 4343.2159 11.66_734.3935m/z 734.3935 11.66 142.7269 199.2333 104.5755 190.5888 148.3186 206.1296 11.66_734.6440m/z 734.6440 11.66 311.9809 389.2644 319.7294 408.4201 362.5590 511.2257 11.66_734.8955m/z 734.8955 11.66 207.8010 254.3970 59.4708 335.9905 234.0867 334.8204 11.68_323.1469m/z 323.1469 11.68 34100.5507 33319.0167 35885.7600 33898.4954 34704.7817 35069.8678 11.69_640.3660m/z 640.3660 11.69 450.5386 474.1165 495.6543 508.0412 454.5084 435.4945 11.70_286.0874m/z 286.0874 11.70 80.8074 61.7755 101.3796 83.4390 71.1156 103.7191 11.70_404.2715n 427.2649 11.70 4988.7934 4740.3957 5185.9568 4754.3880 5126.0608 5034.3490 11.70_807.3533m/z 807.3533 11.70 251.4291 264.5844 209.5960 253.0853 241.9778 225.1187 11.71_337.1672m/z 337.1672 11.71 897.9823 883.1568 937.6246 878.2036 879.8935 939.4155 11.71_788.3809m/z 788.3809 11.71 752.9870 656.1020 595.7998 663.9315 615.2970 661.1171 11.71_788.8832m/z 788.8832 11.71 464.2779 402.7478 398.7598 423.8470 370.7418 416.9001 11.71_799.3722m/z 799.3722 11.71 696.9624 735.6398 697.6559 684.1640 730.5126 717.1048 11.71_799.8734m/z 799.8734 11.71 466.5603 458.0076 491.2382 503.8621 514.8417 482.3759 11.71_807.8549m/z 807.8549 11.71 153.5962 209.6357 151.4908 107.4102 131.0114 142.6671 11.74_230.2478m/z 230.2478 11.74 853.4945 759.6718 850.5456 814.9798 842.6913 811.1932 11.75_288.1206m/z 288.1206 11.75 498.6255 312.6900 503.5842 353.4610 502.7603 464.5990 11.75_375.2113m/z 375.2113 11.75 2605.0062 2759.4197 2977.0392 2843.0476 2932.0387 2841.7694 C20H32O5 Grayanotoxin II Grayanotoxin II MEDIUM 11.75_391.1909m/z 391.1909 11.75 1460.2761 1538.4118 1653.2577 1531.6570 1558.6264 1654.8285 11.76_199.0857n 183.0631 11.76 2920.1765 2799.1976 3121.2391 2910.0002 2950.8773 2874.1928 11.76_218.0829n 219.0936 11.76 2036.1723 1916.9152 2177.2624 2014.4126 1968.5660 2021.2793 11.76_247.0642n 248.0669 11.76 767.7964 711.1186 737.8283 633.7080 636.5875 714.1169 11.76_585.2698m/z 585.2698 11.76 1053.2727 1007.9536 1044.1807 883.9053 819.5723 859.0884 C33H36N4O6 Bilirubin Bilirubin 16990 MEDIUM 11.77_447.2920m/z 447.2920 11.77 6081.0058 6013.8323 6220.0796 5732.3115 6016.5512 6063.5118 11.78_263.0580m/z 263.0580 11.78 11629.8762 9977.5203 14515.5724 10877.9497 13139.0326 10758.4785 11.78_348.9911m/z 348.9911 11.78 2206.1819 2126.0057 2415.6570 1976.0360 2312.7317 2217.8538 11.78_350.9877m/z 350.9877 11.78 2106.2681 1947.4164 2100.6989 1797.7254 2117.0641 1961.7234 11.79_290.2692m/z 290.2692 11.79 1125.3998 1110.6784 1148.6073 1086.7424 1100.9145 1126.3177 11.81_259.0949m/z 259.0949 11.81 7239.6309 6974.8230 7543.7164 7089.1626 7436.5948 7379.0309 11.82_245.1486m/z 245.1486 11.82 458.3484 525.4362 668.4775 485.0721 592.2007 443.8610 11.84_169.0654n 170.0964 11.84 3994.3568 4186.8672 4284.6725 4508.2706 4189.0389 4354.6694 11.85_750.6704m/z 750.6704 11.85 1079.3554 1641.0072 788.3254 1642.6941 1419.1926 1592.2408 11.85_750.9219m/z 750.9219 11.85 486.0592 919.3437 417.9030 1030.9912 738.1259 848.2799 11.86_219.1720m/z 219.1720 11.86 908.4647 825.1985 987.3702 790.5942 774.3532 598.4989 11.86_327.1776m/z 327.1776 11.86 4093.5494 3938.8302 4380.4560 4163.3296 4192.5220 4244.8303 11.86_750.1685m/z 750.1685 11.86 765.5368 1486.3820 594.1005 1301.1347 968.1404 1299.6307 11.86_750.4197m/z 750.4197 11.86 1095.2459 1859.6062 666.0430 1822.0451 1603.2218 1644.8125 11.87_181.1185m/z 181.1185 11.87 446.1948 480.9106 493.5229 446.5380 503.0701 490.7754 C9H18O2 Pelargonic acid Pelargonic acid HMDB00847 MEDIUM 11.87_211.1625m/z 211.1625 11.87 624.3379 611.0667 555.1561 588.3825 510.4743 576.4078 11.87_263.1262m/z 263.1262 11.87 3329.7109 3403.7426 3503.1604 3444.3162 3366.7502 3489.3030 C6H8O2 (ñ)-Metalaxyl 6790 MEDIUM 11.87_919.7823m/z 919.7823 11.87 824.1051 4654.2113 5655.3266 5420.7467 6899.0187 6670.9169 11.89_217.1121m/z 217.1121 11.89 2750.8195 2779.9441 2746.5899 2570.6911 2618.6925 2862.3476 11.89_275.1573m/z 275.1573 11.89 1123.3734 1092.8623 1127.8273 1104.5521 1242.1027 1248.1855 11.89_348.1328m/z 348.1328 11.89 317.6821 271.8449 308.8187 284.3263 343.5061 348.1775 11.89_430.3104m/z 430.3104 11.89 699.0737 706.2517 776.1804 722.2727 729.0779 704.0520 11.89_457.2266n 475.1788 11.89 2258.4319 2391.3796 2373.0778 2210.0892 2448.3588 2898.4530 11.89_486.1804m/z 486.1804 11.89 1044.5958 988.0517 891.7932 896.2721 966.3619 1090.5358 11.90_199.6166m/z 199.6166 11.90 292.7812 292.1712 277.3869 260.6762 289.7561 372.2328 11.90_200.1139m/z 200.1139 11.90 210.8892 200.1626 208.5672 183.9804 140.2185 241.1639 C6H14O6 Galactitol Galactitol 16813 MEDIUM 11.90_207.6058m/z 207.6058 11.90 4691.9576 5173.3524 5023.6152 4621.7761 5211.8951 6522.3090 11.90_208.6210m/z 208.6210 11.90 921.9774 958.8843 954.2357 841.2288 932.4172 1181.6448 11.90_215.5927m/z 215.5927 11.90 158.7718 204.1397 180.7800 161.7568 156.3992 239.2979 11.90_216.6127m/z 216.6127 11.90 4644.5806 4645.0968 4631.4539 4250.4975 4698.6999 5469.8964 11.90_236.5932n 219.5899 11.90 482.0412 459.2994 456.9276 406.4416 399.7616 546.6367 11.90_292.2003m/z 292.2003 11.90 1002.9604 1045.5256 1110.1135 1095.9693 1210.1240 1290.2114 11.90_375.2515n 398.2410 11.90 338400.6239 352238.0610 343530.9900 316431.4248 359010.4539 431101.5579 11.90_375.4113n 398.4058 11.90 3569.2552 3711.8786 2883.9004 2427.0814 2812.2914 4125.4978 11.90_421.3167m/z 421.3167 11.90 6713.8255 6825.9239 6688.8730 6012.3907 6603.2895 7512.8742 11.90_423.3228n 407.3002 11.90 3598.0514 3660.5507 3578.7634 3329.1384 3635.1390 4271.7320 11.90_432.1898m/z 432.1898 11.90 833.8644 822.7547 797.9033 729.4313 813.5340 915.2554 11.90_437.2223n 460.2117 11.90 10131.8007 10437.6440 10347.0911 9486.1881 10640.3767 12485.4290 11.90_442.1737m/z 442.1737 11.90 223.7693 174.2515 221.0492 177.8682 191.2292 219.2362 11.90_449.3477m/z 449.3477 11.90 4237.7621 4154.8306 4233.9789 3783.7026 4188.7369 4460.4986 11.90_452.3358n 435.3325 11.90 14549.9648 14860.4094 15026.8668 13741.8978 14948.4660 17912.1671 11.90_483.2318n 484.1771 11.90 1903.2527 1906.8872 1753.6402 1637.8274 1880.8988 2172.2093 11.90_488.1756m/z 488.1756 11.90 787.1975 809.6945 776.8371 700.7111 791.6956 872.0958 11.90_750.5038n 773.4935 11.90 19624.6644 21799.9909 19526.2714 17721.5733 20782.8747 31009.1327 11.92_288.2896m/z 288.2896 11.92 1701.0701 1765.9204 1260.2510 1883.9795 1966.8810 1651.6751 11.93_830.0730m/z 830.0730 11.93 259.0803 2569.3145 3110.9952 3782.8025 3869.3561 3331.5091 11.93_948.3689m/z 948.3689 11.93 8379.8640 22586.8164 26020.6373 26111.8317 28084.9884 28548.9084 11.94_737.6200m/z 737.6200 11.94 1067.5751 4910.8646 5783.5526 5740.6728 6325.5470 6615.8103 11.94_947.9382m/z 947.9382 11.94 1514.0822 9420.4230 11217.7870 11241.4918 12838.4150 12705.6919 11.95_829.6970m/z 829.6970 11.95 7202.6940 15611.1508 17188.5903 16769.5018 18573.4155 19245.4905 11.99_166.0726m/z 166.0726 11.99 109.1262 77.2088 86.2581 40.1225 55.9754 86.5243 11.99_181.0935m/z 181.0935 11.99 628.4750 601.1254 623.9886 604.1944 650.3757 650.1162 C9H15N3O2 Nitrilacarb MEDIUM 11.99_370.0877m/z 370.0877 11.99 847.8456 965.5232 867.2181 838.5561 935.6325 873.3280 12.00_178.0861m/z 178.0861 12.00 308.1719 262.6920 267.2891 238.7945 227.3323 305.6565 12.00_291.1518m/z 291.1518 12.00 2645.4077 2602.6012 2675.2234 2659.6289 2595.2130 2761.0369 12.00_306.1718m/z 306.1718 12.00 473.8281 542.3458 538.9907 488.2853 541.6137 493.4686 12.00_310.1786n 333.1672 12.00 13422.2837 13251.1247 13852.1097 13466.1899 13958.4966 14027.3969 12.00_390.1275m/z 390.1275 12.00 1291.1780 1318.5672 1345.5942 1327.8766 1391.9587 1301.7531 12.00_408.2278m/z 408.2278 12.00 1152.6062 1207.9759 1152.2026 1182.7989 1170.6844 1190.8094 C22H31N3O3 Taziprinone MEDIUM 12.00_458.2159m/z 458.2159 12.00 5315.3254 5530.4901 5629.0620 5540.8177 5658.0667 5502.9677 12.01_180.0806m/z 180.0806 12.01 237.2218 176.7184 191.6099 223.9565 240.7102 163.9729 12.01_206.0884n 207.0920 12.01 2067.4693 2277.6863 2359.2809 2039.4907 2260.9863 2092.3234 12.01_295.2250m/z 295.2250 12.01 5578.4848 5532.9204 5720.5676 5712.0634 5765.0504 5580.2458 12.01_386.1985n 369.1953 12.01 5005.6264 4791.4042 5236.3515 5027.1551 5050.8510 5210.0297 12.01_497.2009n 480.1976 12.01 1482.9893 1448.7703 1469.2304 1375.0003 1418.7918 1362.2925 12.01_500.1774m/z 500.1774 12.01 682.9221 678.5597 651.4597 664.7308 577.5802 623.4950 12.02_353.2296m/z 353.2296 12.02 14389.4173 14718.6950 15527.5945 15263.3912 16020.4924 15582.3681 C20H34O6 Grayanotoxin III MEDIUM 12.04_271.2232n 255.2006 12.04 2398.4865 2360.0484 2335.7461 2419.0859 2367.4088 2407.9578 12.04_309.1937m/z 309.1937 12.04 13770.2602 13460.4528 14231.7161 13769.0439 14075.9633 14342.5659 12.04_415.1569m/z 415.1569 12.04 2340.8483 2356.3301 2404.2582 2370.9496 2392.6960 2310.1144 12.04_426.1652n 409.1619 12.04 3788.5462 3867.1358 3985.3135 3964.4759 3777.4657 4042.5460 12.04_468.1587m/z 468.1587 12.04 312.5973 289.7537 286.4136 318.9377 288.9940 289.6597 12.04_472.1542n 456.1316 12.04 3429.8400 3379.8726 3359.3712 3390.0732 3291.1758 3306.6969 12.04_491.2089m/z 491.2089 12.04 2700.4879 2579.4126 2639.1815 2550.0126 2543.7398 2794.2628 12.04_506.1668m/z 506.1668 12.04 562.2256 563.9681 561.7795 480.6676 537.4871 488.5589 12.05_161.0969m/z 161.0969 12.05 643.6906 582.9705 638.1290 691.5468 677.5748 664.1683 C11H14O2 Methyleugenol Methyleugenol 4918 HIGH 12.05_203.1033m/z 203.1033 12.05 519.7027 517.2198 541.1067 483.2210 502.4395 420.1903 C8H14N2O4 L-Coprine Coprine MEDIUM 12.05_277.1787m/z 277.1787 12.05 6045.4912 5924.3613 6325.0479 6129.6535 6231.8803 6338.4587 C17H26O4 6-Gingerol HIGH 12.05_351.1725m/z 351.1725 12.05 2224.8354 2147.6712 2302.5093 2232.7518 2274.4019 2326.0606 12.05_368.2790m/z 368.2790 12.05 2953.6901 3088.3662 3050.2478 3468.1070 3160.5565 3090.7500 C21H34O4 Carbacyclin HIGH 12.05_497.1815m/z 497.1815 12.05 731.0693 713.7669 659.8035 741.6916 710.9472 822.9236 12.05_640.4994m/z 640.4994 12.05 511.6353 468.9899 478.6920 403.0620 468.2276 336.3835 12.06_192.0941m/z 192.0941 12.06 695.0130 658.9736 729.5160 668.3233 590.5430 502.0844 12.06_211.1376m/z 211.1376 12.06 969.4762 773.5672 916.5474 801.5447 826.5004 677.0275 12.06_219.1728m/z 219.1728 12.06 1369.0809 1347.4343 1519.1189 1376.8145 1189.5301 1113.5315 12.06_450.2735m/z 450.2735 12.06 752.9492 747.3160 889.3502 826.2546 696.8981 584.8087 12.07_243.0955m/z 243.0955 12.07 706.5135 662.8196 668.9738 704.1502 674.3406 661.3230 12.07_283.2387m/z 283.2387 12.07 2159.6403 2204.1650 2232.4292 2305.9790 2179.6273 2704.7426 12.08_331.7447m/z 331.7447 12.08 184.7997 176.8657 181.8767 139.1013 183.8574 133.9348 12.09_273.1089m/z 273.1089 12.09 1115.0909 1051.2120 1101.3400 1108.5534 1089.7124 1116.9219 12.09_344.2794m/z 344.2794 12.09 3605.8246 4017.4802 3649.9661 4548.2363 4020.8601 3957.1226 12.09_357.2248m/z 357.2248 12.09 2716.9213 2770.8426 2916.1705 2970.9927 2866.7679 2932.0388 12.11_307.1808m/z 307.1808 12.11 1991.4966 1999.2579 2008.2901 2066.2492 2037.3798 2185.5797 C20H24N2O2 Quinine Quinine 15854 MEDIUM 12.11_684.5248m/z 684.5248 12.11 594.7136 524.1648 642.1604 599.3773 557.1341 532.1675 12.12_337.1663m/z 337.1663 12.12 1674.9916 1741.1611 1835.5586 1675.5200 1659.8336 1708.7449 12.12_353.2295m/z 353.2295 12.12 23739.4603 24625.9020 24781.1419 25059.2386 24835.0718 26231.0331 C20H34O6 Grayanotoxin III MEDIUM 12.12_384.1610m/z 384.1610 12.12 3900.0147 3810.1326 3929.4818 3789.8920 3869.2387 3877.4668 12.12_386.1979n 369.1946 12.12 8153.1793 7951.7686 8218.0654 7876.4320 7928.5589 8240.8688 12.14_166.0628n 167.0702 12.14 8583.9079 8122.3928 9540.9770 8308.7507 8656.2009 8473.8916 C9H10O3 Ethylparaben HIGH 12.14_195.1013m/z 195.1013 12.14 3282.9865 3076.5647 3595.5725 3174.9257 3294.1419 3173.9041 C11H14O3 Butylparaben HMDB32575 94-26-8 HIGH 12.14_279.0585m/z 279.0585 12.14 3724.5401 3505.5753 3940.5903 3748.0707 3833.5130 3806.8310 12.15_121.0217m/z 121.0217 12.15 2171.6314 2120.9274 2426.0934 2106.3840 2196.4067 2162.0408 12.15_255.1548m/z 255.1548 12.15 3136.4006 3096.8194 3273.9804 3099.1049 3132.2218 3194.7635 12.15_431.2982n 414.2949 12.15 8010.0825 8191.3591 8370.7688 8091.5958 8100.0913 8226.7233 12.15_468.2118m/z 468.2118 12.15 521.4756 454.2734 467.8713 499.0485 476.7667 381.0946 12.15_488.2707m/z 488.2707 12.15 3136.5922 3221.2789 3155.4721 3118.5251 3149.7047 3318.0441 12.15_796.6899m/z 796.6899 12.15 1077.8110 1569.6502 693.2015 1407.1762 1137.6014 1441.4225 12.15_95.0500m/z 95.0500 12.15 534.7061 535.9681 622.5784 529.2851 580.1252 528.7290 C11H18N2O2 "(2E,4E)-2,4-Hexadienoic acid" 38358 MEDIUM 12.16_645.1575m/z 645.1575 12.16 1408.6095 1452.3709 1439.7047 1417.2437 1329.6647 1348.3554 12.16_796.4382m/z 796.4382 12.16 732.8907 1186.9737 440.6595 1201.4606 914.8305 1111.1653 12.16_796.9407m/z 796.9407 12.16 864.5882 1260.4685 541.7276 1287.1097 1116.9955 1400.5624 12.16_797.1915m/z 797.1915 12.16 464.5977 803.6157 310.0417 770.9406 548.2124 771.4278 12.17_227.1601m/z 227.1601 12.17 1422.3803 1232.3613 1423.8807 1336.3270 1278.9789 1396.6897 12.17_289.1372m/z 289.1372 12.17 1813.6292 1787.9878 1893.0893 1797.7994 1853.5216 1832.8811 12.17_375.7722m/z 375.7722 12.17 873.3885 769.4189 810.4178 792.5623 846.2476 747.2362 12.17_551.2224m/z 551.2224 12.17 263.6634 239.0854 259.8054 291.7622 252.8221 273.7722 12.17_728.5527m/z 728.5527 12.17 678.2359 575.6833 676.5889 560.3151 626.6573 580.7895 12.18_288.2900m/z 288.2900 12.18 2755.1030 3068.4335 1960.8966 3271.5397 3360.6734 3014.2551 12.19_175.1116m/z 175.1116 12.19 351.0960 302.8568 368.7572 332.6412 311.7913 249.6108 12.19_223.1331m/z 223.1331 12.19 479.0805 449.6016 292.8454 499.5587 322.7517 329.5159 12.19_225.1250m/z 225.1250 12.19 2606.3357 2362.0937 2656.2640 2475.8458 2482.6787 2293.1220 C14H18O 2-Pentyl-3-phenyl-2-propenal HIGH 12.19_239.1284m/z 239.1284 12.19 1762.6202 1675.1866 1753.4653 1680.5663 1776.4600 1750.9002 12.19_295.2051m/z 295.2051 12.19 16652.6412 15936.4968 16608.8072 15881.6984 16197.8776 16219.4625 C21H28O2 Levonorgestrel 6443 MEDIUM 12.19_317.1727m/z 317.1727 12.19 17641.6389 16266.6491 17647.9733 16485.5701 17449.0563 16847.1165 C17H26O4 6-Gingerol HIGH 12.19_350.1629n 333.1596 12.19 9888.5505 9467.3765 10112.6707 9610.7830 9909.0407 9911.9482 12.19_356.1609n 339.1576 12.19 3547.8593 3330.1321 3575.3781 3431.9942 3443.9475 3474.5835 12.19_380.1313m/z 380.1313 12.19 1159.6339 1030.2454 1075.9912 1016.8114 1042.6188 1036.9247 12.19_391.1507m/z 391.1507 12.19 1221.9949 1163.2180 1243.2438 1093.6777 1121.2448 1157.5633 12.20_172.1689m/z 172.1689 12.20 548.7151 568.5896 625.7826 478.5398 850.5086 986.0444 C10H10O3 4-Decenal MEDIUM 12.20_209.1493m/z 209.1493 12.20 3711.8973 3515.0631 3868.4335 3713.9931 3712.5345 3585.1501 12.20_243.0983m/z 243.0983 12.20 709.4005 582.1006 695.1647 670.6068 748.8668 679.5069 12.21_397.7843m/z 397.7843 12.21 1002.4559 1062.6744 1129.3555 1053.1748 1132.5223 1080.1860 12.22_772.5776m/z 772.5776 12.22 727.5585 590.8887 571.0323 563.2144 536.4651 473.2673 12.23_201.0534m/z 201.0534 12.23 3536.3491 3599.4069 3470.6592 3541.2906 3198.1697 3173.0818 12.23_286.1439m/z 286.1439 12.23 27561.8151 29007.8675 27665.7732 29755.7817 28831.2729 29504.0093 C17H21NO4 Scopolamine 16794 HIGH 12.23_308.1260m/z 308.1260 12.23 22100.4408 23131.4456 21871.3951 23500.2731 22802.1497 23561.3901 C17H19NO3 Morphine Morphine 17303 12.24_593.2616m/z 593.2616 12.24 691.9200 759.7581 681.4460 873.4127 782.8720 761.6931 12.25_211.1632m/z 211.1632 12.25 579.6102 571.9975 509.7197 532.7615 568.0752 510.2818 12.25_420.2942m/z 420.2942 12.25 1848.9961 1812.0139 1839.2891 1914.7667 1954.4415 1929.6645 12.26_252.1341n 253.1413 12.26 3206.4587 3011.2288 3709.9072 3114.3998 3175.9498 2794.4830 12.26_419.7974m/z 419.7974 12.26 1518.5686 1517.5843 1496.9049 1385.6378 1464.7807 1435.7303 12.26_816.6043m/z 816.6043 12.26 384.2498 434.9992 477.4020 391.7217 369.0112 450.5525 12.30_353.2290m/z 353.2290 12.30 17669.4843 17897.6483 18228.6761 18000.8920 17867.0357 18385.2293 C20H34O6 Grayanotoxin III MEDIUM 12.30_369.1944m/z 369.1944 12.30 6088.9518 6194.2574 6388.0558 6160.6043 6227.7162 6168.9011 12.30_430.8219m/z 430.8219 12.30 217.2325 194.2612 225.2192 199.7980 213.6853 247.5864 12.30_441.8098m/z 441.8098 12.30 1508.4809 1448.8170 1630.0318 1511.2750 1588.1123 1435.8613 12.30_683.2550m/z 683.2550 12.30 1788.6995 1873.7787 1721.2671 1703.5524 1731.1165 1721.9624 12.33_302.2140m/z 302.2140 12.33 1183.0876 1252.1793 1241.7234 1357.7397 1201.9912 1115.8102 12.33_314.1396n 337.1624 12.33 3564.9553 3417.0104 3750.7092 3479.9247 3563.9267 3422.9060 12.33_427.2661m/z 427.2661 12.33 5862.1571 5732.9394 6166.6037 5806.4632 6002.0312 6022.2537 12.34_456.3315m/z 456.3315 12.34 1910.4531 1996.3165 2121.6906 2007.8636 1923.8916 1953.9308 12.35_267.1622m/z 267.1622 12.35 1905.5812 1840.2882 1959.1060 1744.4954 1815.1392 1851.3659 12.35_452.8281m/z 452.8281 12.35 211.9773 213.8740 254.4641 248.6499 203.8906 213.7645 12.35_463.8230m/z 463.8230 12.35 1919.5354 1922.5929 2108.5569 1920.7791 1910.4309 1987.5734 12.37_304.2885m/z 304.2885 12.37 816.5451 843.7408 710.9375 848.7998 868.9375 869.1727 12.38_125.0393m/z 125.0393 12.38 1273.7440 1247.4771 1277.7214 1231.8686 1282.3983 1174.3567 12.38_261.1186m/z 261.1186 12.38 716.1656 736.7063 750.0333 690.4957 751.6391 735.9592 12.38_371.2358m/z 371.2358 12.38 4137.4961 4133.2164 4308.0178 4059.4662 4160.4553 4201.2973 12.38_386.2379n 387.2451 12.38 4508.3284 4432.6740 4562.3948 4403.7297 4401.7152 4518.1272 12.39_291.1757m/z 291.1757 12.39 4017.0702 3951.9362 4121.1481 3915.6566 4131.5492 3934.6665 12.39_474.8326m/z 474.8326 12.39 233.0755 193.3400 238.8391 269.7102 269.8541 209.9931 12.39_485.8346m/z 485.8346 12.39 1806.9933 1820.9942 1911.7061 1740.9536 1807.2831 1766.0528 12.39_486.3361m/z 486.3361 12.39 788.0786 859.3458 927.7239 882.9359 932.5752 820.1001 12.39_489.2439m/z 489.2439 12.39 1381.2881 1285.9439 1450.6688 1324.1848 1326.4166 1376.1111 12.39_551.2147m/z 551.2147 12.39 853.2057 913.5697 960.2675 918.8414 865.6225 913.5139 12.40_563.2433m/z 563.2433 12.40 1896.5834 2010.0017 1954.4731 1889.9405 1827.6978 1902.4669 12.40_579.2115m/z 579.2115 12.40 1092.3644 975.7215 1002.6131 944.9039 912.8003 1062.0845 12.40_633.2552m/z 633.2552 12.40 8072.8694 8543.1048 8572.5586 8978.5105 8642.8034 9114.9176 12.41_163.9792m/z 163.9792 12.41 181.8753 238.4241 250.7871 235.0178 109.6385 135.6897 12.41_467.1328m/z 467.1328 12.41 1684.6852 1630.0585 1751.6298 1714.5491 1744.9112 1692.6624 12.42_239.1616m/z 239.1616 12.42 5317.6566 5031.3973 5613.6448 5154.4356 5498.8769 5146.4982 C12H24O3 12-Hydroxydodecanoic acid 12-hydroxy lauric acid HMDB02059 12.42_273.1380m/z 273.1380 12.42 560.3498 562.6427 542.9235 573.5081 589.3585 664.8710 12.42_288.1609m/z 288.1609 12.42 363.9271 354.5748 456.8455 409.1014 417.3161 415.5927 12.42_507.8481m/z 507.8481 12.42 1712.0906 1589.0659 1667.7851 1622.2478 1640.9494 1756.1501 12.42_508.3477m/z 508.3477 12.42 996.7634 890.9477 910.6973 916.9958 892.5224 835.0905 12.42_581.2384m/z 581.2384 12.42 1756.4625 1748.7770 1686.1036 1556.4838 1571.5954 1378.6413 12.42_583.2547m/z 583.2547 12.42 21169.7083 21964.1110 22221.7898 18797.1637 19555.2364 17650.1624 12.42_583.7567m/z 583.7567 12.42 448.8159 479.0401 491.0384 339.7613 406.2056 316.1414 12.42_598.2676n 582.2451 12.42 2277.5115 2284.6785 2188.1740 1936.9286 1957.5960 2169.5231 12.42_630.2684n 613.2651 12.42 4361.3505 4476.2146 4451.7804 3922.8486 3780.4643 3248.5349 12.42_645.2827m/z 645.2827 12.42 2211.6846 2219.3930 2280.0734 1937.4892 2008.0477 1667.9676 12.43_337.1062m/z 337.1062 12.43 8358.3286 7986.2607 8673.4475 8131.4894 8393.0156 8459.8325 C20H18O6 Rotenone 28201 MEDIUM 12.44_149.0582m/z 149.0582 12.44 437.3466 394.4441 401.8584 461.9566 403.6091 381.4524 C9H10O3 Ethylparaben MEDIUM 12.45_253.1421m/z 253.1421 12.45 1548.8699 1541.1463 1583.0930 1497.5490 1579.4147 1642.2206 C12H22O4 Dodecanedioic acid Dodecanedioic acid HMDB00623 MEDIUM 12.45_529.8613m/z 529.8613 12.45 1377.3173 1125.4716 1362.3047 1244.3656 1310.9095 1370.3113 12.46_518.8643m/z 518.8643 12.46 157.4289 159.0102 103.0286 114.1610 116.7656 133.6156 12.48_409.1307m/z 409.1307 12.48 1530.3754 1519.9178 1611.6444 1492.9869 1592.6243 1566.2374 12.49_259.0997m/z 259.0997 12.49 640.6130 625.7661 639.9283 550.9729 592.5039 627.1521 12.49_313.1637m/z 313.1637 12.49 1946.9608 1863.0452 1917.8357 1829.6337 1871.0861 1825.8413 12.49_324.2751n 347.2621 12.49 1828.2750 1706.6067 1713.2714 1513.1175 1731.3467 1667.3871 12.49_551.8745m/z 551.8745 12.49 981.0728 994.7568 1041.7033 961.6285 940.8046 945.0027 12.49_552.3758m/z 552.3758 12.49 527.2335 473.8069 524.9265 472.3150 432.3341 459.1553 12.50_704.2656m/z 704.2656 12.50 312.7147 325.1350 404.5597 370.9294 317.1940 277.1700 12.51_223.1613m/z 223.1613 12.51 4476.5423 4258.5201 4553.8460 3932.5467 4217.0747 4006.1076 C16H20N2 Costaclavine MEDIUM 12.51_225.1333m/z 225.1333 12.51 2959.6268 2636.9008 2683.3528 2378.5713 2659.3698 2493.5733 12.51_239.1596m/z 239.1596 12.51 8435.7530 8079.9959 8683.1342 8000.3705 8430.1586 8154.1093 12.51_505.3334m/z 505.3334 12.51 6426.3810 6372.3911 6662.6336 6288.2425 6460.7298 6720.1316 12.51_885.4305m/z 885.4305 12.51 267.2482 216.1970 180.5097 254.5710 256.7614 192.0035 12.51_885.6823m/z 885.6823 12.51 162.0576 169.9613 236.8555 220.7955 227.2836 240.2932 12.52_197.1156m/z 197.1156 12.52 297.8887 371.2922 292.7259 390.4241 442.2191 548.9596 12.52_573.8867m/z 573.8867 12.52 597.8637 533.0350 614.6723 540.4266 544.4659 565.2508 12.52_574.3883m/z 574.3883 12.52 322.1106 326.3448 318.7726 296.6993 297.5082 266.4221 12.55_251.1590m/z 251.1590 12.55 10209.0862 9504.1948 10370.8598 9836.5910 10180.2998 10257.3327 12.55_595.9003m/z 595.9003 12.55 481.1780 379.9642 425.6393 395.1514 387.9272 420.5422 12.55_596.4013m/z 596.4013 12.55 280.5495 233.7737 245.6515 254.0212 228.7951 270.7613 12.56_207.1707m/z 207.1707 12.56 686.5921 691.6722 754.4944 809.0024 734.3267 875.8665 12.56_273.1124m/z 273.1124 12.56 1272.3474 1270.1491 1371.9885 1335.5864 1300.6832 1355.6249 12.56_275.1621m/z 275.1621 12.56 6179.6351 6967.1798 6679.2305 7205.3986 8353.7217 10005.8698 C17H24O4 Monoisononyl phthalate 68515-53-7 MEDIUM 12.56_357.2030m/z 357.2030 12.56 4274.5616 4385.0833 4421.7425 4449.9593 4188.1360 4517.0455 C22H30O5 Jasmolin II 39114 MEDIUM 12.57_315.1531m/z 315.1531 12.57 1477.4660 1541.0609 1606.6739 1528.4879 1510.5007 1553.9134 12.58_617.9139m/z 617.9139 12.58 253.0912 231.4761 250.3898 229.8663 237.7832 239.6867 12.60_589.2934m/z 589.2934 12.60 896.9171 893.3024 816.6272 856.3291 780.8839 854.6319 12.60_618.4136m/z 618.4136 12.60 120.1730 123.3003 207.0615 134.7597 148.2797 141.9342 12.61_178.9641m/z 178.9641 12.61 231.7973 248.6465 254.1081 240.8789 194.5884 258.9388 12.62_174.1046m/z 174.1046 12.62 253.1031 247.3441 258.3586 376.5742 328.8040 275.0722 12.62_512.2653m/z 512.2653 12.62 3275.0042 3324.3915 3343.4745 3319.2777 3291.1202 3312.1649 12.62_523.2837m/z 523.2837 12.62 2018.2063 2077.7818 2020.1564 2110.9584 1929.6753 2115.2683 12.62_537.2382m/z 537.2382 12.62 881.2803 920.4626 986.6523 966.6915 977.6891 938.0888 12.62_538.2731n 539.2520 12.62 2528.2404 2500.6092 2665.0786 2606.8009 2607.9175 2652.8635 12.62_550.2145m/z 550.2145 12.62 1827.4197 1842.6604 1817.6445 1728.2951 1766.5086 1802.7373 12.62_556.2308m/z 556.2308 12.62 1175.2899 1241.8663 1221.9286 1226.3272 1320.6546 1383.7520 12.62_565.2049m/z 565.2049 12.62 899.7591 914.2051 843.7715 858.3809 848.9731 727.2579 12.64_194.1294n 177.1262 12.64 1263.9202 1144.9771 1129.0350 1172.7873 1049.5753 1130.7674 C12H18O2 Hexylresorcinol HIGH 12.64_233.0923m/z 233.0923 12.64 3017.1554 3005.5584 3107.2480 2846.4270 2892.7100 2923.8537 C12H12N2O3 Phenobarbital Phenobarbital 8069 MEDIUM 12.64_333.2005m/z 333.2005 12.64 5528.4239 5670.8860 5804.1923 5609.9496 5835.7720 5822.0186 12.64_370.2947m/z 370.2947 12.64 4361.5813 4856.8247 4240.3066 5404.7641 4901.2853 4509.1629 12.64_419.2352m/z 419.2352 12.64 3350.0012 3610.8483 3557.8303 3792.5335 3846.5280 3755.4064 12.64_591.3086m/z 591.3086 12.64 1963.1322 1990.5499 2182.8120 1981.4310 2031.3188 2173.8496 12.67_243.6300m/z 243.6300 12.67 106.5279 146.2608 106.0790 129.1491 91.8122 95.2990 12.67_448.3044m/z 448.3044 12.67 1312.7748 1322.8181 1321.6738 1301.3267 1354.8540 1358.2225 12.67_492.2599m/z 492.2599 12.67 401.1225 402.6521 361.3037 373.0497 398.6360 457.8621 12.68_357.2099n 375.2126 12.68 17536.9672 18022.9281 18107.2960 18109.4894 17897.1767 18192.7800 12.68_529.2043m/z 529.2043 12.68 2159.9842 2165.3278 2173.4366 2159.8312 2114.2581 2273.3390 12.68_591.1926m/z 591.1926 12.68 1191.0371 1153.3436 982.7102 1024.7950 1056.7350 1151.8556 12.69_141.1276m/z 141.1276 12.69 349.7824 390.8696 356.0917 273.3718 331.7398 368.0013 C9H18O2 Pelargonic acid Pelargonic acid HMDB00847 MEDIUM 12.69_181.1555m/z 181.1555 12.69 217.0633 183.4519 279.8153 205.2798 212.8078 235.9751 C11H14O4 "3,7-Dimethyl-3-octanol" MEDIUM 12.69_213.1141m/z 213.1141 12.69 1019.1740 1066.5081 1048.0001 984.6607 925.3286 1145.4244 12.69_214.0869n 197.0836 12.69 7042.4136 7429.8243 7653.9698 6488.3520 7153.7819 7387.6019 C8H14N4OS Metribuzin MEDIUM 12.69_257.0997m/z 257.0997 12.69 1379.2197 1451.5680 1406.7031 1215.7490 1304.4863 1230.2703 12.69_270.1537n 253.1504 12.69 7761.1805 7677.6356 7995.0909 7268.8586 7561.1135 7931.0320 12.69_273.1032m/z 273.1032 12.69 808.2670 809.0641 783.1240 738.5149 770.8176 816.2609 12.69_285.1263m/z 285.1263 12.69 1771.1298 1779.2468 1784.9656 1740.4613 1698.4506 1732.0923 12.70_220.0435n 243.0924 12.70 2226.0610 2550.8761 2624.4083 2231.4619 2394.4781 2365.2993 12.70_291.1799m/z 291.1799 12.70 1570.4829 1531.3326 1946.5956 1859.6031 1927.0053 1859.6975 12.70_302.3050m/z 302.3050 12.70 1712.1074 1540.5294 1583.4059 1632.6241 1637.8689 1710.0401 C18H39NO2 Sphinganine Sphinganine HMDB00269 HIGH 12.72_574.2404m/z 574.2404 12.72 438.2415 442.2538 405.2953 461.4786 404.2808 466.6620 12.73_432.2978m/z 432.2978 12.73 658.6015 712.9545 755.5707 679.1699 785.0142 798.6387 12.75_209.1519m/z 209.1519 12.75 7213.3576 7312.8159 8113.7627 7875.9821 8035.6498 8198.6718 12.75_554.2394m/z 554.2394 12.75 2528.2076 2591.3038 2470.5507 2687.4603 2600.4842 2645.9011 12.75_664.2936m/z 664.2936 12.75 519.8555 459.9454 390.3627 344.9577 341.3506 417.7458 12.76_181.0414m/z 181.0414 12.76 1159.2128 1151.8949 1234.8054 1163.6653 1225.3785 1264.3648 12.76_312.2180n 295.2147 12.76 17632.8152 17065.7452 17717.2220 17180.8820 17872.4621 18119.2845 12.76_347.1826m/z 347.1826 12.76 4029.4544 4254.4171 3986.6095 4402.3116 4525.5331 5034.0943 12.76_353.2291m/z 353.2291 12.76 57192.3554 57097.4097 58784.5245 57912.6245 59486.7578 60051.6297 C20H34O6 Grayanotoxin III MEDIUM 12.76_384.1694m/z 384.1694 12.76 5677.4468 5667.3233 5752.2722 5666.7951 5714.2637 5850.1291 12.76_386.1973n 369.1940 12.76 11684.7141 11315.5668 11550.6155 11618.3829 11612.6131 11615.0700 12.77_153.0539m/z 153.0539 12.77 688.8547 672.1058 652.1955 613.7071 617.6217 691.9710 C8H10O4 Penicillic acid HIGH 12.77_167.0654m/z 167.0654 12.77 523.2672 529.8769 506.0997 484.6586 511.5902 535.1739 12.77_209.1173m/z 209.1173 12.77 11935.5219 12169.3779 12208.0701 11918.7601 12165.8910 12651.0855 12.77_240.1386n 223.1353 12.77 6357.2919 6118.5396 6506.3691 6443.2802 6380.3153 6657.1547 12.77_251.1298m/z 251.1298 12.77 5355.3364 5357.0349 5343.2465 5293.1209 5163.0761 5393.2815 12.77_259.1562m/z 259.1562 12.77 1476.3520 1363.5344 1429.7364 1378.9648 1398.8392 1492.7509 12.77_291.1210m/z 291.1210 12.77 12999.0073 13059.5598 14067.3250 13807.2796 14166.7261 14022.1565 C16H20O6 Mono-2-(carboxymethyl) hexyl phthalate 82975-93-7 HIGH 12.77_324.0887n 307.0854 12.77 5799.7806 5898.0574 6009.8123 5978.7382 6081.7002 6181.7235 12.77_330.1084n 313.1051 12.77 2475.3426 2488.2343 2519.5487 2459.7400 2501.0364 2614.2127 12.77_575.2209m/z 575.2209 12.77 1242.2398 1124.4931 1083.0300 1190.2764 986.1186 968.8877 12.77_579.3681m/z 579.3681 12.77 1944.4165 1808.5438 2108.8079 2022.8611 2170.3578 2234.8507 12.78_233.0879m/z 233.0879 12.78 1033.1794 935.5359 911.9256 934.5821 879.8997 967.5540 C10H11F3N2O Fluometuron MEDIUM 12.78_303.1504n 287.1278 12.78 15262.3224 14836.2624 15145.7710 14703.2668 14991.1797 15211.5142 12.79_166.0263n 189.0157 12.79 2357.1251 2429.0365 2305.9230 2405.1399 2390.5427 2439.3397 12.79_199.1933n 200.2006 12.79 55899.6895 53851.6662 56578.0282 53726.8792 56139.8648 55789.5193 12.80_797.9269m/z 797.9269 12.80 821.5429 1202.9734 569.2437 1197.2436 934.2784 1170.6255 12.80_798.4259m/z 798.4259 12.80 709.7901 924.6245 452.7537 978.9317 735.6857 1007.0697 12.80_801.9190m/z 801.9190 12.80 1133.8583 1566.2171 683.0220 1627.7163 1246.2924 1764.3084 12.80_802.1708m/z 802.1708 12.80 1097.1687 1707.7378 729.3618 1787.1751 1334.5569 1606.0066 12.80_802.4201m/z 802.4201 12.80 927.3268 1122.2499 492.0775 1267.0397 1007.2743 1146.1106 12.80_806.1628m/z 806.1628 12.80 110.6614 254.6674 103.1054 231.0172 140.3880 254.2423 12.80_807.9106m/z 807.9106 12.80 600.2331 848.6308 290.0911 885.2611 716.4548 763.8381 12.80_808.1614m/z 808.1614 12.80 609.5462 830.0944 369.3726 853.8916 659.5591 696.4102 12.80_808.4107m/z 808.4107 12.80 383.0981 706.9641 239.6867 611.6607 429.2618 542.6227 12.80_814.6793n 798.6765 12.80 791.2451 1060.2383 472.0621 1164.5121 790.5399 1055.7223 12.80_824.6645n 808.6612 12.80 540.4124 788.7715 209.0303 662.4282 526.5918 848.1094 12.82_357.1991m/z 357.1991 12.82 8051.0672 8005.3987 8131.0234 8104.0404 8167.9607 8244.6377 12.82_534.2923m/z 534.2923 12.82 585.6738 600.2391 534.4831 686.9411 617.6030 501.7980 12.82_798.1780m/z 798.1780 12.82 852.3630 1105.8777 509.3460 1248.2016 991.6381 1151.4966 12.82_801.6679m/z 801.6679 12.82 1151.9410 1550.7743 762.6461 1701.3617 1204.1899 1419.3294 12.82_803.9215m/z 803.9215 12.82 120.6007 274.7551 66.0703 279.1150 152.1962 265.6009 12.83_458.3463m/z 458.3463 12.83 1906.2907 1951.5241 2115.2430 2186.1604 2007.3975 1963.0043 12.84_249.1801m/z 249.1801 12.84 3823.1321 3730.1407 3579.2675 3997.1304 4344.4319 4769.0368 12.85_225.1728m/z 225.1728 12.85 1249.9092 1120.3137 1074.4478 1122.1948 1244.3536 1184.2038 12.85_243.6296m/z 243.6296 12.85 236.2042 215.0889 224.2528 214.0434 249.3518 255.9122 12.85_252.6356m/z 252.6356 12.85 277.5298 206.0524 235.9864 247.8151 298.0568 305.7990 12.85_430.2941m/z 430.2941 12.85 4603.9428 4645.9158 4712.0854 4828.7653 4648.9057 4760.5669 12.85_465.3081n 488.2935 12.85 13554.3660 13537.1630 13551.5516 13844.3221 13510.5303 13845.3648 12.85_473.2462n 456.2430 12.85 2072.4371 2129.8810 1975.6353 1947.1172 2091.6139 2125.6559 12.85_504.2624m/z 504.2624 12.85 4899.7913 5104.1073 4905.2657 5028.6017 4895.0150 5137.9737 12.85_509.2679n 510.2751 12.85 4998.6830 4562.4551 4902.4710 4795.3102 4685.0232 4721.2647 12.85_528.2293m/z 528.2293 12.85 1199.7396 1107.2946 1099.0051 1209.9965 1148.4069 1215.9527 12.85_530.2315m/z 530.2315 12.85 1135.5805 950.0892 998.3625 977.7126 1010.3481 879.9236 12.85_664.2963m/z 664.2963 12.85 1157.7787 1219.8415 1166.4011 1159.6617 1117.6366 1202.7820 12.85_679.2608m/z 679.2608 12.85 400.5537 371.2879 382.9242 422.4811 341.9091 394.3674 12.86_280.2620m/z 280.2620 12.86 737.7942 804.5498 668.3858 865.3251 742.4105 746.0554 12.87_232.8514m/z 232.8514 12.87 133.4552 115.8257 123.0898 89.7434 103.8363 123.3277 12.87_237.1441m/z 237.1441 12.87 5834.3787 5467.5984 5785.4747 5829.0145 5655.0826 5708.3573 12.87_272.1116m/z 272.1116 12.87 118.3248 136.3996 88.2571 133.3903 140.7306 138.1696 12.88_269.1543m/z 269.1543 12.88 5631.9280 5650.4666 5715.4201 5555.5886 5815.3824 6107.3791 C18H20O2 Diethylstilbestrol Diethylstilbestrol 4531 MEDIUM 12.90_459.2446m/z 459.2446 12.90 1591.9616 1671.2625 1806.6756 1794.3704 1736.9191 1601.4760 12.90_591.3077m/z 591.3077 12.90 1509.1307 1355.5380 1414.7636 1476.6634 1474.1456 1452.8421 12.90_653.2795m/z 653.2795 12.90 400.0217 375.6162 394.4776 326.0937 378.5881 377.6414 12.91_259.1026m/z 259.1026 12.91 2280.3948 2151.9612 2256.8890 2158.5853 2238.9980 2366.6209 C14H17N3O3 Imazapic MEDIUM 12.91_265.1756m/z 265.1756 12.91 10983.4923 10430.5928 10529.0350 10122.0322 10636.8563 10704.7126 12.91_294.0451n 317.0541 12.91 1587.3795 1628.4728 1447.1325 1541.2500 1455.4177 1470.0692 12.91_315.1541m/z 315.1541 12.91 3810.3594 3645.9005 3666.9221 3631.3232 3577.0314 3745.0246 C17H24O4 Monoisononyl phthalate MEDIUM 12.92_161.1322m/z 161.1322 12.92 2621.8196 2687.0465 2702.2269 2803.4528 2818.8010 2833.5195 C12H18O Propofol Propofol 8495 HIGH 12.92_193.0314n 176.0281 12.92 934.9688 948.8125 992.0886 999.7018 1005.3148 995.5979 12.92_202.0397m/z 202.0397 12.92 598.8051 547.6064 507.6708 561.1738 487.6406 501.5541 12.92_218.0744m/z 218.0744 12.92 1894.1338 1868.3726 1862.5518 1890.0769 1700.1729 1791.7879 12.92_225.1146m/z 225.1146 12.92 622.6810 633.1506 617.8402 587.9186 673.5502 640.0446 12.92_229.1162m/z 229.1162 12.92 7337.7674 6808.4929 7045.3776 6923.8514 7138.5492 6938.8229 C10H13NO4 Methyldopa Methyldopa 61058 MEDIUM 12.92_239.1303m/z 239.1303 12.92 2192.8368 2160.4300 2191.3216 2180.7622 2092.0928 2112.1217 12.92_256.2187n 279.1369 12.92 1999.1181 1944.2372 1995.1855 2085.6223 2050.1059 2030.1800 12.92_261.1274m/z 261.1274 12.92 3769.5009 3651.1931 3816.1146 3621.1767 3776.6487 3716.6811 12.92_262.0854n 245.0822 12.92 4220.7007 4372.8050 4318.5601 4394.5979 4421.2281 4483.0231 12.92_274.1134n 275.1206 12.92 5617.8518 5391.5441 5459.1571 5249.9809 5525.9604 5494.5509 12.92_277.1098m/z 277.1098 12.92 1689.3396 1647.3335 1674.5917 1692.0515 1734.9963 1701.8040 12.92_286.1153m/z 286.1153 12.92 370.5687 216.3059 314.7534 226.0375 303.0237 260.3784 12.92_291.0904m/z 291.0904 12.92 11978.5525 12210.6817 12066.3596 12154.8381 12177.4586 12419.9871 C13H16N4O3S Mecarbinzid 82083 MEDIUM 12.92_307.0681m/z 307.0681 12.92 937.6089 970.4344 911.3257 988.9718 876.5186 885.5226 12.92_315.0572m/z 315.0572 12.92 1555.7073 1596.0760 1513.9584 1612.9577 1621.5364 1519.2475 C11H11F3N2O4 2-hydroxyflutamide MEDIUM 12.92_318.0814n 319.0548 12.92 1092.1410 1054.7015 951.0546 1016.3826 1016.0711 1030.9837 12.92_435.2285m/z 435.2285 12.92 2195.9412 2038.4931 1950.6441 1996.9681 1816.6383 2081.7640 12.92_468.2179n 469.2271 12.92 5985.3734 5852.5903 5530.8020 5622.0032 5823.7089 5827.0113 12.92_535.2846m/z 535.2846 12.92 2679.6668 2674.8577 2656.4522 2687.5825 2634.9925 2672.3022 12.93_214.2525m/z 214.2525 12.93 465.9035 436.1203 428.6536 435.2245 431.4404 449.3134 12.93_552.2579m/z 552.2579 12.93 944.4596 845.3773 755.7111 883.3199 811.1773 810.0569 12.94_359.2236m/z 359.2236 12.94 23794.2496 23862.4085 24605.3894 24168.0593 24613.4258 24589.8137 12.94_391.2093n 392.2165 12.94 5729.2722 5640.0652 5489.8493 5420.1613 5519.4053 6088.8542 12.94_591.2420n 574.2388 12.94 1751.2923 1578.5203 1641.4091 1365.9749 1509.4950 1330.9047 12.94_596.2044m/z 596.2044 12.94 329.0917 296.4130 257.1749 178.8890 262.6253 245.2980 12.95_316.3206m/z 316.3206 12.95 1813.5896 1858.8685 1476.5696 1982.4043 2234.1757 1944.2041 12.95_718.2787m/z 718.2787 12.95 384.0896 424.3521 328.6589 389.4692 483.7195 275.1868 12.96_227.1222n 211.0997 12.96 3764.5579 3687.6332 4180.5708 3982.7909 4031.0672 3990.0935 12.96_243.1286m/z 243.1286 12.96 1958.2488 1864.1026 1939.8086 1813.4255 1911.8967 1853.7613 12.96_257.1062m/z 257.1062 12.96 3880.5536 3718.1697 3878.0197 3633.3084 3850.1856 3668.9559 12.96_267.1557m/z 267.1557 12.96 2737.3530 2667.5228 2888.7604 2685.7850 2740.1405 2854.9595 C7H8N4O3 "1,11-Undecanedicarboxylic acid" Tridecanedioic acid HMDB02327 MEDIUM 12.97_152.0619m/z 152.0619 12.97 1076.1520 1075.8821 1152.7195 961.7646 980.1029 1031.8975 12.97_167.0837m/z 167.0837 12.97 2223.6974 2069.9320 2120.6946 1956.5960 1915.2141 1939.4227 12.97_195.0792m/z 195.0792 12.97 1397.9171 1313.8813 1394.1081 1375.5708 1359.6225 1417.5253 C14H12O2 Benzoin Benzoin 17682 MEDIUM 12.97_223.0753m/z 223.0753 12.97 3706.3810 3734.9295 3918.2280 3794.1604 3758.6041 3753.3631 C13H24O4 "1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione" MEDIUM 12.97_247.1229m/z 247.1229 12.97 2596.8740 2602.7225 2644.0953 2627.0979 2627.9315 2540.7144 12.97_251.0755m/z 251.0755 12.97 7838.8577 7651.8718 7759.8541 7402.6505 7211.3775 7173.4267 12.97_347.1252m/z 347.1252 12.97 49516.1951 48789.7233 49215.6360 47704.8891 45629.8842 43738.2864 12.97_633.3021m/z 633.3021 12.97 2963.4171 2850.5528 2805.1342 2656.5988 2586.3254 2821.1780 12.97_671.2666m/z 671.2666 12.97 617.3970 650.4220 654.5804 676.0609 553.4896 511.0927 12.98_250.1917n 273.1718 12.98 1911.0763 1681.8290 1857.1365 1653.8084 1726.0886 1955.4026 12.98_265.2031n 283.1838 12.98 19654.2138 20961.6295 19798.7655 21813.7153 24593.3484 28277.7954 13.00_161.0963m/z 161.0963 13.00 1263.7692 1050.6373 1144.2702 1007.1283 1163.0167 1192.0653 C11H14O2 Methyleugenol Methyleugenol 4918 HIGH 13.00_165.0612m/z 165.0612 13.00 2604.0580 2432.6030 2492.2886 2324.6364 2272.2539 2388.0773 13.00_220.1087n 221.1176 13.00 7179.8960 6526.0176 6955.6289 6314.1305 6660.5603 7161.9238 13.00_241.1738m/z 241.1738 13.00 1631.6906 1500.8304 1874.9703 1521.8879 1634.2605 1444.3670 13.01_175.1115m/z 175.1115 13.01 308.8502 308.8719 330.9256 255.7120 305.7530 280.8479 13.01_207.1112m/z 207.1112 13.01 429.1642 275.9764 451.0122 358.7682 255.2699 277.7937 13.01_299.1631m/z 299.1631 13.01 41369.4833 38169.3125 40801.8158 37932.0692 39946.0035 41909.3874 C17H24O3 Onchidal MEDIUM 13.01_626.3518m/z 626.3518 13.01 2746.9955 2718.8956 2685.1127 2637.9726 2470.3402 2609.7727 13.01_664.2929m/z 664.2929 13.01 1814.8540 1679.4188 1664.3551 1684.6989 1641.2690 1564.1905 13.01_670.3108m/z 670.3108 13.01 811.2204 797.5446 666.5975 670.2687 601.1064 657.9680 13.01_679.2686m/z 679.2686 13.01 1444.9486 1309.1516 1110.4829 1124.1714 1037.7263 1255.5660 13.02_139.9248m/z 139.9248 13.02 265.9778 208.3600 203.5031 129.0943 232.5715 199.8211 13.02_178.0791m/z 178.0791 13.02 1105.2312 1013.2786 1046.8046 1017.9205 998.5767 987.0485 13.02_209.1485m/z 209.1485 13.02 2875.2158 2892.7430 2936.6157 2640.4774 2896.4173 2798.3365 13.02_233.0607m/z 233.0607 13.02 1715.2506 1671.5827 1670.7965 1579.6499 1559.3351 1411.7920 13.02_279.0997m/z 279.0997 13.02 7508.8049 7343.3322 7382.5374 7134.9453 6861.2715 6966.4895 13.02_325.1451m/z 325.1451 13.02 3965.9189 3812.4129 3977.0239 3711.2177 3702.4535 3684.5926 13.02_341.1978m/z 341.1978 13.02 9616.2071 9365.3582 9447.8729 9295.4870 9953.2746 14340.2932 13.02_386.1392n 409.1017 13.02 8493.5572 8394.6685 8167.5122 8346.4070 8316.7907 8305.4676 13.02_409.2466m/z 409.2466 13.02 6620.8933 6878.1789 6648.9459 6846.8980 6825.6757 6794.9047 13.02_411.8013m/z 411.8013 13.02 237.4174 207.0273 245.2075 186.7017 184.7311 225.7184 13.02_431.2429m/z 431.2429 13.02 3358.3743 3215.0613 3270.8638 3114.2882 3033.1181 3182.6330 13.04_275.6443m/z 275.6443 13.04 556.3086 585.0506 634.3444 657.9331 631.3559 527.3151 13.04_357.2761m/z 357.2761 13.04 1749.6876 1669.9417 1796.9566 1630.9587 1730.1891 1785.5134 13.04_477.2470m/z 477.2470 13.04 1108.3368 997.4211 1098.7812 964.3889 1038.6337 1097.9165 13.04_511.3252n 512.3325 13.04 6524.6115 7531.3860 8046.2863 8165.5791 7514.6182 6836.7555 13.05_225.1728m/z 225.1728 13.05 3493.7009 2911.1962 3214.9379 2894.1390 3137.4845 2941.0215 13.05_607.2995m/z 607.2995 13.05 857.5769 797.0122 740.9748 725.2445 650.6061 649.0291 13.06_289.1630m/z 289.1630 13.06 5200.0822 4871.1375 5182.9660 4689.0510 5025.7032 5085.5966 13.06_433.8174m/z 433.8174 13.06 458.5525 365.2456 369.8570 331.8745 394.9389 362.9092 13.06_637.3503m/z 637.3503 13.06 2162.1429 2137.1895 2213.7797 2052.5863 2057.0495 2100.5561 13.06_653.3188m/z 653.3188 13.06 1510.6801 1372.6254 1352.5859 1304.6849 1274.8715 1354.5891 13.06_668.2811m/z 668.2811 13.06 426.7032 419.1365 415.6911 415.8293 407.1467 388.0757 13.06_676.3367n 659.3334 13.06 1198.8256 974.2181 1142.9943 1048.0389 1028.6653 1025.8459 13.07_430.8873m/z 430.8873 13.07 1642.3967 1420.9991 1464.2500 1304.1143 1443.6848 1381.3387 13.07_451.8814n 452.8698 13.07 8031.9049 7093.5109 7854.0644 6969.1137 7175.5690 7120.0458 13.07_454.8669m/z 454.8669 13.07 6118.3116 5497.1038 6011.2689 5389.7672 5705.9553 5457.2254 13.07_456.8635m/z 456.8635 13.07 2750.9672 2308.0899 2631.5227 2210.0321 2375.9792 2239.1289 13.07_458.8569m/z 458.8569 13.07 526.4607 450.4681 528.4864 389.1385 453.5090 437.2065 13.07_514.8385m/z 514.8385 13.07 357.4493 263.8191 291.4126 255.5179 248.9847 198.4202 13.07_533.8382n 516.8349 13.07 358.8385 225.2847 306.8530 263.1064 207.4914 183.1415 13.07_535.3238n 558.3151 13.07 2015.5279 2410.6012 2333.9326 2576.0460 2482.7842 2361.2617 13.07_535.8357n 518.8324 13.07 200.7723 154.8844 168.3543 99.1819 124.2486 99.9626 13.07_540.8042m/z 540.8042 13.07 216.2423 164.1985 180.6802 171.5131 149.0845 147.4266 13.09_210.1192n 194.0967 13.09 3379.0718 2998.2116 3118.3154 3046.2595 2914.9702 2952.7844 13.09_285.1955m/z 285.1955 13.09 945.7618 947.3017 943.9042 895.7610 928.3358 1031.9831 13.09_427.8824n 450.8725 13.09 4709.1481 4077.3159 4399.1749 4028.9062 4107.5689 4053.1440 13.09_538.8048m/z 538.8048 13.09 219.4421 144.0806 139.7546 117.3950 189.5813 133.6203 13.10_315.1558m/z 315.1558 13.10 1498.2193 1392.0225 1517.3224 1336.5699 1474.6482 1487.0609 C17H24O4 Monoisononyl phthalate 68515-53-7 MEDIUM 13.10_456.3093m/z 456.3093 13.10 267.1880 220.9492 202.7506 115.3741 156.0510 187.4864 13.11_234.1595m/z 234.1595 13.11 163.1266 144.1998 94.2621 92.1241 69.1849 118.6933 13.11_256.1441m/z 256.1441 13.11 638.8997 513.0260 575.6520 522.4785 630.8684 651.4153 13.11_359.2204m/z 359.2204 13.11 8009.6736 8696.4181 8658.3064 8861.7837 8876.3719 9055.0983 13.12_372.3093m/z 372.3093 13.12 1138.8636 1329.0208 1032.1568 1435.9894 1316.6590 1105.4520 13.12_429.2797m/z 429.2797 13.12 6544.7613 6115.3498 6483.7626 6132.2449 6306.2971 6438.9937 13.14_307.0968m/z 307.0968 13.14 809.4201 863.5850 759.7182 675.2334 748.6381 765.5386 13.14_499.8460m/z 499.8460 13.14 352.8924 288.5930 272.7142 219.5229 273.1637 259.0940 13.15_312.1577m/z 312.1577 13.15 5323.9129 5354.7074 5167.0941 5111.1728 5205.4448 5120.8557 13.16_316.3200m/z 316.3200 13.16 3304.1814 3539.5565 2753.5544 3607.5216 4236.1105 3815.0313 13.16_521.8619m/z 521.8619 13.16 251.6602 199.0041 204.8812 182.8591 213.5764 185.0938 13.18_357.2772m/z 357.2772 13.18 908.3829 873.0981 881.1165 880.4613 868.8609 762.3980 13.18_477.2428m/z 477.2428 13.18 1306.8600 1155.3169 1094.1102 1044.0603 1132.0467 1152.7193 13.19_543.8743m/z 543.8743 13.19 198.9953 171.0274 202.9749 126.9720 179.8851 130.7737 13.19_599.2473m/z 599.2473 13.19 2366.9331 2300.3385 2239.5798 2253.3882 2066.0291 2210.1997 13.19_614.2357n 615.2430 13.19 17043.0077 16493.2355 16068.2146 16293.6139 15644.9987 15755.0067 13.19_681.2661m/z 681.2661 13.19 501.1166 467.1664 512.4840 485.1164 497.5754 392.0142 13.21_221.1198m/z 221.1198 13.21 1355.4839 1328.5144 1420.9105 1365.3421 1433.6434 1343.8153 13.22_152.0621m/z 152.0621 13.22 863.0420 714.9526 740.2044 714.5882 680.4413 608.1878 13.22_326.0704n 349.0595 13.22 83655.4117 84119.6103 87924.4964 87168.7848 85186.1124 80138.7698 C18H15O4P triphenyl phosphate 115-86-6 HIGH 13.22_411.0298m/z 411.0298 13.22 2397.4743 2100.4582 2298.4246 2173.9843 2146.1932 1921.0274 13.22_675.1301m/z 675.1301 13.22 1545.1264 1954.6914 1956.1982 2178.6634 1917.5471 1706.1493 13.24_161.0960m/z 161.0960 13.24 948.5650 900.0322 876.8327 865.3170 874.3026 884.6676 C11H14O2 Methyleugenol Methyleugenol 4918 MEDIUM 13.24_203.1036m/z 203.1036 13.24 666.3792 585.1111 643.2060 592.6585 655.4242 584.7551 C7H7NO2 2-Cyclopentylphenyl methylcarbamate MEDIUM 13.24_277.1773m/z 277.1773 13.24 4819.0997 4734.4067 4993.1951 4857.3248 4939.3821 5005.9845 13.24_316.1643n 317.1650 13.24 38445.0226 37100.7770 40557.8136 37975.5773 39652.5766 39850.8428 13.26_278.6388m/z 278.6388 13.26 1231.3658 1314.8191 1275.0032 1550.5866 1375.9916 1247.0373 13.26_432.2727m/z 432.2727 13.26 140.0442 152.1510 179.2850 165.7213 197.1483 178.2551 13.26_499.2341m/z 499.2341 13.26 1061.5754 1042.0037 1043.0698 1234.1455 1177.9394 1097.5712 13.26_535.3253n 558.3147 13.26 12946.6136 15355.6861 14455.6524 17528.1796 15920.3241 14993.2805 13.26_562.2859m/z 562.2859 13.26 459.6528 419.9689 427.3024 456.0054 521.1651 409.4045 13.27_325.2077m/z 325.2077 13.27 5621.1462 5308.8264 5667.1040 5386.8585 5458.6337 5544.6530 13.27_332.3242m/z 332.3242 13.27 572.3554 703.7377 540.7745 543.8156 605.7205 753.0934 13.29_179.1048m/z 179.1048 13.29 2557.1743 2263.6641 2568.7034 2371.1981 2208.0175 2382.4319 C9H16O2 4-Hydroxynonenal 58968 MEDIUM 13.29_233.1494m/z 233.1494 13.29 737.7704 666.5945 695.2040 665.4064 619.2797 621.5858 C15H23NO2 3-tert-Butylphenyl sec-butylcarbamate MEDIUM 13.29_234.1608n 235.1681 13.29 109232.0532 97627.2281 104992.3939 98883.7415 96362.4444 102386.8513 C15H22O2 Scirpene HIGH 13.29_319.1222m/z 319.1222 13.29 3893.0759 3657.1407 3957.7120 3600.2083 3652.8466 3772.3453 13.29_345.0899m/z 345.0899 13.29 1462.7569 1398.5471 1354.1130 1297.7019 1258.8595 1352.5905 C16H16CoN2O2 Salcomine MEDIUM 13.29_385.2255m/z 385.2255 13.29 9798.6162 9586.1065 10077.1995 9904.1880 9958.6888 10021.4983 13.29_422.3199m/z 422.3199 13.29 545.6955 602.3389 482.6653 665.1424 571.9514 579.1786 13.29_665.3426m/z 665.3426 13.29 562.0926 574.0055 535.3699 522.5632 461.6123 527.5593 13.31_388.2415n 411.2347 13.31 4412.2954 4219.3990 3914.3798 3894.5112 4040.4779 4142.1352 13.32_263.1830m/z 263.1830 13.32 4393.0549 3923.1372 4168.2451 3812.8972 4021.5938 4035.0608 13.33_363.1478m/z 363.1478 13.33 3497.5570 3142.5551 3288.7052 3043.7644 3165.2073 3179.9959 13.36_358.1898n 359.2247 13.36 19668.6742 19803.5775 20549.2960 19866.1958 20145.7161 20430.1681 13.36_965.8277m/z 965.8277 13.36 1332.8624 2159.3469 1853.9986 3322.1170 2520.5153 2599.8146 13.36_980.1651m/z 980.1651 13.36 839.4281 3476.1988 2772.0684 4183.2109 3490.8886 2503.0785 13.37_718.2685m/z 718.2685 13.37 3412.6567 3063.6232 2907.0920 2763.5711 3060.5318 2525.3493 13.37_718.7792m/z 718.7792 13.37 664.7945 678.0297 627.3314 531.1951 713.9387 531.9126 13.38_207.1128m/z 207.1128 13.38 279.4461 208.8493 218.7741 174.6991 127.2192 216.3391 13.38_347.1294m/z 347.1294 13.38 4064.5552 3745.0958 4073.9241 3611.1628 3892.4948 3938.2664 13.40_219.1724m/z 219.1724 13.40 1031.9820 1131.8293 904.5989 1095.5408 1383.2333 1630.9277 13.40_313.1621m/z 313.1621 13.40 3547.4990 3410.4933 3803.7811 3520.4552 3441.3352 3581.5485 13.41_299.2810n 282.2777 13.41 5438.7303 6236.9876 5503.9545 6467.7376 6170.6523 5719.5425 13.42_261.1270m/z 261.1270 13.42 759.8317 684.3164 672.3537 606.4249 648.0209 712.8521 13.42_683.3134m/z 683.3134 13.42 394.4065 415.1539 478.7824 428.2062 483.9519 456.8722 13.43_257.1074m/z 257.1074 13.43 1795.2085 1545.6581 1488.2740 1353.3484 1467.9352 1371.8686 13.43_398.3242m/z 398.3242 13.43 1645.8570 1892.3173 1572.2613 2104.4673 1863.0861 1672.7822 13.44_204.9754m/z 204.9754 13.44 3753.8333 3337.2988 3346.6540 3077.1809 3507.5366 3269.9314 13.44_211.0993m/z 211.0993 13.44 693.5495 478.5780 617.4270 506.5948 594.8392 712.0937 C9H17N5S Ametryn 22472 MEDIUM 13.44_229.0084m/z 229.0084 13.44 4566.7032 4035.5833 4164.7504 3688.2936 4012.9225 3876.9601 13.44_231.0028m/z 231.0028 13.44 3668.9338 3180.1130 3272.0772 2971.9141 3118.0186 3078.2536 13.44_235.0079m/z 235.0079 13.44 3348.7732 2981.2895 3142.6763 2728.4231 2989.4809 2908.2368 13.44_243.0234m/z 243.0234 13.44 7970.4103 7140.9627 7354.8724 6497.2845 7120.1650 6938.4413 13.44_276.9486m/z 276.9486 13.44 1816.6695 1678.8001 1616.0337 1350.7387 1531.0336 1586.7293 13.44_315.0973m/z 315.0973 13.44 1560.5503 1310.5025 1318.4044 1144.0400 1190.0125 1206.1525 13.44_331.1062m/z 331.1062 13.44 9354.0130 8500.7113 8869.6031 7909.8566 8547.6282 8445.5648 13.44_335.1166m/z 335.1166 13.44 10071.0243 7432.6689 7181.9307 5730.6095 6242.4489 6025.6760 13.44_336.1290n 320.1064 13.44 8984.1319 7903.5756 8308.3272 7377.0601 7975.0347 7538.1919 13.44_338.1046m/z 338.1046 13.44 10861.8157 9586.5116 10124.9705 9040.0536 9759.2973 9465.9532 13.44_345.1313n 363.1106 13.44 21490.8005 18836.4455 19315.4688 17031.8219 18462.6812 18137.3906 13.44_356.1279n 357.1918 13.44 22297.1177 21220.7413 22282.4846 20803.9451 21504.7456 21445.9102 13.44_387.0769m/z 387.0769 13.44 4595.2486 3927.4446 3954.3261 3396.0774 3873.5850 3531.6573 13.44_389.0750m/z 389.0750 13.44 3033.7918 2844.2717 2837.9349 2418.9623 2653.7083 2596.7431 13.44_513.2288m/z 513.2288 13.44 675.5312 603.1838 723.4112 628.7588 655.9255 615.9651 13.44_702.2226n 703.1657 13.44 10980.1370 8959.1188 8952.5370 7908.5347 8524.5832 8215.5253 13.44_708.2576n 709.1949 13.44 6251.1931 5126.5423 5214.4063 4446.5849 4856.4483 4738.8280 13.44_762.2543n 746.3074 13.44 13465.4455 11028.9755 11445.2106 9257.9588 10531.4474 10100.6479 13.44_776.2725n 759.2993 13.44 6887.7362 5437.4081 5778.7380 4891.2011 5670.2284 5470.1875 13.44_779.7847m/z 779.7847 13.44 2412.3205 1992.2330 2123.5197 1663.2934 1906.7417 1766.8046 13.44_788.2805m/z 788.2805 13.44 2158.9153 1787.5519 1740.3085 1340.5507 1485.3322 1291.8997 13.44_823.2476m/z 823.2476 13.44 591.1622 589.3326 471.6942 479.0529 463.0086 422.0671 13.44_954.8272m/z 954.8272 13.44 792.4861 733.9898 883.4102 640.3066 426.9107 481.4872 13.45_186.9573m/z 186.9573 13.45 1568.0763 1454.9942 1470.8969 1365.9294 1530.6785 1437.6194 13.45_202.9684m/z 202.9684 13.45 854.1257 727.6698 659.3757 548.1451 601.1690 521.9874 C6H7AsO3 Benzenearsonic acid 29851 MEDIUM 13.45_273.1750m/z 273.1750 13.45 1104.4117 1011.9594 1113.1933 996.9309 1058.1844 1047.0365 13.45_316.0841n 317.1041 13.45 57498.8747 52544.9520 54811.9909 49496.8283 53815.0054 52907.1994 13.45_577.7208n 600.7452 13.45 2697.0434 2427.6295 2358.9960 2173.1567 2269.3396 2181.0753 13.45_584.7052n 602.7390 13.45 2795.0417 2396.0683 2338.4287 1973.7741 2391.0331 2194.0592 13.45_605.2649n 623.2376 13.45 67352.3864 63248.8576 65408.3296 60747.3788 63536.8755 63757.8600 13.45_606.2785m/z 606.2785 13.45 341.3685 379.3338 412.5557 426.2060 441.4961 391.7752 13.45_614.7215m/z 614.7215 13.45 2642.6182 2156.2587 2385.1132 1922.0012 2178.0793 2153.8662 13.45_647.2063n 665.2401 13.45 8057.1969 7037.7400 7025.4507 6200.6321 6516.8564 6475.4908 13.45_668.2014m/z 668.2014 13.45 2074.9097 1794.2401 1785.9853 1536.3146 1746.7010 1680.0378 13.45_726.8403m/z 726.8403 13.45 193.9192 117.8337 118.9173 110.1089 96.9340 144.4156 13.45_727.8382m/z 727.8382 13.45 221.2438 228.8686 212.9622 149.4421 159.4594 158.4566 13.45_733.3204n 734.3276 13.45 7197.5335 5972.9806 6434.7880 5340.0301 6045.5860 5755.4353 13.45_740.8091n 763.7985 13.45 4071.8700 3295.8730 3408.6542 2955.7784 3214.5552 3200.8690 13.45_746.3067n 764.2944 13.45 5292.5905 4476.4375 4246.5261 3548.6232 4028.0994 3796.3371 13.45_746.8111m/z 746.8111 13.45 1852.7166 1642.2036 1681.3826 1339.4288 1584.3598 1624.4062 13.45_750.8541n 734.8316 13.45 2319.9108 1991.8331 2066.4724 1648.8198 1933.6564 1880.6997 13.45_755.8039n 773.7864 13.45 4563.2470 3568.3099 3891.6194 3145.7159 3462.3714 3369.4672 13.45_765.8378n 766.7927 13.45 1536.6868 1342.6234 1201.0981 993.8132 1155.9015 1203.1629 13.45_767.2955m/z 767.2955 13.45 4600.2561 3829.5237 3965.5099 3413.1731 3727.5380 3586.3928 13.45_769.3157n 770.3021 13.45 9797.9899 8329.4823 9063.3708 7985.6692 8704.5487 8430.9549 13.45_769.8125n 770.8066 13.45 3943.3079 3307.5868 3515.8769 2814.1936 3064.2709 3057.2140 13.45_784.8030n 767.7998 13.45 3320.8129 2683.9075 2700.2016 2260.5268 2654.1830 2351.7273 13.45_902.8764m/z 902.8764 13.45 3033.2879 2370.5525 2660.9065 1941.4082 2636.4625 2529.1639 13.45_905.3662n 888.3727 13.45 249400.0715 228839.0822 240067.2246 218072.7464 230175.8187 231438.6459 13.45_906.8763m/z 906.8763 13.45 3778.6604 3543.9866 3493.3225 3014.8750 3204.4396 3208.4181 13.45_910.3478n 911.3550 13.45 50572.3585 45520.5190 47685.6009 42989.0177 45994.9515 45628.5939 13.45_910.3572m/z 910.3572 13.45 9644.3111 8537.2276 9463.2578 8227.6965 8819.3273 8885.3604 13.45_912.8888n 930.8566 13.45 11818.7730 10534.1056 10248.8062 9046.5809 10177.1087 9209.8531 13.45_914.8626m/z 914.8626 13.45 3553.2548 3241.8143 3482.3412 3365.4399 3109.4008 3003.9731 13.45_916.8870n 917.8701 13.45 7833.9964 6724.3382 7040.3803 6187.7015 6452.1829 6679.6293 13.45_925.9046n 926.8507 13.45 12392.0754 11170.9761 11709.3756 10330.6116 11161.0280 11143.7779 13.45_934.3735n 917.3702 13.45 99382.7772 93436.9529 97508.9119 91155.7036 94820.1737 95887.0428 13.45_937.8747n 920.8714 13.45 15680.0658 12900.6735 13450.2875 10897.0257 12397.3209 12186.8288 13.45_954.3379n 937.3346 13.45 45384.0724 40448.3491 42976.2260 39414.5576 41807.0201 40273.4237 13.45_958.3388n 941.3356 13.45 93215.2896 85317.6975 92697.5609 83879.5686 90839.3618 89018.5484 13.45_966.3339m/z 966.3339 13.45 2403.2046 2239.9576 2160.6100 2014.5196 1874.6735 2093.5392 13.45_970.3354n 971.3427 13.45 25718.3516 23056.4839 25228.8949 20911.7270 19908.3416 21840.8674 13.45_995.2895m/z 995.2895 13.45 9709.3683 7925.6984 8234.2617 7098.9640 7763.7461 7947.8241 13.46_153.1246m/z 153.1246 13.46 402.6161 363.4972 357.5605 361.0304 382.4555 365.3862 13.46_163.3900m/z 163.3900 13.46 2922.1666 2789.5021 2911.5896 2679.0785 2766.4724 2806.2765 13.46_166.0262n 149.0225 13.46 102748.1220 98315.3190 101178.0331 95479.4139 98918.4244 99353.9590 13.46_180.0421n 163.0388 13.46 428249.7414 420252.0702 433160.3079 413638.9614 428813.6794 431259.8656 C9H8O4 Monomethyl phthalate 491486 HIGH 13.46_199.9848m/z 199.9848 13.46 69.5267 67.2343 87.9682 71.0475 93.4101 17.4432 13.46_276.1001m/z 276.1001 13.46 107.0827 81.1910 109.7797 65.7024 110.6673 101.7590 C18H15NO3 Oxaprozin HMDB15126 MEDIUM 13.46_279.1579m/z 279.1579 13.46 12812.1152 11633.7186 11830.9281 10932.4075 11527.8040 11450.8913 C16H22O4 Monoethylhexyl phthalic acid Monoethylhexyl phthalic acid HMDB13248 4376-20-9 HIGH 13.46_300.1341n 301.1414 13.46 1233753.9310 1195565.0040 1246451.0550 1178501.6210 1246191.3620 1247980.2520 13.46_301.6215m/z 301.6215 13.46 5683.8008 5363.0449 5674.6484 5181.6802 5526.4672 5480.8876 13.46_366.1351m/z 366.1351 13.46 4647.3299 4370.7280 4597.1680 4269.1155 4425.7187 4297.4894 13.46_377.0457m/z 377.0457 13.46 305.4201 286.3559 244.4244 211.0353 235.9930 278.1482 13.46_437.7086m/z 437.7086 13.46 14844.9986 13781.1599 13912.3432 13018.9234 13661.0247 13698.1926 13.46_482.1252n 483.1310 13.46 16550.4992 14997.4170 15944.0360 14237.1416 15230.1191 15091.3792 13.46_568.2660n 569.2379 13.46 19573.7782 17944.5551 18434.0659 16637.2672 17653.4220 17584.3901 13.46_573.3736m/z 573.3736 13.46 950.2284 932.6154 854.2161 784.1463 869.5502 835.7678 13.46_576.7844m/z 576.7844 13.46 1715.8286 1432.8193 1503.0023 1289.5349 1422.3387 1378.6957 13.46_579.2886m/z 579.2886 13.46 345140.2680 321310.6367 331772.5947 302247.0648 322232.2371 317005.3430 13.46_591.3842m/z 591.3842 13.46 2843.7791 2810.2890 2676.8236 2500.3277 2410.7353 2443.4251 13.46_594.2469n 595.2541 13.46 189159.7449 172903.7355 177247.1884 161305.6553 172198.6142 170920.6545 13.46_627.2237n 610.2204 13.46 49746.7287 46221.4658 46762.6445 41769.4233 45172.5706 44931.4438 13.46_632.2375n 655.1994 13.46 12989.7722 12312.8924 12855.8317 11834.9736 12555.0688 12358.7280 13.46_699.1642m/z 699.1642 13.46 4009.8178 3419.7880 3455.4669 2890.1762 3332.4958 3186.7003 13.46_730.8434m/z 730.8434 13.46 169.0910 184.0077 177.6695 163.0645 181.6033 178.9481 13.46_740.3353m/z 740.3353 13.46 3739.6128 2984.1801 2875.7123 2294.2673 2665.4474 2516.7790 13.46_896.4246n 897.3745 13.46 200401.5169 186940.2582 190860.8827 175562.9188 186587.1464 185463.6311 13.47_109.0292n 110.0358 13.47 1088.8529 978.9119 964.9091 846.9424 848.6512 901.7271 13.47_110.0362n 133.0280 13.47 17694.0660 17038.1160 17950.1384 17021.6732 17262.4929 17197.3856 C6H6N4O4 "1,3-Benzenediol" 27810 HIGH 13.47_137.0212n 121.0284 13.47 15003.0514 14892.8375 15879.3229 14696.4423 15338.0748 15069.1298 13.47_151.0659n 135.0433 13.47 21246.8214 20761.1069 21340.4228 19995.0254 20601.3338 20569.0669 13.47_153.0542m/z 153.0542 13.47 6039.2323 5756.0516 5856.4969 5421.6444 5631.9074 5572.6528 C8H8O3 Methyl 2-hydroxybenzoate 31832 HIGH 13.47_163.1435m/z 163.1435 13.47 14062.3840 13482.0148 13744.4126 12896.4506 12973.7345 12977.2010 13.47_163.1775m/z 163.1775 13.47 4775.5360 4573.2242 4707.0132 4434.5192 3352.8212 4117.4733 13.47_171.0049m/z 171.0049 13.47 16360.7308 15484.4976 16048.0291 14788.1415 15786.5669 15642.3003 13.47_195.0542m/z 195.0542 13.47 2419.7079 2034.7034 2048.2732 1970.1492 2213.2943 1904.7197 13.47_298.6333m/z 298.6333 13.47 240.8918 222.3838 186.9897 196.1733 209.4660 247.8733 13.47_301.2837m/z 301.2837 13.47 44769.8079 41560.1600 43362.6063 39925.2822 40703.9644 40699.9580 13.47_301.3295m/z 301.3295 13.47 14973.4357 13632.5525 13485.0077 12497.4023 10263.6519 12365.1917 13.47_301.3760m/z 301.3760 13.47 13071.4127 11956.5616 12530.1718 11170.3831 10566.6340 10293.8907 13.47_372.6410m/z 372.6410 13.47 239.0851 223.9355 242.3601 242.4113 228.5789 254.4086 13.47_381.6465m/z 381.6465 13.47 1262.6134 1204.1716 1182.2264 1084.5664 1188.1077 1243.9490 13.47_437.2068m/z 437.2068 13.47 32030.3881 29081.0519 29602.1538 27168.1681 29043.8787 28977.9568 13.47_453.2569m/z 453.2569 13.47 8023.0467 7532.4718 7694.2642 7051.4024 7503.6516 7459.5857 13.47_469.1399m/z 469.1399 13.47 3705.9121 3450.8990 3544.4881 3217.8900 3437.9212 3513.7857 13.47_488.1421n 471.1388 13.47 8888.1719 8022.5860 8138.5571 7477.2830 7816.6068 8068.4189 13.47_51.5973m/z 51.5973 13.47 230.1336 203.5023 191.9320 200.4122 120.6531 114.5937 13.47_511.1170m/z 511.1170 13.47 637.0789 611.1693 606.3269 455.9985 527.6648 458.2548 13.47_566.2320m/z 566.2320 13.47 3376.0252 3262.0766 3225.7818 3103.9158 3222.8557 3299.7653 13.47_575.2312m/z 575.2312 13.47 11328.0639 10439.7386 10653.2570 9709.1769 10203.9246 10204.6903 13.47_578.4822n 579.4895 13.47 3773.6417 2884.3522 3161.1693 2465.4314 2302.5405 2241.9309 13.47_618.2747n 601.2714 13.47 271026.3903 254068.8630 261592.1766 241163.5489 253725.7757 254157.8323 13.47_621.2200m/z 621.2200 13.47 42646.0842 39598.6588 40695.5938 36870.0963 39144.0787 39145.4925 13.47_634.2395n 657.1987 13.47 16215.9754 14653.8224 15385.6795 13931.6611 14743.5335 14722.6731 13.47_658.1926n 659.1999 13.47 17434.5596 15016.7099 14988.1497 13345.6248 14320.2091 13931.3447 13.47_678.2253n 701.1666 13.47 8328.4291 6781.5230 7006.6204 6102.0844 6357.4497 6425.8602 13.47_720.3395m/z 720.3395 13.47 1720.7041 1677.5827 1779.1910 1512.1759 1696.2309 1716.2448 13.47_736.8661n 759.8056 13.47 4003.2876 3596.0100 3600.1104 3298.9787 3450.3924 3502.8414 13.47_77.0389m/z 77.0389 13.47 3405.7368 3491.5242 3632.0815 3450.9582 3576.3954 3597.5519 C6H6O Phenol Phenol 15882 MEDIUM 13.47_79.0548m/z 79.0548 13.47 870.7425 877.9942 800.2926 747.7984 800.2326 803.9698 C6H6 Benzene Benzene 16716 MEDIUM 13.47_82.0431n 105.0335 13.47 2749.4204 2506.4636 2660.4786 2391.3684 2651.0311 2527.0632 13.47_857.4287m/z 857.4287 13.47 92240.5757 86264.6669 87792.3609 79943.2464 85484.1797 85463.4808 13.47_859.4224m/z 859.4224 13.47 87017.8873 80667.0986 82108.6886 75906.4713 80200.5067 80030.5076 13.47_872.3989n 873.4061 13.47 488029.9329 458145.1999 466389.9198 430906.8987 456488.9973 456492.8615 13.47_873.6552m/z 873.6552 13.47 4084.9952 3284.7075 3215.7093 2663.4555 2431.0915 2260.8467 13.47_886.3711n 887.3784 13.47 5482.0917 5159.6214 5812.3334 5400.3130 5496.7419 5716.2179 13.47_886.3733m/z 886.3733 13.47 3386.1910 3212.2835 3165.7225 2824.3881 3072.3968 2995.0746 13.47_901.3794m/z 901.3794 13.47 67397.4427 62952.5615 64384.5761 59610.7942 63190.3820 63415.5756 13.47_984.3319n 967.3286 13.47 4228.1879 3137.0155 3058.9019 2610.8359 3030.9802 2420.7233 13.47_986.2837m/z 986.2837 13.47 16738.5584 12798.0744 12811.4635 12208.1754 11355.3803 12506.3176 13.48_156.9621m/z 156.9621 13.48 883.9262 832.8227 793.0787 653.2921 740.4022 829.4176 13.48_251.1634m/z 251.1634 13.48 141.5649 127.3998 115.1356 81.1842 154.7964 109.1593 C15H22O3 Gemfibrozil Gemfibrozil HMDB15371 MEDIUM 13.48_257.0401m/z 257.0401 13.48 1338.6201 1166.2706 1061.0093 899.4691 985.6663 993.5898 C14H11NO5 Tolcapone Tolcapone 63630 MEDIUM 13.48_271.1575m/z 271.1575 13.48 343.6438 266.5373 235.6067 216.5929 240.7677 293.6907 13.48_371.0069m/z 371.0069 13.48 1640.0322 1499.8245 1564.6544 1443.7355 1595.0939 1488.3660 13.48_463.2274m/z 463.2274 13.48 6664.2683 6178.3706 6070.6165 5721.2301 5876.4914 5779.1713 13.48_467.1482m/z 467.1482 13.48 1521.5850 1340.3769 1321.8736 1184.6442 1216.6320 1299.7100 13.48_809.3449m/z 809.3449 13.48 2106.5832 1681.4341 1512.6300 1365.1043 1396.5004 1402.6788 13.48_811.3350m/z 811.3350 13.48 3871.3805 3187.8139 3000.9484 2710.6901 3104.5617 2932.4178 13.48_824.3187n 825.3260 13.48 6294.1044 4961.3342 4890.9614 4094.6267 5044.2914 4793.9132 13.48_840.2879m/z 840.2879 13.48 4544.1527 3978.1762 4137.1831 3593.1707 3406.9969 3501.0134 13.49_287.1966m/z 287.1966 13.49 1344.5773 1205.9042 1218.7611 1141.5234 1165.1382 1440.8853 C15H19N5 Rizatriptan 48273 MEDIUM 13.49_526.2600m/z 526.2600 13.49 1144.8603 999.4966 930.7659 876.1232 1008.6318 816.7989 13.49_530.2106n 531.2179 13.49 13744.1671 12721.6602 12670.2766 11554.0922 12218.6129 12249.1240 13.49_587.7679m/z 587.7679 13.49 308.6694 248.2855 239.3038 222.8612 283.4494 261.2222 13.49_664.2335m/z 664.2335 13.49 1933.4530 1640.8411 1676.6892 1445.0305 1520.7035 1545.3113 13.49_848.3273n 849.2939 13.49 9467.2736 7411.6135 7951.2214 6462.0216 7289.6766 7325.9153 13.50_160.9875m/z 160.9875 13.50 1689.4505 1512.9694 1687.4423 1513.8525 1585.7953 1602.6342 13.50_177.0362m/z 177.0362 13.50 3426.2848 3224.6166 3351.2004 3054.5347 3345.3743 3217.3509 13.50_217.9774n 218.9847 13.50 4374.4071 3915.5991 3836.8998 3130.3501 3662.4681 3310.2673 13.50_276.2057n 277.2135 13.50 11999.8765 11187.4537 11354.1821 10403.5369 10949.7471 10824.6045 13.50_295.2235m/z 295.2235 13.50 18732.9492 17480.5597 17805.5016 16706.2769 17526.2552 17217.5412 13.50_379.1493m/z 379.1493 13.50 1383.9543 1277.3643 1249.2412 1156.7176 1164.3627 1112.1347 13.50_613.3525m/z 613.3525 13.50 15293.8143 13838.8557 13877.0157 12540.8668 13350.9409 13193.6081 13.50_644.2860m/z 644.2860 13.50 11624.1379 10229.6671 9961.6672 8735.9607 9550.5681 9229.9667 13.50_646.3352n 629.3319 13.50 36256.8756 32382.4754 30051.5300 27659.5381 29208.2743 29322.2428 13.50_651.3297m/z 651.3297 13.50 3934.8658 3532.2141 3490.6614 3221.6514 3269.4919 3401.8306 13.50_652.3510n 635.3477 13.50 20487.5259 18534.0724 18067.2979 16433.8599 17416.2683 17513.0326 13.50_655.2882m/z 655.2882 13.50 8553.1094 7434.1597 5565.6509 4867.2595 5401.0098 5525.6963 13.50_675.2617m/z 675.2617 13.50 1662.8752 1444.6768 1425.6706 1229.1823 1358.4744 1426.1083 13.50_693.2822m/z 693.2822 13.50 2493.9917 2197.3930 2349.6657 2057.0381 2216.7852 2097.5101 13.50_694.2505n 677.2472 13.50 5324.6066 4253.1197 4465.1894 3858.0713 4174.5295 4039.4322 13.50_71.0862m/z 71.0862 13.50 594.5531 507.7706 481.4605 527.3653 642.2947 477.2212 C5H10 Cyclopentane 23492 MEDIUM 13.50_714.2457n 715.2530 13.50 5344.7101 4358.4100 4504.6388 3964.0260 4304.8441 4190.3841 13.50_907.4677m/z 907.4677 13.50 4768.3963 4099.0198 3157.7777 3037.8682 2983.6144 3040.5443 13.50_951.3835m/z 951.3835 13.50 12714.4603 11356.1971 11351.8128 11325.8100 11405.8944 11103.7003 13.50_957.3799m/z 957.3799 13.50 10673.7628 9983.5213 10610.8514 9644.4774 10130.6382 9798.5129 13.50_977.3405m/z 977.3405 13.50 22842.6637 20056.9099 21055.0331 16868.0590 16993.5543 17891.0649 13.51_255.0547m/z 255.0547 13.51 875.5354 789.1423 796.7383 702.4905 763.9018 707.3570 13.51_266.9531m/z 266.9531 13.51 1496.5572 1352.2959 1247.6537 1237.0257 1341.0548 1323.5339 13.51_278.9475m/z 278.9475 13.51 729.1409 619.1021 612.5972 509.4449 578.1957 572.2967 13.51_327.2459m/z 327.2459 13.51 1078.4947 951.4264 982.5383 886.6620 979.9380 944.1796 13.51_333.1566m/z 333.1566 13.51 11828.8927 10608.4266 11024.5320 9779.1868 10706.5739 10388.9604 13.51_335.2170m/z 335.2170 13.51 170787.2911 173194.6227 185085.5288 179414.6376 182603.1552 183766.9797 13.51_347.1327m/z 347.1327 13.51 4443.0171 3813.5031 3853.8633 3453.4152 3789.4075 3642.8093 13.51_663.4054m/z 663.4054 13.51 977.7098 866.3693 832.5635 705.3178 784.8920 783.5016 13.51_729.1995m/z 729.1995 13.51 657.1303 479.5208 335.2602 253.7834 280.5508 352.8595 13.53_263.0566m/z 263.0566 13.53 361.9854 327.1734 392.5312 194.5655 353.2261 274.7460 13.53_291.1014m/z 291.1014 13.53 1228.7258 1070.9412 1181.5619 1031.3042 1099.5510 1075.3199 13.53_727.2076m/z 727.2076 13.53 1097.7190 740.7457 453.9159 395.1729 445.4198 522.7994 13.54_61.6193m/z 61.6193 13.54 323.5085 645.4638 547.0938 774.8128 811.3904 634.3338 13.54_614.2517m/z 614.2517 13.54 430.2233 293.0386 154.6979 160.5783 229.4011 191.0736 13.54_63.6453m/z 63.6453 13.54 2097.8482 3911.0300 4388.0777 4887.6336 4537.7715 5114.8136 13.55_116.2411m/z 116.2411 13.55 162.7355 754.7385 858.5509 795.6864 867.1444 1009.1593 13.55_330.3345m/z 330.3345 13.55 349.2027 282.5596 383.9528 321.7427 365.7450 702.1100 13.55_968.3025m/z 968.3025 13.55 19654.3311 26832.8484 34282.2960 36749.4650 31629.2280 36201.2081 13.56_69.3617m/z 69.3617 13.56 495.8827 978.8530 1093.3903 1015.4853 379.9438 769.0267 13.59_214.2152m/z 214.2152 13.59 805.3160 705.3376 736.0846 705.9414 710.7134 678.3626 13.59_223.1317m/z 223.1317 13.59 4496.4667 4172.1433 4322.3861 3910.5140 4223.2574 3969.6897 13.59_265.1681m/z 265.1681 13.59 4399.0898 3607.5440 3642.0373 3193.9801 3586.3356 3588.1707 13.59_305.1357m/z 305.1357 13.59 10027.5129 9127.4289 8980.7189 8376.6357 9024.8892 8971.4302 C15H22O5 Artemisinin MEDIUM 13.59_326.3769m/z 326.3769 13.59 264.0866 185.1555 233.4329 241.7653 252.8859 287.5009 13.59_766.4109m/z 766.4109 13.59 2018.9570 1431.6303 1383.8071 1296.9233 1350.8300 1295.9906 13.60_339.2537m/z 339.2537 13.60 2186.1150 1842.5549 1906.5709 1712.7303 1752.1617 1813.3288 13.60_414.2955m/z 414.2955 13.60 33995.1894 31377.4002 30604.7497 29976.2073 30377.6874 30199.7324 13.60_449.3103n 472.2987 13.60 31193.8574 29076.8470 29195.3868 28908.9072 28612.8517 28517.0139 13.60_485.2175m/z 485.2175 13.60 1748.0691 1312.2083 1338.3357 1214.4498 1375.3999 1183.9902 13.60_488.2686m/z 488.2686 13.60 11896.3177 9817.9157 9385.3774 8546.7013 9289.4645 9042.2889 13.60_491.2509n 514.2266 13.60 1848.4924 1482.9413 1279.0696 1238.6883 1307.3761 1341.3098 13.60_511.2781n 512.2302 13.60 3991.2115 3243.9860 3128.6182 2908.4027 3124.8345 2869.8284 13.60_516.2303m/z 516.2303 13.60 1028.5587 895.2437 767.5422 756.8011 814.0819 778.1159 13.60_750.4397m/z 750.4397 13.60 1031.2590 935.6229 763.2993 858.4018 726.5848 805.8674 13.61_261.1822m/z 261.1822 13.61 173.1354 205.6600 141.8467 94.7004 147.9999 145.2751 C17H27NO2 Venlafaxine Venlafaxine 9943 MEDIUM 13.61_275.1870m/z 275.1870 13.61 433.0550 309.9413 373.6239 183.1143 322.0174 264.9134 13.61_291.1863m/z 291.1863 13.61 3440.7977 2878.1336 2726.4260 2293.7322 2699.8170 2532.1282 13.62_521.2417m/z 521.2417 13.62 781.8804 611.0989 496.4294 506.9772 550.7157 437.1626 13.63_275.1600m/z 275.1600 13.63 510.6137 294.2577 327.0553 205.5447 226.2458 211.4067 13.63_552.2221m/z 552.2221 13.63 743.9947 514.2587 462.3638 419.5891 472.3004 438.9912 13.64_178.0987n 161.0954 13.64 2350.3603 1796.8540 1604.1087 1242.8094 1458.1342 1417.5694 C11H14O2 Methyleugenol Methyleugenol 4918 MEDIUM 13.64_301.2963n 302.3028 13.64 1041.0277 1222.4795 851.3774 1199.6779 1031.3175 805.2178 13.64_327.2074m/z 327.2074 13.64 3153.2854 2867.2209 2852.9387 2515.0214 2766.9914 2683.3046 13.64_359.2205m/z 359.2205 13.64 9808.2986 9158.6285 8971.0595 8174.3683 8841.7447 8777.8931 13.65_176.1186m/z 176.1186 13.65 250.2063 181.8940 133.0102 100.2821 180.0407 177.0143 13.65_194.0952n 177.0919 13.65 1038.1772 698.7925 609.2975 407.9450 552.8853 592.2084 C16H32O2 2-Hydroxy-3-isopropyl-6-methylbenzoic acid HIGH 13.65_243.1313m/z 243.1313 13.65 694.8203 431.9486 368.3967 331.5570 403.7359 441.6104 13.65_259.1118m/z 259.1118 13.65 606.6863 465.0787 417.7191 168.2223 356.1197 189.5848 13.65_621.4109m/z 621.4109 13.65 1814.9191 1599.1219 1501.9573 1317.3608 1511.2850 1480.5461 13.65_63.3275m/z 63.3275 13.65 2525.3654 2833.7752 3766.4721 3835.7101 3453.8680 4082.3670 13.65_967.3907m/z 967.3907 13.65 27385.7643 46065.3886 57683.7568 59628.1905 55630.2174 59351.3287 13.66_163.0745m/z 163.0745 13.66 491.2665 338.3219 325.5471 265.4369 302.8622 260.4205 C10H12O3 Propylparaben HMDB32574 94-13-3 MEDIUM 13.66_255.1889m/z 255.1889 13.66 2725.8706 2117.4260 2114.1973 1609.1432 1858.3485 1813.2989 13.66_289.1528m/z 289.1528 13.66 5126.3643 4777.1452 4186.2780 3696.1278 4449.6898 4595.2653 13.66_365.1335m/z 365.1335 13.66 26128.0053 21928.9883 21726.3900 19125.3999 21702.3935 20943.2523 13.66_499.2382m/z 499.2382 13.66 1169.2273 901.9551 764.0566 699.5704 833.2233 784.3027 13.66_65.9395m/z 65.9395 13.66 12355.4358 14786.3642 18456.7002 17253.4016 16662.1977 18191.9573 13.66_916.5183m/z 916.5183 13.66 3784.3667 10003.5302 15034.9068 13959.9490 14419.9919 16500.3113 13.67_427.1076m/z 427.1076 13.67 515.8599 342.9428 281.1937 327.8672 365.3444 257.3006 13.67_451.2738m/z 451.2738 13.67 2222.5929 1791.3280 1729.3777 1423.2356 1630.0039 1638.8839 13.67_960.2859m/z 960.2859 13.67 17417.7112 31496.9334 38337.4309 42473.5713 36728.8635 43282.3397 13.68_355.2554m/z 355.2554 13.68 3219.8020 2822.0625 2791.3071 2595.6921 2713.9133 2757.1147 13.68_909.7907m/z 909.7907 13.68 3190.1176 7335.8811 9186.5407 11150.3767 9107.6274 11815.4169 13.69_373.2206m/z 373.2206 13.69 5310.5652 5066.4639 4674.9921 4571.5803 4777.6914 4710.9655 13.69_388.2420m/z 388.2420 13.69 210.0331 141.8479 85.4536 88.1558 245.0679 115.6519 13.69_424.3369m/z 424.3369 13.69 7256.0772 7720.8961 5906.7209 7810.2431 7173.5930 6662.1253 13.69_953.1245m/z 953.1245 13.69 2775.5381 6086.5890 8198.2517 9016.3476 7608.5291 9938.4495 13.70_225.0959m/z 225.0959 13.70 2107.9592 1713.8239 1572.5104 1323.7164 1548.3823 1286.1591 13.70_522.2732m/z 522.2732 13.70 479.7974 407.9027 362.6416 383.0013 380.4896 381.9439 13.70_538.2459m/z 538.2459 13.70 861.9184 654.0910 596.6270 502.0914 599.3379 550.0301 13.71_341.1982m/z 341.1982 13.71 7094.8463 5957.2725 5697.6154 5175.1718 5817.6972 5422.5730 13.72_242.2816m/z 242.2816 13.72 144347.6182 115764.5981 116427.0318 101123.9095 118084.7704 112498.2365 13.72_242.4096m/z 242.4096 13.72 1910.2920 1174.8446 1102.7426 805.9988 969.3345 862.7141 13.72_357.2703m/z 357.2703 13.72 3720.6673 3239.9203 3061.6227 2854.0449 3143.3371 3051.2522 13.72_632.5586m/z 632.5586 13.72 336.8415 327.1053 369.7976 334.2660 407.9254 380.9419 13.73_85.1016m/z 85.1016 13.73 238.3218 208.5822 204.5904 200.4893 200.6622 228.3827 C6H14O 1-Hexanol 113441 MEDIUM 13.74_339.2436m/z 339.2436 13.74 2484.5460 2091.9030 2276.9315 2010.2780 2258.2590 2114.6189 13.74_457.2723m/z 457.2723 13.74 10365.7949 8922.5241 9579.4067 8499.2563 9159.1385 8757.6338 13.74_559.3191n 560.3265 13.74 2464.3660 2572.4292 2088.5769 2702.3717 2465.1960 2362.5034 13.74_676.5642m/z 676.5642 13.74 1174.5363 1148.4660 1447.7797 1364.4367 1359.8378 1345.9471 13.74_724.3138m/z 724.3138 13.74 1198.5860 1947.9505 2028.4775 2009.6527 1951.3097 2060.2910 13.75_591.3035m/z 591.3035 13.75 1854.8639 1572.6162 1534.5552 1398.6377 1599.7341 1532.7530 13.75_908.9371m/z 908.9371 13.75 8629.9599 15012.0892 15740.1919 17763.0220 16203.4108 17392.7418 13.75_966.4932m/z 966.4932 13.75 55760.9078 80335.0536 94946.8793 107475.9402 88941.9861 99261.6545 13.76_915.6654m/z 915.6654 13.76 9705.3125 13843.4783 20941.2400 22617.2998 17201.1043 20497.1763 13.76_952.2707m/z 952.2707 13.76 4368.4227 7187.6140 8888.2328 10070.9984 10074.5862 12726.9673 13.76_959.3794m/z 959.3794 13.76 37650.2995 61908.9005 66360.0689 78394.9874 66048.2348 73541.9888 13.77_299.2133m/z 299.2133 13.77 1890.7562 1458.4548 1462.7497 1258.2071 1507.7656 1384.5335 13.77_520.4304m/z 520.4304 13.77 383.8163 314.2471 323.0904 250.4221 337.9383 377.8399 13.78_340.0877n 341.0950 13.78 7051.6845 5996.1027 6161.7785 5428.9099 6140.5707 5740.8215 13.78_65.6010m/z 65.6010 13.78 20077.7512 25037.5200 28537.9440 27994.5351 26087.4320 28004.9410 13.80_365.2038m/z 365.2038 13.80 1692.1953 1558.9712 1345.7586 1673.1704 1507.1308 1297.6516 13.80_60.9895m/z 60.9895 13.80 613.9636 900.9420 1233.6292 1208.6738 1031.5108 852.6277 13.81_288.1322n 289.1572 13.81 1852.8632 1564.8085 1534.5436 1353.5337 1626.9138 1527.3398 13.81_449.3056n 472.2946 13.81 13095.0767 13033.8189 13325.3311 13217.0923 12847.1140 12154.3933 13.82_335.1221m/z 335.1221 13.82 41958.7515 37007.5783 39065.8658 34071.6974 38318.3999 36794.6338 C18H19F3N2S Triflupromazine 9711 MEDIUM 13.82_397.0979m/z 397.0979 13.82 363.5554 198.7885 314.8311 210.3350 272.0941 204.3525 13.82_414.2857m/z 414.2857 13.82 13218.1451 13028.9112 13202.9874 13142.1363 13109.9122 13127.2121 13.82_488.2636m/z 488.2636 13.82 5449.9527 4784.8086 4931.8699 4481.0419 4682.8585 4689.5703 13.82_514.2310m/z 514.2310 13.82 518.0566 413.7656 476.7668 425.8004 433.2633 444.9596 13.82_554.4129m/z 554.4129 13.82 637.7230 512.5444 474.2225 484.8246 595.4291 597.1809 13.82_91.0528m/z 91.0528 13.82 188.1983 170.2031 233.3204 144.3682 178.8537 191.0100 13.83_291.1949m/z 291.1949 13.83 5011.1513 4503.1013 4809.5096 4347.2311 4999.2188 5328.5968 13.87_233.1865m/z 233.1865 13.87 1039.1326 977.9615 972.3575 891.6177 972.3281 858.2980 13.88_150.0256m/z 150.0256 13.88 152.8363 172.5211 132.4229 119.6561 134.0041 141.8582 13.88_205.0836m/z 205.0836 13.88 467.0085 380.2954 380.6564 367.3590 388.4751 423.2238 C12H15NO3 Carbofuran 34611 MEDIUM 13.88_281.1713m/z 281.1713 13.88 6149.7015 5608.7337 6054.8369 5305.3014 5916.8247 5736.7817 13.88_301.1374m/z 301.1374 13.88 106845.9546 94038.2632 97449.4184 88876.1969 97407.5293 97231.6235 13.88_363.1173m/z 363.1173 13.88 7282.6923 6831.8020 7159.5899 6561.6750 6910.3383 6926.4373 13.88_369.1344m/z 369.1344 13.88 281.9431 120.0969 223.6163 153.6575 145.6409 133.1566 13.88_387.0763m/z 387.0763 13.88 529.5013 395.1897 384.1746 407.0373 566.4561 437.0468 13.88_389.0763m/z 389.0763 13.88 328.3309 259.9873 278.6640 248.0469 286.7031 243.6747 13.88_410.1024m/z 410.1024 13.88 498.6498 419.8180 411.8775 407.4878 419.1708 432.3110 13.88_579.2839m/z 579.2839 13.88 1473.6077 1261.8082 1173.3028 1071.3858 1129.7032 1263.9842 13.90_400.3348m/z 400.3348 13.90 6706.3170 7827.9271 6590.7066 8257.6345 7343.2910 6332.7255 13.92_269.2044m/z 269.2044 13.92 5847.7858 5765.8020 5357.3570 5805.8217 6390.1450 6608.4419 13.92_294.2123n 317.2025 13.92 24329.0162 23480.9758 24402.0203 23543.8240 24249.3513 24372.4676 C20H26N2 Trimipramine 9738 MEDIUM 13.92_373.2250m/z 373.2250 13.92 5245.9230 5582.4325 5282.6132 5593.1856 5619.3613 5142.8225 13.93_337.2015m/z 337.2015 13.93 3035.2967 2900.8401 3139.3721 2808.3950 2976.1873 3084.0838 13.93_339.2164m/z 339.2164 13.93 2521.1038 2467.6734 2599.5672 2513.9680 2662.2064 2680.7117 13.93_556.2813m/z 556.2813 13.93 654.0865 525.3413 558.5779 588.8255 536.0085 571.4661 13.94_139.9244m/z 139.9244 13.94 174.3041 60.6304 192.9958 115.0554 130.2432 91.7887 13.94_251.1917m/z 251.1917 13.94 3803.6907 3163.9220 3620.8934 3076.1845 3382.2556 3306.6827 13.95_212.1401m/z 212.1401 13.95 3046.7192 3018.5265 3098.4263 3070.2225 2951.7156 2748.3398 13.95_262.2478m/z 262.2478 13.95 1355.2126 1328.4256 1313.2116 1441.8927 1469.3156 1405.4113 13.95_451.1315m/z 451.1315 13.95 1392.5117 1280.0031 1476.8076 1279.7032 1364.9182 1422.9720 13.97_360.3573m/z 360.3573 13.97 460.8211 424.9112 348.9553 335.1125 383.3584 416.8128 13.98_325.3204m/z 325.3204 13.98 255.8308 218.8015 234.6265 217.0443 231.9499 250.7515 13.98_524.3038m/z 524.3038 13.98 254.6350 271.6918 286.3772 308.8431 331.4375 306.8492 13.99_225.1123m/z 225.1123 13.99 347.5206 445.9850 353.1899 409.8494 355.8077 317.2584 14.02_179.1394m/z 179.1394 14.02 573.9220 695.4767 588.0676 644.3090 628.7932 601.0907 C7H15NO3 L-Carnitine Carnitine 16347 MEDIUM 14.02_238.1504n 239.1577 14.02 5086.3005 4965.1737 5000.2334 4854.9595 4958.3985 4888.8668 14.02_289.6559m/z 289.6559 14.02 82.2943 99.6828 55.2901 103.1684 55.8803 62.3919 14.02_290.1810n 313.2301 14.02 12824.8545 11534.6452 12752.6732 11711.4309 12376.5636 12124.2741 14.02_292.1926n 293.2051 14.02 25213.7110 24265.1960 25443.5210 24558.0602 25093.8037 25483.7365 14.02_350.1930n 333.1897 14.02 13251.3583 13179.9052 13340.7995 13328.2426 13220.8740 13070.7417 14.02_365.2040m/z 365.2040 14.02 6171.0065 6490.4375 6488.5804 6946.7215 6899.0142 6375.7423 14.03_338.2375n 339.2447 14.03 12822.0224 12381.2282 13045.6024 12541.4948 12924.0100 12898.8841 14.03_355.2095m/z 355.2095 14.03 5032.3278 4877.0365 5043.6619 4741.2076 4893.9380 4958.8717 14.05_237.1309m/z 237.1309 14.05 2099.5755 2062.6833 2078.7869 1992.1754 2058.2597 2129.5671 14.08_341.2010m/z 341.2010 14.08 18772.1552 18620.0405 18818.3976 18978.1747 18784.2308 18998.7716 14.08_535.2498m/z 535.2498 14.08 4549.1396 4483.3247 4454.8792 4678.2417 4608.4981 4485.5068 14.09_251.1613n 274.1387 14.09 5362.1075 4916.1792 5076.3561 4701.7693 5025.5182 4371.4987 14.09_261.1801m/z 261.1801 14.09 436.6636 465.4422 342.5616 460.4335 465.3832 414.1458 14.09_357.2520m/z 357.2520 14.09 21503.5901 20796.5219 21359.8061 21687.0129 21359.9180 22192.3858 14.09_679.4459m/z 679.4459 14.09 2429.8284 2525.5046 2274.2015 2559.5169 2330.5243 2459.9861 14.10_191.1408m/z 191.1408 14.10 678.3171 542.4966 559.4709 584.9165 736.3660 648.9997 14.10_225.1120m/z 225.1120 14.10 656.7317 543.6451 702.2071 593.8223 635.0580 650.8218 C13H12N4 "1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine" 76290 MEDIUM 14.10_228.1458m/z 228.1458 14.10 226.8605 259.1727 272.1108 210.2376 251.3572 231.4287 C8H18O6 Methyl ethyl ketone peroxide MEDIUM 14.10_271.1316m/z 271.1316 14.10 688.2076 644.9949 678.5650 722.1810 640.2212 594.0125 14.10_426.3506m/z 426.3506 14.10 12584.8634 14445.6460 12481.7948 16183.9177 14440.6545 12966.6568 14.11_285.1333m/z 285.1333 14.11 1357.9599 1231.8475 1379.3356 1199.4893 1283.3944 1334.1962 14.13_265.1800m/z 265.1800 14.13 8435.5357 8050.9206 8247.5243 7630.3689 8081.1167 8105.5090 14.13_274.2097n 297.2000 14.13 44139.7583 52859.7960 46873.6493 56701.1807 48702.7739 54727.4588 14.13_359.1701m/z 359.1701 14.13 6017.4096 6367.3842 5880.0249 6530.5275 5902.7665 6543.3903 14.15_269.2028m/z 269.2028 14.15 3493.1209 3388.9427 3390.3325 3322.8053 3555.5768 3720.8002 14.15_385.2072m/z 385.2072 14.15 3792.2182 3700.5458 3678.8482 3775.3223 3718.1489 3629.5338 14.15_401.2783m/z 401.2783 14.15 9389.1749 8855.1054 9307.9968 9173.8475 9422.3086 9747.4446 C24H33NO3 Naftidrofuryl MEDIUM 14.18_302.2154m/z 302.2154 14.18 157.1632 156.1803 103.6913 128.5291 68.5404 113.8825 14.18_551.3159m/z 551.3159 14.18 1133.6362 1112.5985 1178.8906 1101.8012 1168.8495 1180.2019 14.19_253.2054m/z 253.2054 14.19 6855.9167 6332.2571 6642.3300 6156.9156 6462.3405 6630.9859 14.19_347.2536m/z 347.2536 14.19 1822.7494 1779.8919 1956.3739 1901.1212 1955.3219 1931.6152 14.20_279.1915m/z 279.1915 14.20 5502.1879 5361.6542 5871.6203 5454.0450 5630.2787 5432.2896 14.20_284.9338m/z 284.9338 14.20 157.5167 242.4219 99.4839 191.4085 161.5382 177.0374 14.20_295.2165m/z 295.2165 14.20 16884.7459 15769.9766 17176.7829 15512.3447 16345.9793 16561.8338 C20H26N2 Trimipramine 9738 MEDIUM 14.21_293.0926n 311.1874 14.21 4600.8148 4535.1986 4517.5440 4578.7692 4640.9784 4606.6636 14.21_337.0975m/z 337.0975 14.21 545.5630 513.9460 534.7231 455.6785 533.7407 439.1649 14.21_421.2276m/z 421.2276 14.21 14487.7884 13821.5399 14358.5542 13577.9162 14456.6689 14594.5539 14.21_483.1929m/z 483.1929 14.21 1498.6765 1402.8699 1487.2198 1327.0648 1388.0705 1414.2200 14.21_545.3527m/z 545.3527 14.21 4036.3302 3985.2524 4046.6555 4086.3586 3965.3184 4151.8521 14.23_237.1166m/z 237.1166 14.23 1210.7427 1196.5529 1198.5457 1066.2307 1075.1698 1071.9035 14.25_339.1710m/z 339.1710 14.25 1820.1846 1771.7238 1980.0196 1937.7200 1947.9265 1897.5805 C20H19NO3 Pyriproxyfen 39260 MEDIUM 14.26_179.1379m/z 179.1379 14.26 584.8521 549.1175 636.9537 696.2371 539.6420 641.4851 C7H15NO3 L-Carnitine Carnitine 16347 MEDIUM 14.26_416.3671m/z 416.3671 14.26 509.7505 460.5940 484.0601 449.1318 445.9668 419.8159 14.26_697.3247m/z 697.3247 14.26 1190.3945 1359.9207 1296.2685 1309.8207 1293.8751 1234.5018 14.27_269.2040m/z 269.2040 14.27 6413.4502 6030.3350 6242.9834 6036.3638 6339.8465 6241.5262 14.29_257.1400m/z 257.1400 14.29 1089.6291 1004.3044 1100.1261 1038.8353 1079.1850 1043.6952 14.29_411.0914m/z 411.0914 14.29 11908.5898 9910.4436 13207.1802 10356.5013 13193.7691 11657.3205 14.29_487.2324m/z 487.2324 14.29 3501.5987 3336.4669 3496.7930 3550.4485 3385.6137 3383.3056 14.29_511.2284m/z 511.2284 14.29 2617.8609 2511.2535 3035.8326 2966.9763 2920.0993 2912.0723 C29H36O9 Satratoxin H MEDIUM 14.30_645.3181m/z 645.3181 14.30 1351.2742 1388.4104 1278.8606 1414.4965 1229.9205 1290.4716 14.31_108.0928n 109.1000 14.31 604.1283 614.9446 525.9550 568.2017 581.3675 536.8759 14.31_123.1152m/z 123.1152 14.31 751.5738 811.1953 834.4157 831.7336 822.9242 811.0172 C7H16 2-Methylhexane MEDIUM 14.31_136.1231n 137.1304 14.31 1084.4136 1030.7666 985.0631 1067.2168 1029.1932 1076.7822 14.31_150.1380n 173.1290 14.31 1338.6428 1394.6092 1298.6241 1244.4758 1276.9157 1272.3175 14.31_161.1262m/z 161.1262 14.31 351.9102 374.3583 359.4406 338.7499 378.8919 386.6243 14.31_166.1325n 150.1117 14.31 174.1500 256.5069 187.0112 213.8050 213.5481 199.8821 14.31_194.1268n 177.1235 14.31 1874.8833 1889.1132 1899.4621 1828.4637 1812.7146 1857.4014 14.31_204.1464n 187.1432 14.31 783.3265 786.8417 674.2690 652.6172 714.6022 749.0099 14.31_209.1496m/z 209.1496 14.31 1341.5293 1393.9249 1342.4924 1393.3926 1403.0348 1388.8562 14.31_223.1667m/z 223.1667 14.31 1464.6151 1351.4423 1354.8973 1400.5703 1368.9543 1413.5088 C12H24O2 Dodecanoic acid Lauric acid 30805 MEDIUM 14.31_260.2091n 261.2111 14.31 4114.6457 4240.7272 4277.3226 4299.9061 4217.7155 4236.5855 14.31_279.2264m/z 279.2264 14.31 92099.8915 91460.3548 92616.5502 91827.3868 93364.1966 93281.4207 14.31_317.1929m/z 317.1929 14.31 39512.1808 38865.5634 39870.5250 40198.6464 40142.5589 40292.8656 14.31_318.2116n 319.2189 14.31 166452.0805 166279.7151 165984.7078 170982.9095 169377.5755 170406.9299 14.31_322.1865n 345.1919 14.31 17006.8915 16450.8519 17395.1235 16970.8116 17098.0769 17078.7112 14.31_332.1433m/z 332.1433 14.31 11968.1767 11589.3393 11920.2029 11876.7119 11875.5455 11859.0478 14.31_341.1413m/z 341.1413 14.31 9245.6645 9243.4801 9183.4499 9235.0946 9443.8142 9031.1661 14.31_343.1388m/z 343.1388 14.31 5818.2649 5452.7292 5504.3007 5520.0704 5457.5947 5638.2190 14.31_345.1394m/z 345.1394 14.31 4906.2714 4768.6977 4547.3028 4577.5768 4611.7698 4572.5218 14.31_371.1831m/z 371.1831 14.31 2957.7564 2805.1873 3065.1136 2853.6833 3010.5365 2997.9616 14.31_417.2302m/z 417.2302 14.31 6800.3410 6836.3039 6810.4991 7139.6028 6933.5711 6875.4235 C24H32O6 Verrucosidin MEDIUM 14.31_483.1936m/z 483.1936 14.31 2675.5084 2689.3395 2909.3771 2719.9818 2757.9775 2738.9914 14.31_491.1356m/z 491.1356 14.31 1290.0902 1195.4756 1175.1492 1270.4305 1199.8629 1249.9166 14.31_598.3958n 621.3803 14.31 1756.4525 1649.5869 1641.5915 1694.7752 1558.5661 1702.1446 14.31_614.4250n 615.4323 14.31 2464.1043 2478.8329 2354.9955 2442.4403 2484.6035 2228.6821 14.31_618.4131n 601.4098 14.31 3351.8986 3326.0499 3177.3635 3282.1115 3231.1029 3058.5131 14.31_623.3437m/z 623.3437 14.31 2383.3714 2189.4784 2206.1591 2339.7386 2288.4659 2141.9679 14.31_630.4062n 631.4135 14.31 5822.6554 5722.3302 5439.4152 5618.1424 5355.7465 5417.9786 14.31_634.3661n 657.3659 14.31 924.7584 849.7696 838.8431 820.1812 791.4326 853.2170 14.31_662.3591n 685.3235 14.31 673.7951 737.1767 574.7907 656.6473 690.3668 653.9986 14.31_677.3505m/z 677.3505 14.31 611.2875 555.4590 504.7021 626.8162 532.1483 555.4010 14.31_679.3613m/z 679.3613 14.31 736.5114 693.7085 629.0423 655.1128 633.7976 587.7388 14.31_687.3470m/z 687.3470 14.31 434.4425 366.2199 299.1456 371.6520 296.3646 310.5171 14.31_689.3441m/z 689.3441 14.31 766.1327 632.6652 625.5886 784.5033 739.9701 754.1734 14.31_700.3561n 701.3634 14.31 1258.6703 1294.4756 1262.8859 1251.9054 1157.8825 1147.9834 14.31_729.3068m/z 729.3068 14.31 542.0587 527.8760 422.9952 479.6016 513.8736 495.7304 14.31_731.3032m/z 731.3032 14.31 901.9624 922.8158 850.8230 892.6190 922.5550 823.4321 14.31_756.3269n 739.3236 14.31 1695.6347 1427.2353 1368.1694 1533.8155 1390.0247 1315.1203 14.31_81.0698m/z 81.0698 14.31 401.0695 443.4549 414.8140 443.9488 436.9290 487.1622 C7H12O 2-Hexenal HIGH 14.31_95.0849m/z 95.0849 14.31 687.2964 675.5685 607.8368 600.6655 656.8143 627.5367 C13H17NO2 2-Heptenal HIGH 14.33_629.1572m/z 629.1572 14.33 1796.3208 1629.5911 1842.1814 1867.5428 1706.4261 1661.3348 14.33_693.2775m/z 693.2775 14.33 1275.9082 1231.2429 1152.0275 1239.1450 1172.2118 1251.5928 14.33_716.4128m/z 716.4128 14.33 1168.1410 1124.8034 1155.4121 1200.0745 1104.5740 1151.6085 14.34_327.3343m/z 327.3343 14.34 287.8746 228.1761 241.3817 247.8199 273.1937 271.2259 14.35_226.1561m/z 226.1561 14.35 2996.0800 2894.2409 3127.5991 3003.1043 2912.2824 2729.3645 C11H16N2O2 "4-(Methylamino)-3,5-xylyl methylcarbamate" HIGH 14.35_313.2254m/z 313.2254 14.35 15130.7226 14146.0692 14822.8637 14540.2279 14571.9792 14440.8338 14.35_681.3156m/z 681.3156 14.35 1840.0572 1846.3875 1840.4260 1956.8457 1764.6653 1846.3945 14.36_551.3087m/z 551.3087 14.36 6778.5088 6675.8683 7037.3501 7019.9461 6843.8600 6778.4259 14.38_265.2069m/z 265.2069 14.38 14166.8569 13656.2686 14327.7845 13793.3644 14071.7115 13997.0834 14.38_295.1872m/z 295.1872 14.38 17781.3832 17142.2476 18178.8180 17391.9144 17660.3029 18172.9626 14.38_298.3434m/z 298.3434 14.38 248.2675 191.3223 268.3406 226.0292 212.5745 189.6832 14.39_315.1659m/z 315.1659 14.39 35748.0559 34971.1456 34015.1882 35181.4043 36798.1158 38759.9728 14.40_104.1063m/z 104.1063 14.40 203.5876 236.5167 209.8708 249.5900 220.9764 188.6269 14.40_148.5293m/z 148.5293 14.40 247.6807 327.0262 291.8360 377.9702 358.6609 320.8660 14.40_150.1128m/z 150.1128 14.40 260.7822 243.9043 242.1309 167.3496 166.6077 151.1991 14.40_157.5360m/z 157.5360 14.40 229.6112 240.2281 191.5406 247.9153 235.7141 177.2683 14.40_244.6226m/z 244.6226 14.40 371.8917 465.4327 407.8191 507.2174 502.5999 419.2280 14.40_253.6281m/z 253.6281 14.40 2983.2038 3272.7840 2879.7918 3610.1922 3238.2081 2827.8904 14.40_263.1946m/z 263.1946 14.40 15598.8347 14723.1064 15707.7208 14813.5905 15476.2989 15220.9506 14.40_265.6126m/z 265.6126 14.40 196.5532 243.3840 163.9637 248.3943 231.0222 113.1393 14.40_272.6272n 256.6046 14.40 291.5571 411.2231 307.5970 397.5901 395.5119 241.6812 14.40_284.6056n 307.5870 14.40 1066.4524 1102.7337 975.2845 1259.6869 1101.9807 913.2077 14.40_298.6112m/z 298.6112 14.40 263.2567 319.5534 282.3512 353.9227 319.3567 207.2600 14.40_318.5957n 319.5734 14.40 802.1037 885.9942 680.1307 915.9426 859.3255 659.4699 14.40_341.1863m/z 341.1863 14.40 17547.3655 17526.9490 17457.8232 17688.6026 17525.6148 17656.3561 14.40_430.3825m/z 430.3825 14.40 516.2150 526.4509 544.7880 552.6582 533.3457 517.8358 14.40_489.2755n 490.2828 14.40 15254.8721 17242.3412 16360.9496 20526.9518 18525.4915 15849.4681 14.40_576.2178m/z 576.2178 14.40 1584.1941 1633.8391 1531.0259 1769.5178 1517.7982 1360.2463 14.41_290.6332m/z 290.6332 14.41 452.3143 499.5333 411.3010 571.4617 516.2427 435.6076 14.42_361.2195m/z 361.2195 14.42 7758.2008 7448.2528 7586.6148 7791.2270 7629.6636 7778.2715 14.43_327.0757m/z 327.0757 14.43 1027.4208 700.6147 841.4204 723.2826 859.2802 858.5043 14.43_342.2110n 343.2183 14.43 35499.7339 35170.2066 37256.9751 37917.1736 36692.7699 37848.7216 14.43_359.1956m/z 359.1956 14.43 10533.4404 10198.6530 10583.9685 10514.8196 10416.1976 10599.6180 C20H23NO4 (S)-Isocorydine 561752 MEDIUM 14.43_368.1234n 391.1064 14.43 13247.8478 12615.5470 13531.5055 13318.4523 13194.1273 13707.5777 14.43_571.1571m/z 571.1571 14.43 3382.5744 3336.9646 3621.9601 3579.4543 3447.1054 3549.6010 14.44_261.1397m/z 261.1397 14.44 1097.1494 1039.7804 1124.4557 1107.8055 1080.1199 1048.9992 14.44_277.2106m/z 277.2106 14.44 24396.7534 23624.2812 25126.5049 23911.7087 24394.8161 24632.4126 14.44_351.1811m/z 351.1811 14.44 3397.3945 3453.6527 3191.6949 3225.0464 3344.8149 3396.6437 14.44_727.2922m/z 727.2922 14.44 243.2815 153.0198 207.9002 186.7045 167.5928 231.9192 14.45_205.1161m/z 205.1161 14.45 618.7260 508.5112 534.3429 535.3253 532.0694 403.9615 14.45_349.2287m/z 349.2287 14.45 23848.0667 24143.2907 22296.8971 24628.5706 24905.5083 26470.1772 14.45_373.2204m/z 373.2204 14.45 16370.9493 17360.9203 16287.9486 18360.1237 18084.5813 19433.5322 14.46_191.1059m/z 191.1059 14.46 345.9198 356.7033 286.1423 295.4803 324.5905 184.1840 14.46_372.2738n 395.2704 14.46 23960.3289 28051.5755 25913.5740 31651.8271 29252.5788 30078.8417 14.46_531.2270m/z 531.2270 14.46 5168.7439 5090.4417 5115.6769 5052.6189 5047.2465 5135.2285 14.47_357.2627m/z 357.2627 14.47 20124.4792 19934.1738 20375.8265 20370.4231 20565.6897 20708.1492 14.47_415.2740m/z 415.2740 14.47 9667.1114 9846.4309 9815.7304 9995.4306 9817.0723 10036.4797 14.47_477.2432m/z 477.2432 14.47 7043.0606 6866.7569 7464.7722 7509.9986 7451.7102 7436.8648 14.48_405.2498m/z 405.2498 14.48 2353.8901 2563.0925 2178.4021 2926.9812 2402.4276 2698.7260 14.48_737.4904m/z 737.4904 14.48 2798.6398 2750.2351 2504.4023 2691.2708 2534.1095 2744.3817 14.49_232.1671m/z 232.1671 14.49 1155.6490 1059.7709 1143.4222 1178.8476 1074.6406 1066.3728 14.51_327.2265m/z 327.2265 14.51 14895.2774 14767.6482 14904.2697 15015.4982 14935.2980 14828.8777 C20H32O2 Drostanolone 34838 HIGH 14.52_388.3889m/z 388.3889 14.52 1465.0642 1462.9181 1508.2385 1425.5216 1331.1690 1416.9155 14.52_428.3651m/z 428.3651 14.52 1765.0266 1965.7086 1719.3796 2128.3488 1930.3636 1781.5500 14.53_247.1444m/z 247.1444 14.53 764.0084 737.6436 740.6307 787.2247 737.5544 760.4031 14.53_323.2140m/z 323.2140 14.53 13189.4154 13135.6639 13831.4159 13163.3106 13136.1349 13441.5162 14.53_487.2786m/z 487.2786 14.53 2636.1731 2664.0006 2786.4955 2902.8867 2712.1581 2842.4753 14.54_173.1299m/z 173.1299 14.54 274.0623 306.3563 242.9465 257.1243 194.1936 239.4060 14.54_255.0885m/z 255.0885 14.54 4392.0968 4366.2932 4599.7690 4495.0516 4676.6415 4565.1928 14.54_277.0674m/z 277.0674 14.54 925.7093 839.6805 887.5504 860.0943 927.3503 892.0765 14.54_309.2053m/z 309.2053 14.54 43840.0472 41233.3117 46609.0806 41686.2841 43385.6209 43149.9228 14.54_455.3037m/z 455.3037 14.54 2933.0113 2927.9598 2960.4367 2899.0560 2955.9519 2925.3422 14.56_128.0598m/z 128.0598 14.56 701.5874 759.9289 741.1296 690.6912 672.2651 656.8866 14.56_157.0956m/z 157.0956 14.56 677.3166 693.9388 695.5576 699.4146 650.0905 579.4896 14.56_201.1140m/z 201.1140 14.56 340.6518 363.1572 402.1768 432.3046 429.1237 474.3845 14.56_278.6333m/z 278.6333 14.56 3496.1199 4001.3368 3542.5929 4460.9657 3932.5893 3668.8080 14.56_320.2308n 343.2198 14.56 82378.0376 82718.8747 81636.5624 83651.3005 83307.0809 81456.8202 14.56_356.1421m/z 356.1421 14.56 2680.0015 2663.7145 2553.0528 2439.9164 2510.4336 2479.2161 14.56_359.1872m/z 359.1872 14.56 14340.4901 14074.4705 14280.2204 14029.4416 14168.1867 13847.6203 14.56_365.1990m/z 365.1990 14.56 6387.2853 6238.0513 6339.0809 6296.2033 6170.8009 6158.4181 14.56_367.1400m/z 367.1400 14.56 1310.5448 1209.3291 1148.8889 1245.0632 1092.2139 1018.2155 14.56_520.3081m/z 520.3081 14.56 5721.2207 5766.8169 6097.9404 6328.7466 6051.5508 5879.1005 14.56_540.2994m/z 540.2994 14.56 18628.8741 20396.9176 18924.2515 22504.9680 20383.7823 19499.8783 14.56_679.4089m/z 679.4089 14.56 449.6638 454.4673 415.6082 395.8834 433.5773 434.5938 14.57_207.1176m/z 207.1176 14.57 181.7920 117.7881 146.9969 158.9221 139.0074 160.7133 14.57_275.1860m/z 275.1860 14.57 8345.9990 8007.1438 8396.1497 7787.0436 7904.5624 8166.5397 14.57_557.2954m/z 557.2954 14.57 4482.9025 4518.7164 4658.4512 4754.7544 4457.6200 4407.3644 14.58_302.6193m/z 302.6193 14.58 231.8688 317.1606 200.2116 312.6345 297.0669 231.5231 14.58_306.6205n 290.6357 14.58 3970.8751 4637.8391 3939.8457 5031.0421 4655.8502 4200.5175 14.58_321.6109n 344.5919 14.58 1265.9632 1474.3593 1152.6015 1533.7254 1485.8789 1344.1571 14.58_356.5836n 340.5818 14.58 764.2403 860.2373 629.6702 894.3298 802.1116 765.8141 14.58_357.2738m/z 357.2738 14.58 13365.7215 13559.2582 13752.1259 14016.2764 13656.4381 13881.7273 14.58_415.2756m/z 415.2756 14.58 13582.5113 13641.8579 14003.2431 13894.7557 13783.7807 13753.8870 14.58_431.2331m/z 431.2331 14.58 7727.6992 7906.4916 8023.9160 8260.1617 8114.3926 8134.3834 14.58_564.2983m/z 564.2983 14.58 10099.7763 12125.7343 10502.5149 13828.8861 12232.6332 11653.2787 14.59_104.1062m/z 104.1062 14.59 224.9946 269.6546 213.1155 272.1839 258.7961 213.4627 14.59_264.2644m/z 264.2644 14.59 3093.8816 3434.0891 3217.8084 3681.4367 3412.0499 3137.0344 14.59_270.1458n 253.1426 14.59 6945.6804 6737.8411 6822.0165 6749.2444 6947.5480 6705.3085 14.59_284.2250n 267.2217 14.59 21090.5183 20147.7587 21311.3672 20724.2158 21252.7082 20978.4603 14.59_293.6140m/z 293.6140 14.59 1202.2430 1409.1675 1110.4005 1507.8355 1399.6958 1308.3510 14.59_335.6109m/z 335.6109 14.59 223.2516 254.3889 192.3788 275.5541 240.3422 209.4786 14.59_626.2581m/z 626.2581 14.59 3390.4034 3533.1133 3299.0958 3777.1197 3318.1840 3117.4642 14.59_640.2404m/z 640.2404 14.59 756.2532 690.1011 595.4201 690.7680 635.2931 707.0285 14.60_261.1780m/z 261.1780 14.60 2726.1401 2831.0625 3199.6155 2819.8987 3016.2924 2681.4919 14.60_283.1958m/z 283.1958 14.60 8304.3163 8424.5192 8862.3859 8537.1695 8997.9596 8493.8638 14.60_537.2858m/z 537.2858 14.60 11798.9618 12166.3793 11932.4412 13165.2203 12109.3748 12117.7519 14.61_281.6172m/z 281.6172 14.61 1182.8995 1399.8036 1157.3985 1529.5290 1449.8722 1327.8738 14.62_273.1012m/z 273.1012 14.62 1754.2297 1649.5152 1877.3561 1767.3556 1795.0211 1731.5450 14.62_329.1654m/z 329.1654 14.62 6194.3362 6086.9283 6988.1768 6693.3698 6755.6405 6483.4529 C14H21N3O3S Tolazamide 156131 MEDIUM 14.62_402.2179n 425.2108 14.62 189765.6004 183270.9901 198398.7497 184111.2055 194763.5345 190792.5521 14.62_487.2013m/z 487.2013 14.62 4010.8829 4086.0695 4061.3531 4103.2560 4005.0171 3936.4477 14.62_500.2693m/z 500.2693 14.62 3546.7695 3717.3477 3752.8144 3893.9262 3676.1118 3542.8008 14.62_511.3101n 512.3173 14.62 4105.3910 4162.6478 4436.2360 4629.6230 4203.8278 3721.8878 14.62_827.4321m/z 827.4321 14.62 1305.3555 1236.0624 1342.0055 1233.9573 1352.9346 1389.3633 14.63_206.1232m/z 206.1232 14.63 293.3107 272.4817 259.3053 245.6859 249.5342 238.4135 14.63_269.1544m/z 269.1544 14.63 5534.8861 5419.8669 5787.4741 5377.8265 5449.8408 5182.1663 C18H20O2 Equilin 42309 MEDIUM 14.63_372.2762n 395.2713 14.63 73179.4734 86805.4078 77493.6148 95342.2233 88475.1556 89236.9151 14.63_603.3926m/z 603.3926 14.63 2132.0675 1928.4282 1973.7400 1851.9804 1977.8490 1893.9110 14.64_240.1612n 223.1579 14.64 2543.2988 2386.5765 2436.1494 2453.6791 2620.6973 2435.3883 C16H20N2 Costaclavine MEDIUM 14.64_242.1166n 265.0929 14.64 2004.0413 1945.8468 2052.1744 2126.0833 2248.0030 2006.0024 14.64_256.1321n 239.1288 14.64 20279.7042 20022.8388 21181.8550 20268.6544 20779.7927 20056.3073 14.64_263.0942m/z 263.0942 14.64 1723.5306 1719.6128 1871.5885 1673.0772 1764.0835 1671.7188 14.64_272.1773n 295.1928 14.64 9710.1461 9361.6237 9994.9021 9295.7363 9573.5357 9344.8282 C18H24O2 17a-Estradiol 17160 HIGH 14.64_286.1207m/z 286.1207 14.64 1071.2044 1098.3081 1116.7872 1011.1171 1056.0012 1060.0236 14.64_306.1198m/z 306.1198 14.64 1163.2192 1227.0112 1219.6511 1144.0819 1175.8828 1064.4848 14.64_643.1948m/z 643.1948 14.64 1634.5080 1605.6052 1677.8986 1859.7264 1761.8474 1500.9245 14.64_689.3776m/z 689.3776 14.64 1168.2306 1374.7575 1351.9545 1373.5973 1237.9575 1204.8776 14.65_247.0994m/z 247.0994 14.65 675.3105 678.9886 750.1917 681.6063 685.4448 628.0259 14.65_257.2234m/z 257.2234 14.65 734.8476 761.4049 838.8890 851.6232 828.5181 798.1613 14.65_473.2407m/z 473.2407 14.65 11178.4911 11153.5114 11332.2569 11603.2757 11298.2198 11043.0141 14.65_535.2300m/z 535.2300 14.65 6087.7588 6162.6679 6214.8640 6318.7232 6125.9193 5898.8058 14.65_625.3703m/z 625.3703 14.65 1253.8511 1235.2071 1275.1271 1358.0357 1176.6713 1406.7103 14.65_715.3362m/z 715.3362 14.65 650.3390 671.7213 752.1225 637.6255 651.3470 787.4174 14.66_228.2307m/z 228.2307 14.66 277.9275 208.4307 277.2657 238.3289 277.6798 265.8953 14.66_321.0944m/z 321.0944 14.66 823.5121 850.4554 821.9156 1001.7211 912.4272 837.6297 14.66_327.5705m/z 327.5705 14.66 76.0893 120.0816 84.4547 93.2379 97.2122 87.8570 14.66_79.0131m/z 79.0131 14.66 256.8788 252.8656 278.7309 277.4997 261.6555 286.2932 H4N2O4 Hydroxylammonium nitrate MEDIUM 14.67_157.5361m/z 157.5361 14.67 243.6635 303.9258 277.8473 357.2908 316.2843 306.3982 14.67_265.6169m/z 265.6169 14.67 213.8161 232.8567 251.4996 289.5513 307.3507 239.6482 14.67_266.6367m/z 266.6367 14.67 9262.7348 10530.3960 9490.5541 11432.5363 10427.3871 9455.0717 14.67_269.6165m/z 269.6165 14.67 2391.9744 2737.1739 2476.3681 3171.9519 2880.6901 2507.2296 14.67_274.6222m/z 274.6222 14.67 401.4848 478.3438 415.7291 530.1155 444.3977 367.4594 14.67_274.6346n 257.6313 14.67 1505.6258 1609.7316 1471.1856 1877.7678 1593.8028 1468.4771 14.67_297.6144n 320.5958 14.67 2367.7847 2649.6971 2439.5257 2904.1711 2702.5855 2334.8271 14.67_315.5820m/z 315.5820 14.67 1044.9909 1154.6133 1179.6447 1359.3836 1225.8097 1024.5374 14.67_320.6308n 304.6294 14.67 307.8652 366.4588 301.0018 390.3012 380.0124 337.4325 14.67_324.5976n 308.6082 14.67 651.2998 695.9373 593.5812 744.0666 621.5796 552.6672 14.67_327.6393n 328.5815 14.67 1507.6091 1759.1946 1620.2671 1916.3137 1535.0629 1481.1162 14.67_332.5885m/z 332.5885 14.67 1984.3286 2211.7420 2088.4355 2625.0787 2317.8823 2091.0516 14.67_493.3111n 494.3184 14.67 110275.8979 126434.9265 112689.4770 142620.6853 126707.8572 114097.4631 14.67_513.7893m/z 513.7893 14.67 175.6426 221.2023 203.8498 272.7381 201.3359 143.8106 14.67_578.2629m/z 578.2629 14.67 11525.9652 12107.2645 11727.9131 12808.4038 11825.7717 11522.7104 14.67_614.2001m/z 614.2001 14.67 1177.0770 1209.2031 1050.2491 1319.3772 1077.1888 949.0843 14.68_155.0391m/z 155.0391 14.68 303.7359 282.1598 304.4404 239.3601 260.9975 242.9141 14.68_527.2884m/z 527.2884 14.68 9225.1343 9394.8740 9727.9304 9608.3074 9402.1464 9043.9080 14.68_669.4013m/z 669.4013 14.68 1309.8248 1334.8562 989.0035 1124.2838 976.8309 1007.7962 14.69_685.4911m/z 685.4911 14.69 433.1728 356.7480 532.9764 437.9013 487.7667 607.9078 14.69_713.4275m/z 713.4275 14.69 709.9040 771.9220 757.5186 846.8593 731.0873 955.6062 14.70_128.0603m/z 128.0603 14.70 328.8520 355.3054 334.2183 407.9651 364.4084 346.6607 14.70_130.0770n 153.0639 14.70 661.7791 712.4062 662.7935 602.0709 654.3190 547.3797 14.70_168.0836n 169.0978 14.70 289.6941 316.1068 240.6565 324.4456 302.3243 246.7784 14.70_174.0988n 157.0955 14.70 689.2904 642.5565 661.7776 642.3674 650.5427 590.0792 14.70_284.2204n 267.2171 14.70 12345.9196 12264.9682 12536.6716 12737.7695 12480.1537 12100.0325 14.70_303.2282m/z 303.2282 14.70 27110.3661 27112.0657 26955.8793 27920.9463 27106.5828 25612.2154 14.70_342.2031n 343.2104 14.70 73516.7155 72957.7931 73868.4324 75379.4965 74062.1085 74958.2912 14.70_346.2435n 369.2329 14.70 26996.4541 26938.6165 27570.4116 27798.8112 27214.2719 28503.7608 14.70_356.1426m/z 356.1426 14.70 3463.8240 3513.3812 3498.9448 3453.5044 3426.2314 3340.7723 14.70_358.1814n 359.1925 14.70 20409.2355 19989.2121 20793.2972 20643.9985 20267.6915 20137.4634 C21H26O5 Prednisone Prednisone 8382 HIGH 14.70_367.1479m/z 367.1479 14.70 4190.2796 4155.6097 4299.7648 4420.0158 4361.9764 3997.8961 14.70_385.2087m/z 385.2087 14.70 14315.4299 13883.6853 15536.2488 15231.5604 15382.7979 15615.1808 14.70_623.3242m/z 623.3242 14.70 3971.5560 4070.8876 3899.7498 4209.4959 4131.2072 4086.2047 14.71_757.4515m/z 757.4515 14.71 434.2422 505.3409 598.5941 546.8321 641.1828 683.5899 14.72_170.9557m/z 170.9557 14.72 285.0236 290.8986 278.8651 241.4049 167.5038 189.8927 14.72_430.2883n 431.2956 14.72 28915.2089 29410.7394 29694.4073 29487.9134 28976.8697 29799.5521 14.73_117.0694m/z 117.0694 14.73 271.0135 290.2486 282.6857 246.9575 250.3246 274.9004 C9H8 Indene 33051 MEDIUM 14.73_118.0817m/z 118.0817 14.73 130.1740 113.6130 117.2047 112.1517 111.9538 89.5433 14.73_337.1550m/z 337.1550 14.73 15145.0408 14723.4565 15549.5058 14664.3322 15410.0677 16058.0672 14.73_397.2886m/z 397.2886 14.73 23452.6905 28152.7850 23429.4615 29680.1490 26808.9503 28390.1462 14.73_411.2746m/z 411.2746 14.73 3122.1628 2930.9750 3261.3603 3019.7689 2964.5900 3277.4590 14.75_400.3714m/z 400.3714 14.75 714.1472 815.2650 737.1655 652.8148 562.1213 652.7632 14.76_228.2308m/z 228.2308 14.76 862.3352 851.3473 906.4957 780.1783 794.8917 841.6503 14.76_291.2196m/z 291.2196 14.76 14748.1579 14609.4286 16113.9905 15729.2103 15896.5031 15838.3496 14.76_457.2378m/z 457.2378 14.76 6278.6409 6234.4741 6454.0556 6318.6564 6218.3878 6254.2154 14.78_287.1938m/z 287.1938 14.78 2965.6047 2739.8045 2900.5362 2793.3134 2789.5682 2773.5336 14.78_301.2134m/z 301.2134 14.78 1179.2312 1230.4896 1260.7663 1248.3889 1345.7313 1235.8291 14.79_444.4004m/z 444.4004 14.79 1437.2214 1462.5966 1458.6268 1350.0506 1468.5377 1501.3318 14.80_149.5475m/z 149.5475 14.80 319.6112 342.9772 341.3052 395.5477 338.4587 296.1784 14.80_184.0719m/z 184.0719 14.80 3674.2238 3968.9945 3566.6641 4209.3793 3991.2250 3780.7158 14.80_212.0252m/z 212.0252 14.80 251.3804 202.4694 245.8212 288.6750 229.4990 280.5025 14.80_240.0978m/z 240.0978 14.80 5352.4752 5805.7587 5245.5272 6239.6981 5640.5555 5356.2282 14.80_254.6150m/z 254.6150 14.80 213.4248 223.2434 170.6797 223.3887 228.9649 197.4742 14.80_271.6555m/z 271.6555 14.80 1742.4578 1912.6366 1549.6770 1933.7469 1810.9566 1686.0778 14.80_272.1574m/z 272.1574 14.80 1710.7680 1675.5811 1657.0567 1780.9268 1605.6349 1614.7062 14.80_279.6440m/z 279.6440 14.80 12040.1399 13330.2841 11769.4847 14089.5710 13088.3798 12155.0372 14.80_283.1246m/z 283.1246 14.80 1154.2902 1375.9393 1226.3713 1545.9011 1416.8120 1298.4817 14.80_283.2213m/z 283.2213 14.80 8226.4924 7888.9201 8217.4720 7956.9349 7831.3440 8026.2652 14.80_287.6303m/z 287.6303 14.80 953.4721 1066.3151 1018.5510 1255.5921 1159.9524 1006.1658 14.80_299.6271n 282.6238 14.80 3335.6862 3722.2930 3384.2367 4140.0234 3867.0353 3512.2611 14.80_310.6207n 333.6035 14.80 7558.6468 8289.8142 7413.1759 8433.9870 7990.5608 7384.4680 14.80_313.6278m/z 313.6278 14.80 896.9123 1006.1642 1042.3423 1216.0891 1153.2533 1019.0805 14.80_321.6122m/z 321.6122 14.80 1503.7182 1538.8905 1325.5062 1556.7744 1474.5064 1285.7506 14.80_325.1367m/z 325.1367 14.80 1454.6023 1491.8039 1429.8635 1446.5164 1461.0120 1365.0514 14.80_328.5890m/z 328.5890 14.80 2884.6813 3024.5277 2703.2021 3166.0924 2963.7446 2665.5849 14.80_347.0987m/z 347.0987 14.80 2166.0441 2154.1876 2101.6200 2228.4070 2300.4125 2050.2814 14.80_483.2546m/z 483.2546 14.80 6478.5953 7093.0528 7499.3426 8467.2795 7892.8191 7209.5044 14.80_526.7960m/z 526.7960 14.80 151.8756 112.7415 125.9940 153.4465 139.1049 82.4894 14.80_531.8071m/z 531.8071 14.80 474.4061 537.3122 316.4334 632.0115 471.7911 313.9544 14.80_555.8286n 539.8060 14.80 1038.4137 1216.8910 861.3989 1459.8878 1104.0799 1092.4146 14.80_563.7902n 581.7677 14.80 568.7107 863.6265 604.5391 890.5636 668.7186 472.2076 14.80_564.2971m/z 564.2971 14.80 4888.4072 5297.0142 5008.2873 6042.2922 5332.3146 5050.2963 14.80_579.7814n 562.7781 14.80 138.4314 286.8404 66.6375 314.3746 180.1498 155.6577 14.80_599.2519n 600.2573 14.80 8208.1700 8901.6980 7892.7047 9323.3817 8539.2450 8161.3245 14.80_618.2278m/z 618.2278 14.80 1968.8125 2177.4214 1797.6815 2204.3030 1978.6438 1864.8795 14.80_620.2321m/z 620.2321 14.80 2307.2020 2489.7660 2286.8615 2587.6985 2463.2436 2342.0172 14.80_649.2623n 632.2590 14.80 8106.0701 8853.0648 8168.5655 9301.9292 8665.6173 8346.8346 14.80_680.1945m/z 680.1945 14.80 965.8251 1081.3693 862.5163 1203.6961 1017.1449 1017.1776 14.80_682.2046m/z 682.2046 14.80 1389.0973 1336.1472 1250.4728 1659.2561 1444.7471 1165.1201 14.80_686.2060m/z 686.2060 14.80 1104.4452 1201.3579 1115.2651 1242.4121 1137.2783 1004.7325 14.80_689.2373n 690.2031 14.80 3405.6984 3632.7737 3373.6401 4010.9488 3410.8449 3025.2989 14.80_695.2027n 696.2313 14.80 2976.5048 3078.6464 2788.5557 3545.5060 2948.1682 2831.9436 14.80_744.1681m/z 744.1681 14.80 456.5874 477.4320 395.9188 589.6331 458.7034 364.3444 14.80_746.1677m/z 746.1677 14.80 453.9217 644.7154 552.1299 766.2948 626.0227 541.3107 14.80_747.1596n 748.1688 14.80 840.5944 992.3560 771.8711 1013.3898 945.9683 753.3342 14.80_754.1870m/z 754.1870 14.80 548.0410 728.7509 581.4986 817.7190 718.2576 682.6807 14.80_755.1783n 756.1874 14.80 1068.0607 1309.8755 962.4535 1230.9374 992.6185 920.9430 14.81_551.7990m/z 551.7990 14.81 1068.6811 1193.1461 952.6722 1424.8209 1291.5703 1083.2320 14.81_587.7723n 588.7581 14.81 337.4806 527.5541 362.4145 712.3956 481.7969 459.6777 14.81_688.2059m/z 688.2059 14.81 1117.2003 1263.5849 932.1825 1272.4887 1214.2782 954.7308 14.81_693.2041n 676.2008 14.81 2062.8493 2278.8443 1823.1698 2383.3658 2118.6899 1696.4693 14.81_704.1824m/z 704.1824 14.81 1334.4871 1373.9992 1161.5224 1516.5519 1428.2312 1287.2729 14.81_714.2032m/z 714.2032 14.81 963.6521 1128.6385 875.9159 1209.7644 990.7011 920.2833 14.81_718.2001m/z 718.2001 14.81 676.3238 754.0127 624.0419 817.8759 767.2816 614.6587 14.82_329.1680m/z 329.1680 14.82 8577.9457 8304.7769 8523.6759 8230.4663 8191.3801 8216.2985 C19H24N2OS Methotrimeprazine 6838 MEDIUM 14.82_341.5875m/z 341.5875 14.82 2131.3504 2281.8019 2078.0336 2415.0684 2235.2654 2039.1632 14.82_563.7944m/z 563.7944 14.82 630.2565 831.4103 598.5631 956.4131 711.7945 580.0822 14.82_626.2494m/z 626.2494 14.82 806.1244 961.1422 761.8504 887.0603 832.6189 854.2428 14.82_700.1917m/z 700.1917 14.82 696.1205 786.1097 597.4933 837.1652 730.6205 673.8572 14.82_710.2024m/z 710.2024 14.82 816.7070 854.0209 661.4367 798.5164 740.0475 630.9122 14.82_710.4732m/z 710.4732 14.82 151.6615 53.4011 135.5049 86.5938 88.7269 143.9993 14.82_719.1844n 702.1811 14.82 1695.8219 1754.8526 1276.5370 1849.9541 1585.5668 1384.3276 14.82_795.5348m/z 795.5348 14.82 2650.9942 2663.0519 2503.0805 2765.7828 2530.9039 2565.3544 14.83_246.6380m/z 246.6380 14.83 118.7533 152.7653 149.1437 171.3942 123.4525 108.3758 14.83_283.6532m/z 283.6532 14.83 1176.8896 1304.1400 839.8562 1011.2587 989.6712 955.6351 14.83_290.6664n 291.6433 14.83 8325.2336 9376.3107 8176.2069 9748.5281 9133.9502 8481.7015 14.83_294.6228m/z 294.6228 14.83 2900.5748 3150.6747 2788.9836 3267.8724 3131.7871 2759.5754 14.83_299.6298m/z 299.6298 14.83 362.4283 505.6261 358.2485 482.2475 354.9842 349.1585 14.83_322.6157n 345.5973 14.83 8080.5537 8730.2892 7966.8833 9295.7934 8610.4889 8017.1922 14.83_327.0809m/z 327.0809 14.83 257.8324 243.9271 140.3292 235.6358 163.8899 157.4439 14.83_341.2011m/z 341.2011 14.83 6736.6590 6866.3959 6805.3126 6818.1219 6705.7483 7016.0045 14.83_357.5917m/z 357.5917 14.83 1907.5289 2081.3396 1782.4276 2113.7208 1900.5072 1785.3695 14.83_369.5932m/z 369.5932 14.83 296.0524 311.7623 185.0905 223.5217 223.2036 185.6742 14.83_567.3178m/z 567.3178 14.83 14040.8721 15874.2858 13844.9492 17058.8830 15338.0965 14963.8436 14.83_575.7846m/z 575.7846 14.83 398.8352 359.9368 261.4991 524.0479 377.2695 249.6718 14.83_588.2940m/z 588.2940 14.83 7044.6140 7379.8362 7201.7543 7713.2573 7266.3583 7131.7678 14.83_590.3063m/z 590.3063 14.83 13457.3960 14280.9433 13715.5129 15421.5254 14222.2015 13734.8685 14.83_652.2432m/z 652.2432 14.83 3253.5707 3453.0794 3199.5265 3730.6999 3288.7779 3130.4832 14.83_656.2455m/z 656.2455 14.83 690.4816 711.7461 634.8840 898.0551 662.7532 681.6832 14.83_666.2148m/z 666.2148 14.83 2228.3479 2170.8208 1725.1328 2262.7906 1960.9623 1819.6834 14.84_157.5367m/z 157.5367 14.84 309.5783 323.8199 286.4446 326.4702 323.5211 262.1179 14.84_251.6310m/z 251.6310 14.84 285.6954 339.2218 263.4400 333.5642 325.7095 254.4625 14.84_260.6369m/z 260.6369 14.84 2009.2580 2150.3564 2070.1718 2285.2547 2254.3617 1816.3331 14.84_261.1316m/z 261.1316 14.84 1777.0990 1755.6721 1871.5006 1905.1394 1792.5133 1703.8373 C11H18N4O2 Pirimicarb Pirimicarb 8248 MEDIUM 14.84_280.6171n 303.6404 14.84 2416.9541 2653.0607 2330.5210 2727.3095 2554.8595 2349.0595 14.84_289.5892m/z 289.5892 14.84 135.5203 165.9034 116.9812 117.3542 131.2203 90.4470 14.84_307.6127m/z 307.6127 14.84 311.1445 311.3895 274.2453 283.5741 220.2931 254.9497 14.84_309.5923m/z 309.5923 14.84 516.6172 579.1172 482.9631 610.9218 598.1186 494.7841 14.84_353.5859m/z 353.5859 14.84 811.4397 900.1337 634.2653 864.3034 803.0826 752.8686 14.84_499.3218n 482.3186 14.84 19689.5924 21799.1610 19848.5574 23151.7140 21420.1155 18384.0022 14.84_504.3005m/z 504.3005 14.84 18422.0378 19993.3106 18731.6137 21703.1286 20025.4280 18400.6080 14.85_307.1111m/z 307.1111 14.85 152.7439 137.3152 79.8174 183.3718 116.4717 112.7156 14.85_313.2100m/z 313.2100 14.85 10256.7737 10265.0650 10235.2114 10202.4084 9683.3996 9655.5119 14.86_150.1123m/z 150.1123 14.86 186.0207 196.0510 173.5432 122.8392 138.6098 200.0459 C6H15NO3 Triethanolamine Triethanolamine 28621 MEDIUM 14.86_301.5900m/z 301.5900 14.86 580.9477 666.0608 531.7386 663.1146 620.2226 535.4698 14.86_501.2840n 502.2913 14.86 15131.0251 15923.7471 14452.7650 15824.2724 15445.8072 14877.3494 14.87_548.2594m/z 548.2594 14.87 12688.4002 12697.7078 12792.6556 13323.6763 12809.2935 12448.1939 14.88_331.2214m/z 331.2214 14.88 36746.4917 35908.0841 36922.1218 36171.1641 36443.2599 37760.1588 14.89_161.0967m/z 161.0967 14.89 367.2004 376.2953 416.2480 389.8009 421.5480 332.3232 C11H14O2 Methyleugenol Methyleugenol 4918 MEDIUM 14.89_759.3330m/z 759.3330 14.89 439.2884 427.4944 391.5330 447.5251 386.0798 472.6764 14.90_285.2391m/z 285.2391 14.90 3455.5929 3956.9521 3545.2375 4305.7404 3730.1455 4010.7664 14.90_326.2350m/z 326.2350 14.90 12454.4134 13260.5464 12906.0915 14186.2073 13279.1179 13863.5384 14.90_371.2316m/z 371.2316 14.90 5571.8346 5707.2474 5387.3752 5592.3529 5541.9447 5985.1984 14.90_387.2086m/z 387.2086 14.90 15453.8943 15495.8643 15439.2058 15976.5320 15551.4389 17056.4988 14.91_281.2420m/z 281.2420 14.91 16016.6631 14717.2190 16051.2359 14744.6465 15355.3080 15552.4373 C18H35NO2 Spiroxamine 9242 MEDIUM 14.91_355.2190m/z 355.2190 14.91 11856.7515 12849.3523 11574.6611 13942.1355 13099.6614 14698.0572 14.91_439.2830m/z 439.2830 14.91 1414.1117 1634.2319 1624.1716 1748.9526 1672.3432 1704.4736 14.92_307.2226m/z 307.2226 14.92 14199.7139 13354.9263 14502.3578 13153.1486 13650.7069 14050.6942 14.93_238.8835m/z 238.8835 14.93 1437.6557 1300.5566 1294.7421 1152.8419 1207.6101 1248.2196 14.93_358.2173n 359.2246 14.93 11690.6341 11540.7817 10553.0814 10880.6681 11163.0933 11190.9198 C22H30O4 Cafestol acetate HIGH 14.93_547.3430m/z 547.3430 14.93 1330.4478 1466.3611 1462.6469 1984.0557 1728.0451 1846.7133 14.94_265.1461m/z 265.1461 14.94 3417.6702 3125.2971 3407.3148 2932.5531 3136.3470 3158.3536 C15H22O5 Octyl gallate MEDIUM 14.94_315.1570m/z 315.1570 14.94 2147.0662 1866.5478 2142.7196 1928.4668 2037.3544 2005.0548 14.94_375.2472m/z 375.2472 14.94 11636.6402 10867.9256 11822.3680 10639.9057 11371.9680 12329.2779 14.95_310.6289m/z 310.6289 14.95 927.2889 865.7599 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15.00_352.5900m/z 352.5900 15.00 318.0078 269.4172 297.6189 285.3693 251.3772 258.4719 15.00_364.6042m/z 364.6042 15.00 923.1478 814.9273 887.0502 774.5516 919.4177 833.7820 15.00_388.5109m/z 388.5109 15.00 791.8520 746.6370 731.5801 675.5424 711.5126 723.6976 15.00_507.2446m/z 507.2446 15.00 13388.0981 13476.8793 14735.9876 15042.9485 14141.0685 15543.1217 15.00_520.4177m/z 520.4177 15.00 2570.8218 3333.1765 3521.4879 3835.1190 2824.9723 3467.4934 15.00_588.2915m/z 588.2915 15.00 15931.2340 15968.6934 16265.4752 16415.3885 16258.2521 16253.2105 15.00_590.3142m/z 590.3142 15.00 40523.4714 41129.2688 40664.2170 43649.6764 42166.2135 42815.4945 15.00_594.2508m/z 594.2508 15.00 16517.9291 16137.2278 16802.5948 16355.1866 16465.2945 16048.7691 15.00_617.2592n 600.2559 15.00 19543.3072 18959.4664 19670.8153 18886.8532 19152.7108 18878.6818 15.00_622.7458m/z 622.7458 15.00 4511.9068 4369.4763 4742.7764 4073.2066 4604.9083 4295.1269 15.00_628.7515n 612.7464 15.00 6292.1197 5678.6526 6453.6510 6195.0826 6250.5268 6113.7295 15.00_777.9503m/z 777.9503 15.00 744.2473 842.9988 596.2184 1100.6730 863.4552 523.3327 15.00_875.9167m/z 875.9167 15.00 12073.1949 12427.7656 11732.7180 12814.8368 12666.3982 12387.4458 15.00_903.3941m/z 903.3941 15.00 3930.3023 3743.6300 3805.9737 4127.1685 3578.2035 3523.0680 15.00_910.3879m/z 910.3879 15.00 1091.6910 999.1892 618.3521 894.8332 629.0303 757.7597 15.00_929.4282n 913.4056 15.00 6808.3964 7212.9777 6617.4019 7314.2096 6941.3343 6968.8056 15.00_938.4260n 922.4034 15.00 5157.3592 4962.4767 4359.0568 5171.3768 4190.7799 4675.9278 15.00_941.3888m/z 941.3888 15.00 3509.6493 3267.5045 3185.3844 2715.8307 2816.0050 3114.1670 15.00_997.6039m/z 997.6039 15.00 2603.4466 3096.9365 2000.7104 2723.8411 2386.6842 2142.1096 15.01_307.1163m/z 307.1163 15.01 204.7236 130.4526 237.0492 206.0163 165.8847 202.4515 15.01_345.5947m/z 345.5947 15.01 10535.7591 10114.3596 10925.6606 10245.6218 10646.5063 10586.3103 15.01_346.1071m/z 346.1071 15.01 1850.6624 1792.3707 2086.2859 2001.9765 2030.5751 1936.9148 15.01_353.5883m/z 353.5883 15.01 1389.7346 1356.3272 1278.3306 1208.3311 1311.1412 1315.3635 15.01_357.5924m/z 357.5924 15.01 3502.7215 3172.4359 3371.6111 3161.9786 3345.4321 3228.1480 15.01_369.5989m/z 369.5989 15.01 548.2699 581.0932 618.3964 459.7158 503.1817 443.1741 15.01_477.2821n 478.2894 15.01 46845.5624 48669.6287 48119.3997 51562.6406 49036.5262 44957.0066 15.01_512.7267m/z 512.7267 15.01 361.7668 336.0739 371.9085 418.1369 354.0235 317.1523 15.01_525.7702m/z 525.7702 15.01 469.2652 539.7490 497.3626 696.5993 565.7526 469.6167 15.01_536.7278n 537.7705 15.01 1513.0186 1587.9789 1617.7826 1963.9822 1631.5068 1439.8162 15.01_542.7882m/z 542.7882 15.01 1856.3643 1936.5363 1811.1199 2159.7195 2031.1833 1786.8854 15.01_635.7387m/z 635.7387 15.01 1811.7815 1779.8777 1878.2648 1565.1907 1743.6534 1486.8187 15.01_674.2386m/z 674.2386 15.01 2187.7355 1967.6336 2295.4138 2175.7610 2292.3479 2136.8948 15.01_789.9462m/z 789.9462 15.01 777.1725 946.6345 715.9432 1173.6737 916.4149 629.0806 15.01_795.4039m/z 795.4039 15.01 618.2084 797.7738 550.0536 883.9972 743.1989 609.0515 15.01_796.9540n 780.9314 15.01 413.5195 697.6884 361.5065 657.5728 539.8185 280.4021 15.01_797.4035n 781.3810 15.01 3661.9627 3897.5318 3525.8185 4310.2638 3916.0505 3274.1133 15.01_965.3889m/z 965.3889 15.01 508.0234 507.3443 538.6493 590.1297 339.3174 652.7070 15.02_309.2332m/z 309.2332 15.02 14775.0903 13386.7861 14073.9983 13245.3629 13558.4861 14688.4635 15.02_473.1937m/z 473.1937 15.02 2332.3309 2343.1068 2828.0375 2991.1899 3028.1382 2741.8005 15.02_479.1793m/z 479.1793 15.02 10417.9452 10829.2212 10995.7336 11416.1683 11003.9792 10507.3512 15.02_497.1982m/z 497.1982 15.02 17061.9868 18831.6080 22928.5862 26137.9091 23858.2931 19280.3813 15.02_501.2902n 502.2975 15.02 51120.1313 54256.0390 52046.9495 57521.5787 53600.8873 51599.9956 C32H39NO4 Paspalitrem A MEDIUM 15.02_526.2922m/z 526.2922 15.02 23180.5883 24182.7478 23457.3230 25594.3100 23961.1077 22137.9363 15.02_533.7612m/z 533.7612 15.02 2194.9318 2283.2431 1981.8626 2515.7231 2221.4827 2020.1213 15.02_538.7525n 522.7849 15.02 1557.6679 1676.3606 1704.7709 1955.3530 1713.0234 1496.5537 15.02_665.2081n 666.2154 15.02 11141.2748 10408.2917 13395.6875 12877.4523 13125.9270 12332.0063 15.02_690.2092m/z 690.2092 15.02 1804.4600 1707.5958 1759.9056 1604.9247 1577.9665 1675.0701 15.02_704.1828m/z 704.1828 15.02 1907.6668 1744.6299 2090.4597 1803.8648 1929.7057 1848.6153 15.02_719.1855n 720.2148 15.02 6393.7087 5829.9235 7208.5806 6002.1186 6657.1216 6530.0559 15.02_736.1979m/z 736.1979 15.02 2336.3341 2152.7429 1861.5195 1743.0261 1895.7084 1858.0979 15.03_231.6380m/z 231.6380 15.03 159.0850 164.2665 147.7668 164.3041 146.6459 144.6038 15.03_238.2265n 261.2141 15.03 573.4491 698.1598 539.0273 677.3610 597.9714 643.2864 15.03_299.6299m/z 299.6299 15.03 3259.4834 3311.9386 3284.0420 3375.7802 3443.2067 3258.7675 15.03_310.2446n 333.2354 15.03 42823.2331 42643.9556 38360.1821 43591.6390 44025.1068 49436.2169 15.03_321.6092m/z 321.6092 15.03 9356.6562 8853.3088 9590.7809 8950.2151 9321.4373 9073.7893 15.03_522.7924n 506.7698 15.03 687.2444 725.1197 519.4069 770.1075 645.7161 522.9263 15.03_534.2783m/z 534.2783 15.03 3796.7390 3987.7230 3800.8130 4177.1827 3999.1146 3592.4690 15.03_662.2271m/z 662.2271 15.03 1956.7972 1861.3688 2026.1133 1811.8659 2012.9548 2000.4186 15.03_663.4031m/z 663.4031 15.03 1903.5188 2033.1010 1999.7336 2266.9973 2059.2361 2236.2179 15.03_664.2118m/z 664.2118 15.03 2844.6731 2567.1323 3012.3286 2661.8438 2878.6122 2789.3803 15.03_732.1919m/z 732.1919 15.03 1477.8806 1318.4557 1554.3366 1338.3395 1394.5510 1305.5601 15.03_734.1921m/z 734.1921 15.03 1261.6276 1083.4081 1260.4536 1068.0398 1146.3316 1095.4648 15.03_743.1809n 744.1973 15.03 1616.1922 1258.6591 1400.8563 1348.4170 1354.9640 1282.3191 15.03_786.9542m/z 786.9542 15.03 711.4822 977.0885 539.3303 1294.6530 752.1001 567.1757 15.03_81.0700m/z 81.0700 15.03 317.0881 338.9507 334.9142 329.8592 355.3168 357.8161 C6H10O 2-Hexenal HIGH 15.05_129.5236m/z 129.5236 15.05 96.8754 104.0261 86.8765 87.1320 62.7757 23.7723 15.05_137.1296m/z 137.1296 15.05 230.6206 230.2359 206.6795 183.8294 207.8032 232.2208 C8H18 Octane Octane 17590 MEDIUM 15.05_268.6506m/z 268.6506 15.05 761.6710 704.1487 714.1786 712.3728 692.7678 600.9929 15.05_295.1903m/z 295.1903 15.05 5292.2458 5318.7153 5496.4413 5338.3652 5344.5299 5038.1187 15.05_395.7194n 418.7654 15.05 5757.1089 6327.1863 5994.7318 6873.7326 6399.7827 5575.7766 15.05_508.7992m/z 508.7992 15.05 108.2386 145.5035 133.5495 137.5893 156.0257 100.2352 15.05_515.8065m/z 515.8065 15.05 1154.7956 1256.2099 1005.9598 1366.7176 1144.5534 904.7341 15.05_527.8029m/z 527.8029 15.05 4404.7058 4949.7832 4176.5300 5119.3054 4492.5773 3763.9898 15.05_580.2718m/z 580.2718 15.05 8637.5641 8435.9777 8828.9310 8571.5311 8398.3436 7881.6101 15.05_775.4173m/z 775.4173 15.05 2249.9431 2464.0952 2293.1516 2679.8122 2394.1827 2300.8726 15.05_967.4529m/z 967.4529 15.05 551.0900 433.4152 510.7906 426.0870 326.8989 455.8594 15.06_123.1146m/z 123.1146 15.06 283.6776 297.8199 273.0525 281.7059 291.7246 275.8561 C7H16 "2,2,3-Trimethylbutane" MEDIUM 15.06_202.9761m/z 202.9761 15.06 531.2523 462.5266 579.6203 550.9390 485.4195 516.4698 15.06_210.1947n 211.2038 15.06 1232.9943 1311.9103 1311.3106 1345.1985 1316.8317 1347.2557 15.06_243.2283m/z 243.2283 15.06 3412.6641 3795.8686 3691.5850 4006.9083 3760.7638 3816.3660 15.06_267.1615m/z 267.1615 15.06 5714.4397 5624.5034 6039.8476 6043.1809 6004.1743 5930.8756 15.06_302.2420n 325.2313 15.06 378518.5857 403429.4121 410009.3531 426152.6007 421134.4635 440756.2129 15.06_302.3811n 325.3812 15.06 7569.3167 7970.5675 8007.1443 8384.0115 7617.4760 8250.1508 15.06_322.2268m/z 322.2268 15.06 21473.2495 21768.6644 22802.4025 22635.3861 22073.2739 23152.0379 15.06_322.7250m/z 322.7250 15.06 2611.2449 2931.2682 2850.9844 3287.6988 3000.3259 3210.7756 15.06_325.4290m/z 325.4290 15.06 1913.0234 2099.0304 2246.3416 2436.7903 1327.9111 2038.2829 15.06_325.7278m/z 325.7278 15.06 981.8316 943.2742 947.7709 993.9410 888.5692 945.0661 15.06_341.1983m/z 341.1983 15.06 2659.6003 2615.1273 3303.8657 3134.0291 2992.7260 3184.5632 C19H24N4O2 Pentamidine Pentamidine 45081 MEDIUM 15.06_364.2171n 387.2000 15.06 51621.2983 52562.5324 54114.3164 54427.6335 53759.8281 55926.0893 15.06_407.1798m/z 407.1798 15.06 3057.5039 3002.5333 3188.2342 3138.8015 3097.9888 3112.2782 15.06_411.2747m/z 411.2747 15.06 1044.2552 1079.6668 1114.6767 1122.6688 1081.8767 947.9727 15.06_419.2657m/z 419.2657 15.06 10513.1854 10519.2877 10638.4326 10860.7230 10585.7439 12606.4744 15.06_426.7987n 449.7334 15.06 8291.5571 9038.9479 8338.2946 9483.3921 9073.7141 8141.4695 15.06_435.2498m/z 435.2498 15.06 7507.3833 7767.0819 8007.3998 7752.0302 7749.4385 8044.9471 15.06_438.7947n 422.7721 15.06 3059.3912 3555.5583 2763.4642 3586.0635 3329.4033 3167.9059 15.06_442.7607m/z 442.7607 15.06 1829.9550 2084.0602 1805.4197 2302.3822 2005.5535 1965.0936 15.06_446.7846n 430.7620 15.06 6443.0260 7387.1739 6455.6591 8189.5162 7240.9127 6962.2342 15.06_472.8380n 473.8453 15.06 1836.4397 2403.2485 1979.1518 2657.5247 2220.4070 2544.1329 15.06_473.3438m/z 473.3438 15.06 3926.1243 4923.1432 4289.9296 5486.3995 4888.0579 5237.5048 15.06_478.7418n 462.7192 15.06 3704.5347 3959.0793 3475.4207 4117.5629 3930.8577 3765.0863 15.06_485.1100m/z 485.1100 15.06 5860.8191 4178.7604 6573.8925 4284.7335 5850.8254 5113.1857 15.06_569.8848m/z 569.8848 15.06 935.0564 1107.8409 1037.6497 1305.5764 1129.7944 964.8733 15.06_627.4706m/z 627.4706 15.06 3758.5987 3814.5803 3927.1238 3819.9825 3928.0168 4189.5120 15.06_629.4493m/z 629.4493 15.06 2428.2468 3088.9627 2584.3438 3246.0232 2758.6291 3151.1935 15.06_678.4003n 679.4097 15.06 3956.7145 4132.6270 3968.6190 4269.1783 4012.1263 4350.9173 15.06_757.3652m/z 757.3652 15.06 1060.3691 1142.1923 987.5686 1077.5136 916.1132 1029.0348 15.06_760.3086m/z 760.3086 15.06 562.6334 511.4793 443.7725 466.5451 369.3453 425.1091 15.06_762.3707n 763.3531 15.06 1818.9303 1964.2963 1635.2388 1861.3977 1759.5787 1795.7635 15.06_95.0854m/z 95.0854 15.06 428.6311 505.4894 436.6490 465.9282 442.3169 465.9571 C7H12O 2-Heptenal HIGH 15.07_273.6441m/z 273.6441 15.07 1173.7173 1252.8640 1108.9660 1232.1390 1234.9583 1094.4865 15.07_274.1492m/z 274.1492 15.07 200.9421 190.2002 184.0384 184.4427 146.3588 123.5364 15.07_302.2944n 325.2920 15.07 1696.8192 1557.7459 1725.9040 1777.1092 1631.3108 1746.9211 15.07_314.2304m/z 314.2304 15.07 4251.2457 4262.5143 4400.5035 4455.5439 4302.0300 4324.2417 15.07_314.7360m/z 314.7360 15.07 437.5280 490.7969 516.8850 537.4159 445.7421 570.3776 15.07_387.2476n 371.2250 15.07 21543.2392 21514.3311 22479.1886 22134.4857 22085.0464 22726.3239 15.07_403.1718m/z 403.1718 15.07 4227.6797 4244.5783 4502.4252 4469.6848 4440.9496 4615.4315 15.07_411.1704m/z 411.1704 15.07 6884.3192 6939.3500 7194.8875 7157.0060 7079.1399 7281.3625 15.07_430.1696n 413.1663 15.07 7631.5778 7848.9003 8192.2583 8580.7640 8354.3729 8232.4608 15.07_473.7189m/z 473.7189 15.07 3076.2137 3623.0272 2888.7534 3970.4339 3399.2257 3598.9421 15.07_517.7766m/z 517.7766 15.07 1715.5472 1836.0544 1629.4114 1828.2890 1680.4866 1407.9629 15.07_658.3999m/z 658.3999 15.07 3520.0341 4101.8906 3547.9768 4302.1327 3721.4853 4085.3901 15.07_667.4021m/z 667.4021 15.07 3885.1301 4371.9205 4083.2669 4881.3604 4252.3068 4630.1805 15.07_685.4199n 669.3973 15.07 4628.2515 4910.4904 4479.3214 5390.1514 4635.9604 4981.4056 15.07_686.3855n 687.3928 15.07 49196.2001 58985.3920 50245.4059 64418.2371 56303.8723 57997.2373 15.07_687.4204n 671.3978 15.07 5362.6938 5756.0443 4969.5157 5929.0715 5142.6228 5722.4085 15.07_695.3932m/z 695.3932 15.07 3166.2582 3405.3364 2680.5987 3290.8814 3065.1952 3139.3911 15.07_699.3836m/z 699.3836 15.07 2429.4591 2578.3490 2009.4364 2437.4205 2306.0391 2473.8100 15.07_707.3819m/z 707.3819 15.07 1400.9164 1542.1914 1361.2208 1561.2932 1437.5424 1513.1066 15.07_713.3898m/z 713.3898 15.07 1360.1979 1387.2570 1296.5745 1476.9932 1299.5756 1292.5392 15.07_732.3335n 715.3302 15.07 6522.5444 7496.6023 5819.3799 7658.0427 6455.0839 6445.1807 15.07_741.3626m/z 741.3626 15.07 1254.5243 1239.1283 919.9175 1156.1274 1147.1159 1033.1551 15.07_754.3615m/z 754.3615 15.07 357.4707 336.8124 255.6299 402.7273 268.7698 324.0929 15.07_767.3576m/z 767.3576 15.07 914.1411 1045.5441 940.1381 1050.5079 901.0395 1019.7561 15.08_152.0609m/z 152.0609 15.08 4532.0513 5053.9232 4346.9815 5182.4620 4814.7251 4590.8032 15.08_175.0133m/z 175.0133 15.08 682.8979 656.5046 612.8067 704.2718 662.9744 685.1089 15.08_247.0514m/z 247.0514 15.08 1693.0328 1870.7272 1718.8629 1887.9623 1786.2837 1605.2833 15.08_250.0372n 251.0445 15.08 115036.1765 131476.0923 113546.8364 139336.9120 124524.4115 127335.5468 15.08_350.9366m/z 350.9366 15.08 490.8959 529.2371 491.0138 569.0619 540.6542 552.4638 15.08_358.9629m/z 358.9629 15.08 1478.4704 1499.0189 1326.7484 1654.1974 1458.3693 1513.0573 15.08_360.9598m/z 360.9598 15.08 871.6924 945.5027 848.7225 1003.3363 869.0024 925.0001 15.08_362.1652n 385.1511 15.08 190518.8458 212864.6161 187058.4165 221855.9044 203433.2214 206727.4223 15.08_422.2457m/z 422.2457 15.08 4730.2001 4684.2697 4768.4397 4869.0368 4786.5717 4899.2425 15.08_464.1241n 447.1208 15.08 3459.3138 3475.5821 3370.4879 3712.5051 3551.7931 3426.8980 15.08_471.0993m/z 471.0993 15.08 1739.3420 1663.5309 1657.9841 1578.0970 1632.8571 1507.3315 15.08_693.3889m/z 693.3889 15.08 1596.2595 1736.8119 1469.1311 1598.0395 1585.1219 1586.4639 15.08_719.3948m/z 719.3948 15.08 4997.1425 5527.2480 4526.1184 5800.2492 5131.1128 5887.1192 15.08_724.3241n 747.3115 15.08 50473.3076 66505.2918 47397.8230 73620.7707 58337.2431 60145.9140 15.08_731.3321m/z 731.3321 15.08 1195.0448 1251.2290 1085.2747 1253.8410 992.5813 1104.1467 15.09_297.2349m/z 297.2349 15.09 5416.8885 5207.2061 5578.9749 5407.1430 5361.6626 5571.3799 15.09_362.9577m/z 362.9577 15.09 440.7479 470.3151 458.9315 537.2217 426.3348 458.3743 15.09_60.0822m/z 60.0822 15.09 202.9898 198.2273 172.8752 189.8477 164.4515 191.8441 15.09_853.5729m/z 853.5729 15.09 2322.5306 2318.1834 2150.1206 2641.4250 2320.4734 2860.7309 15.10_429.2538m/z 429.2538 15.10 4599.8174 4610.3151 4770.8129 4810.8311 4648.0044 4686.0064 15.10_595.3708m/z 595.3708 15.10 5524.0113 5397.4615 5567.9514 5623.6504 5435.0675 10337.7040 15.11_107.0475m/z 107.0475 15.11 1990.2338 2041.9546 2052.2496 2151.3025 1997.1690 1944.8132 15.11_119.0847m/z 119.0847 15.11 1547.9760 1633.1604 1666.2540 1737.0184 1595.3679 1554.4822 C9H12O 2-Isopropylphenol 38506 MEDIUM 15.11_135.0792m/z 135.0792 15.11 5563.2264 5666.1785 5948.6857 6014.3972 5689.2684 5455.1796 15.11_143.0456m/z 143.0456 15.11 4485.7737 4732.7716 4861.6336 5185.2560 4853.4520 4525.9892 C8H8O Phenylacetaldehyde Phenylacetaldehyde 16424 MEDIUM 15.11_263.1024m/z 263.1024 15.11 4907.1805 4966.3975 5160.8221 5173.8683 4906.2595 4710.7899 15.11_293.1491m/z 293.1491 15.11 7359.3698 7436.6341 7690.8887 7849.7906 7684.3338 7341.7901 15.11_354.5878m/z 354.5878 15.11 168.1186 208.8214 154.7792 232.3729 164.4714 121.7673 15.11_427.2398m/z 427.2398 15.11 7597.0477 8329.5218 9167.5311 8224.3363 8824.0564 8947.6347 C28H30N2O2 Darifenacin 391960 MEDIUM 15.11_546.3480m/z 546.3480 15.11 13410.9140 14493.0629 13737.4911 16143.5278 14750.7619 14752.0888 15.11_717.4379m/z 717.4379 15.11 2277.3011 2788.1572 1833.2711 2740.2735 2260.0213 2222.2908 C37H67NO13 Erythromycin Erythromycin 48923 HIGH 15.11_91.0541m/z 91.0541 15.11 992.6329 992.1473 1032.0460 1058.0715 1008.2418 960.9625 C7H8O o-Cresol 28054 MEDIUM 15.11_95.0491m/z 95.0491 15.11 263.0197 286.3913 300.8152 329.9442 272.7083 293.1864 C6H6O Phenol Phenol 15882 MEDIUM 15.12_639.3991m/z 639.3991 15.12 6715.0868 6541.5895 6830.0937 6844.7083 6528.7101 12657.7806 15.13_409.2329m/z 409.2329 15.13 17240.1079 17202.0660 17877.9058 17421.1208 17263.8785 17425.7465 15.13_678.4611m/z 678.4611 15.13 1178.9648 1248.4916 1180.8911 1226.0301 1211.3634 2243.3780 15.13_683.4207m/z 683.4207 15.13 6202.3650 6194.0435 5922.6522 6206.8476 5988.6115 12100.8019 15.15_262.2272n 263.2304 15.15 3637.3763 3420.1844 3542.1756 3504.2622 3465.5533 3375.0850 15.15_321.2644n 322.2403 15.15 13714.5090 13228.9119 13373.9816 13226.9824 13309.3767 13041.9698 15.15_354.2083n 337.2050 15.15 15908.3379 15216.0519 15492.8766 15079.9470 15339.4025 15689.6889 15.15_361.1975m/z 361.1975 15.15 8938.8711 8476.5624 9211.3481 8899.0943 8909.9119 8989.9239 15.15_635.4338m/z 635.4338 15.15 1497.9417 1420.3949 1408.0736 1473.2743 1390.3538 1534.0231 15.15_711.3986m/z 711.3986 15.15 1211.1425 1328.8357 1070.0753 1502.4649 1194.2387 1521.5637 15.16_161.1291m/z 161.1291 15.16 258.6889 243.7669 209.2086 228.8206 206.4609 243.5473 15.16_178.1342m/z 178.1342 15.16 419.4635 424.7914 412.7005 456.4236 417.3106 433.3796 15.16_253.2087m/z 253.2087 15.16 1988.6834 1903.0332 2006.5855 1850.1083 2010.7066 1897.6109 15.16_504.3238n 487.3205 15.16 13093.8087 12738.3762 13094.7874 12729.5729 12394.5767 12951.8805 15.16_721.4394m/z 721.4394 15.16 3676.6771 3795.4218 3681.1375 3890.7491 3666.8053 4423.7455 15.17_291.2237m/z 291.2237 15.17 4633.3165 4291.6609 5081.8812 4497.0198 4529.9735 4945.7873 15.17_341.2560m/z 341.2560 15.17 8833.0276 8842.7604 8233.1913 9167.1312 8736.3768 9434.5364 15.18_128.0609m/z 128.0609 15.18 74.1756 94.2288 45.0135 103.2910 53.0729 66.7789 15.18_150.1130m/z 150.1130 15.18 382.6567 281.6889 231.6534 277.8221 263.9719 258.4499 15.18_374.2389n 357.2356 15.18 48330.7539 51621.6452 41878.8895 55348.5218 52628.5881 59591.9389 15.19_304.6454m/z 304.6454 15.19 10170.6436 10640.1313 10153.2924 11173.0636 10822.6365 10926.5936 15.19_307.6283m/z 307.6283 15.19 626.9368 657.8270 670.2323 693.7619 684.7691 719.3100 15.19_308.6131n 309.6204 15.19 6157.5039 5907.9075 6571.8526 6204.6975 6208.7335 6202.8274 15.19_358.6098m/z 358.6098 15.19 474.5149 412.7212 452.9840 467.6345 479.8867 470.1020 15.19_385.2900m/z 385.2900 15.19 3944.1268 3644.6852 3708.4575 3833.7352 3434.8358 3922.9982 15.19_387.1255n 405.2214 15.19 2093.0249 2028.6575 2144.7389 1842.7155 2048.6158 2207.6067 15.19_425.1092m/z 425.1092 15.19 1053.6289 415.7920 1389.5474 561.9623 1098.7537 623.3385 15.19_432.7930n 416.7704 15.19 1594.7521 1499.6167 1625.0331 1536.2003 1347.8638 1649.4971 15.19_569.3418n 570.3491 15.19 30363.0662 33241.6781 31076.9394 36647.3887 33881.5395 35166.1096 15.19_893.4187m/z 893.4187 15.19 3995.6768 3872.6068 4156.5579 3565.5138 3977.2350 4152.0601 15.20_239.2340m/z 239.2340 15.20 2554.6988 2423.1921 2582.7539 2415.4771 2408.6818 2300.7085 15.20_269.1473m/z 269.1473 15.20 5369.7737 5077.5774 5431.0187 5050.0931 5107.3559 5112.0012 C13H17NO4 "2,5-Pyridinedicarboxylic acid, dipropyl ester" MEDIUM 15.20_287.1481n 271.1255 15.20 8938.6441 9328.4252 9429.6319 9731.6126 9401.6294 9475.7735 15.20_320.0212m/z 320.0212 15.20 6493.0115 6401.9873 6808.5680 6670.0012 6608.0286 6308.5847 15.20_350.8541n 351.8614 15.20 1071.7500 936.4060 1075.2602 1028.1332 1124.0312 1068.6620 15.20_359.5214m/z 359.5214 15.20 777.1972 690.8924 766.7423 732.1224 808.8749 810.1770 15.20_359.8521m/z 359.8521 15.20 920.5139 882.4514 1004.9443 892.1934 954.2040 977.5118 15.20_364.5128m/z 364.5128 15.20 1806.8181 1665.3781 1653.5790 1532.9342 1582.1088 1668.0154 15.20_365.1648m/z 365.1648 15.20 2755.4314 2547.1941 2804.8340 2642.1204 2848.2339 2830.2707 15.20_365.8452m/z 365.8452 15.20 650.8529 539.0855 676.5206 559.3501 624.1188 579.3293 15.20_372.5037m/z 372.5037 15.20 668.9097 574.6244 637.2574 622.7081 647.3604 644.4404 15.20_431.1906m/z 431.1906 15.20 5630.3050 5584.2974 6018.5716 5717.7913 5800.4729 6043.1228 15.20_482.7397m/z 482.7397 15.20 220.0235 281.3805 295.0758 265.1951 301.1949 358.8724 15.20_513.3313m/z 513.3313 15.20 1709.2778 1582.9211 1790.6148 1532.1239 1614.9264 1813.8706 15.20_518.3983m/z 518.3983 15.20 3923.0501 3565.4473 4049.2647 4237.3260 3840.1656 3885.8414 15.20_526.9556m/z 526.9556 15.20 192.1204 136.2265 143.7723 60.4093 110.7054 45.0816 15.20_557.2483n 540.2987 15.20 104558.4629 102680.9301 106464.9798 104383.3354 104509.4090 101333.2419 C33H34FN2O5- Atorvastatin 2910 HIGH 15.20_576.1945n 594.2284 15.20 25837.7414 24862.9105 25943.3095 24936.9974 25205.1708 25206.9415 15.20_576.7529m/z 576.7529 15.20 11533.9096 11255.0799 11663.9187 11788.6518 11500.2385 11318.0766 15.20_715.7105m/z 715.7105 15.20 181.0765 94.0627 195.4679 98.7077 120.6133 130.9635 15.20_738.3660m/z 738.3660 15.20 494.4664 254.0790 489.0057 433.0474 414.3049 526.3784 15.20_823.9178m/z 823.9178 15.20 11438.7681 11333.7279 11820.2056 11753.5080 11592.3645 11465.2390 15.20_841.4199m/z 841.4199 15.20 5125.3865 5060.7782 5198.5054 5399.7598 5310.2816 5441.0102 15.20_841.9198m/z 841.9198 15.20 11396.6371 11465.2175 11736.8808 12192.1950 11706.1617 11637.3503 15.20_947.4804n 948.4877 15.20 1805.1254 1857.0313 1993.7486 1927.9709 2023.3885 1806.5480 15.20_978.5194m/z 978.5194 15.20 670.8033 591.4064 519.8882 556.2609 641.9584 579.3035 15.21_156.0182m/z 156.0182 15.21 179.3713 183.9219 220.9680 172.1430 141.9674 228.2568 15.21_156.5175m/z 156.5175 15.21 95.2248 99.4714 104.8151 75.0964 77.1565 124.7320 15.21_260.1556m/z 260.1556 15.21 7535.8555 7357.7892 7522.4420 7333.6568 7349.7716 7284.2568 15.21_266.1276m/z 266.1276 15.21 1346.8125 1384.6495 1471.4894 1357.3420 1409.0965 1531.5398 15.21_266.6262m/z 266.6262 15.21 1050.9847 1044.7094 1117.8779 1150.0050 1142.5078 1140.9895 15.21_275.1394m/z 275.1394 15.21 2532.8121 2467.0708 2729.7644 2589.5106 2618.4302 2634.2283 15.21_495.2314n 518.3158 15.21 1066354.2110 1107090.4720 1125387.9350 1154083.5250 1138861.0720 1065150.1620 15.21_495.9505n 496.9578 15.21 4601.5189 4234.8570 4462.1386 4288.2538 4413.0843 4142.1722 15.21_513.7817m/z 513.7817 15.21 643.1694 686.4447 644.6758 566.1843 528.4509 452.4323 15.21_534.2852m/z 534.2852 15.21 11398.2135 11345.0009 11830.3163 11475.4192 11508.0726 11485.6220 15.21_536.8050n 519.8018 15.21 6078.1208 5872.8306 6161.8118 6092.3553 6081.8779 5743.5298 15.21_681.7481m/z 681.7481 15.21 392.8623 364.5232 376.2807 374.1831 401.1300 326.5695 15.21_693.7234n 694.7307 15.21 3853.8375 3573.3990 3865.9945 3597.6123 3742.3132 3589.2622 15.21_702.7217m/z 702.7217 15.21 643.3159 649.0233 662.0636 649.7406 679.5885 665.6337 15.21_706.4047n 689.4014 15.21 3096.9925 2847.2186 3162.2390 2980.1681 3283.2452 3344.4632 15.21_765.9797m/z 765.9797 15.21 32031.0058 31794.3341 33310.0259 32961.5066 32913.8375 30157.9240 15.21_766.4812m/z 766.4812 15.21 22215.1464 22118.7194 23123.5520 22807.2408 22488.1986 20862.6672 15.21_774.4110n 775.4569 15.21 48335.7586 49828.0570 48964.2802 51526.9478 49699.2947 44541.9386 15.21_792.9227n 793.9300 15.21 11183.6121 10952.7141 11841.1832 11109.4778 11312.8835 11179.4083 15.21_802.9496n 785.9463 15.21 58602.2046 58822.8163 60796.6679 61183.6230 60712.4783 56546.4113 15.21_803.4507n 804.4355 15.21 64460.2302 63726.6769 65604.4536 63902.6652 64986.9501 62037.1158 15.21_95.0852m/z 95.0852 15.21 743.0463 768.4974 737.3324 747.1309 725.4777 733.4809 C7H12O 2-Heptenal MEDIUM 15.21_964.5048m/z 964.5048 15.21 1186.5069 1316.0310 1247.4629 1014.9305 1196.2535 1229.3924 15.21_971.4906n 972.4687 15.21 10264.1115 9919.2419 10287.8675 9912.9982 9494.7997 10195.4321 15.22_103.0999n 104.1065 15.22 12239.0101 12619.5491 12996.1349 13232.3170 12990.0344 11975.4827 15.22_120.5171m/z 120.5171 15.22 163.4293 160.1308 188.1391 172.5615 157.0131 156.9135 15.22_184.0716m/z 184.0716 15.22 11580.4445 12102.5674 11937.5082 12786.7016 12123.6442 11310.6523 15.22_198.0881m/z 198.0881 15.22 818.0563 756.6191 814.4335 873.8409 802.1396 742.6122 15.22_495.5158n 496.5230 15.22 57641.1797 58369.9331 58387.3313 61239.1087 54380.2061 50857.1216 15.22_495.5735n 496.5808 15.22 16929.5194 17195.1327 18022.2813 19716.7229 11007.2844 13523.3766 15.22_496.6401m/z 496.6401 15.22 12907.4703 14201.5774 13870.7237 15045.3602 10228.8900 9956.0172 15.22_497.4181m/z 497.4181 15.22 2203.1469 1992.4792 2063.7522 2345.2497 2413.8811 2090.1854 15.22_504.7584n 527.7931 15.22 53347.3078 53523.2414 54748.7501 54673.6441 54402.2664 50416.5918 15.22_507.8206m/z 507.8206 15.22 12696.5992 12539.0408 13101.0864 13135.8763 13192.5076 12066.6045 15.22_515.3071m/z 515.3071 15.22 85641.1050 86554.0829 88719.6401 89636.5040 89330.0444 82131.4096 15.22_523.2953m/z 523.2953 15.22 29810.6838 30046.6292 33549.0593 33696.9824 33483.6730 31374.9846 15.22_523.3402n 507.3176 15.22 63004.6593 63550.2023 68961.4470 73101.7987 74490.0061 70363.3632 15.22_527.2910m/z 527.2910 15.22 82929.9194 83763.7217 84853.2534 86043.9645 85657.9074 80114.4537 15.22_532.8126n 515.8093 15.22 47348.1603 47223.3394 48700.8734 48721.7995 48823.1970 44740.3450 15.22_599.4326m/z 599.4326 15.22 1950.0968 2057.5306 1952.0313 2283.8049 1973.8690 1704.8726 15.22_695.3979m/z 695.3979 15.22 3328.8104 3017.9372 3265.9464 3099.4182 3309.1491 3147.4252 15.22_720.0592n 704.0555 15.22 2312.0622 2118.5616 2266.9241 2060.6292 2110.3728 2119.2874 15.22_754.9829m/z 754.9829 15.22 19933.0407 21060.4339 20594.5999 22460.6529 21115.8418 18259.2518 15.22_762.9721m/z 762.9721 15.22 60635.1007 64299.4628 62799.2357 68700.0316 64748.9200 54493.3563 15.22_770.4564m/z 770.4564 15.22 16819.3657 17440.1209 16938.6180 18325.7686 17354.4027 18866.8299 15.22_770.9581m/z 770.9581 15.22 16681.5173 17551.7845 17105.0492 18798.9363 17889.3557 14907.8196 15.22_771.5068n 755.4842 15.22 21851.9488 22835.0879 22702.2166 24070.0540 22848.5176 20810.3736 15.22_773.9484n 774.9557 15.22 82539.7612 86263.9888 84428.3968 90444.9187 86954.1650 76516.3299 15.22_780.4769n 763.4736 15.22 48002.5975 50329.6180 48996.8987 53255.5630 51059.8873 43430.8474 15.22_781.9492m/z 781.9492 15.22 6146.6871 6388.1142 6703.4071 6857.9374 6499.3635 6052.4627 15.22_849.8309n 872.8562 15.22 12910.6483 12833.6674 13215.1440 13522.2625 13260.6080 12881.6603 15.22_860.1760m/z 860.1760 15.22 3615.0894 3700.9563 3519.3852 3680.3732 3689.0312 3177.8464 15.22_860.5067m/z 860.5067 15.22 4317.8843 4201.2037 4563.7673 4681.2873 4713.8638 5211.2606 15.22_860.8515m/z 860.8515 15.22 8034.6150 7906.7171 7893.7079 8245.4691 8083.2997 7686.5625 15.22_885.1748n 869.1660 15.22 1764.5917 2008.4208 1775.7760 1970.1416 1907.7571 1515.0270 15.22_889.4969n 912.5110 15.22 3545.2944 3495.7322 3932.8557 3539.6610 3683.3862 4047.7999 15.22_941.4683m/z 941.4683 15.22 2831.2858 2870.6014 2825.2218 3014.2521 2828.1415 2673.1989 15.22_943.5117n 926.5084 15.22 10035.0428 9628.1731 10464.7487 10098.5650 10104.0741 9383.9562 15.22_991.6641m/z 991.6641 15.22 375891.2130 440739.2784 372655.1201 503621.7471 422569.0659 299444.9228 15.23_109.1007m/z 109.1007 15.23 518.4019 508.7178 538.9956 507.7536 518.2715 480.6410 C8H14O 2-Octenal MEDIUM 15.23_139.5240m/z 139.5240 15.23 138.7160 128.5823 124.7241 107.6737 132.1588 114.6402 15.23_140.5413m/z 140.5413 15.23 2653.7878 2761.7427 2867.1414 2835.4518 2788.8175 2702.5348 15.23_176.5365n 199.5198 15.23 561.6656 563.9616 582.2248 669.1435 608.2559 595.3258 15.23_185.5242m/z 185.5242 15.23 308.4945 327.9470 362.2163 393.2708 385.6626 374.2251 15.23_204.0804m/z 204.0804 15.23 158.9703 125.6563 154.4902 110.6416 180.8765 190.5259 15.23_242.0035m/z 242.0035 15.23 158.5503 147.8367 94.7750 129.1201 127.4384 116.0028 15.23_247.6288n 270.6228 15.23 8478.9065 8383.7265 8781.0477 8642.4363 8847.3439 8446.0393 15.23_249.0778n 232.0745 15.23 2485.5068 2113.4639 2586.1788 2205.8521 2263.2980 2567.9424 15.23_266.6727n 250.6501 15.23 1106.9743 1050.5412 997.7760 895.5545 1104.1906 1166.9417 15.23_267.6443m/z 267.6443 15.23 74337.6599 73338.2007 76490.6778 74326.3605 75141.8255 72090.8065 15.23_274.6617n 258.6392 15.23 20835.9917 20615.6126 21515.4033 20977.9934 21216.5467 20244.2538 15.23_296.0556m/z 296.0556 15.23 945.0848 842.3672 902.4332 904.8991 888.5128 825.3823 15.23_322.0184m/z 322.0184 15.23 3850.4798 3870.3615 3980.1709 3992.7472 4073.7753 3791.8332 15.23_324.0178m/z 324.0178 15.23 2415.2508 2620.3222 2549.5452 2569.8503 2390.1320 2330.4725 15.23_328.0271n 312.0274 15.23 2211.9037 2221.0970 2361.6404 2268.7322 2376.5735 2247.6649 15.23_384.1909m/z 384.1909 15.23 8911.9976 8305.9747 9158.5534 8459.3835 9011.8040 9661.3757 15.23_459.2440m/z 459.2440 15.23 55314.3503 54379.2513 57884.0052 56169.4203 55808.3481 53350.7506 15.23_496.3344m/z 496.3344 15.23 1496911.8510 1576603.9510 1574430.3800 1676952.9900 1630026.2810 1481266.0630 15.23_643.3945m/z 643.3945 15.23 3494.3154 3497.8324 3683.3540 3379.4043 3340.0822 3463.2345 15.23_672.0389n 695.0663 15.23 4189.1980 4045.1107 4370.1795 4062.3052 4246.8854 4022.9283 15.23_680.4045n 703.3851 15.23 4055.1859 4017.6167 4002.3605 3955.5285 4062.4045 4333.4100 15.23_689.7385m/z 689.7385 15.23 1304.4415 1170.4944 1236.7441 1187.6948 1297.6713 1085.4294 15.23_702.7618n 703.7217 15.23 3164.1046 2744.8112 2984.2793 2888.2803 2832.5154 2779.3583 15.23_71.0862m/z 71.0862 15.23 188.1499 190.7897 191.4341 175.2650 193.1916 182.8419 C5H10 Cyclopentane 23492 MEDIUM 15.23_717.7267n 701.7249 15.23 595.6600 522.1891 643.3510 610.3638 567.0806 556.3049 15.23_804.9338m/z 804.9338 15.23 39426.3498 38970.4500 40900.8981 40413.8956 40447.2422 38641.9600 15.23_85.1013m/z 85.1013 15.23 310.4462 308.4622 309.3063 274.3355 325.0998 284.3166 C6H14O 1-Hexanol 113441 MEDIUM 15.23_968.4938m/z 968.4938 15.23 525.9118 603.5335 637.1960 328.7726 589.1882 591.8936 15.23_97.1009m/z 97.1009 15.23 236.5484 246.3293 223.2681 209.3945 228.1661 222.0141 C7H14O 5-Methyl-2-hexanone MEDIUM 15.23_996.5772m/z 996.5772 15.23 1736.1722 2089.7728 1664.5454 2075.2020 1867.3998 1624.1878 15.24_123.1149m/z 123.1149 15.24 552.9071 536.8899 533.7715 557.7981 571.4715 512.7538 C7H16 "2,2,3-Trimethylbutane" MEDIUM 15.24_129.5234m/z 129.5234 15.24 348.8069 326.1414 353.2872 342.2187 323.2906 323.7958 15.24_149.5475m/z 149.5475 15.24 2382.1927 2511.9784 2618.0547 2584.8457 2503.2864 2503.0126 15.24_150.0487m/z 150.0487 15.24 503.8423 491.4381 529.1508 492.8856 502.2536 525.6647 15.24_176.5240m/z 176.5240 15.24 134.5267 145.8349 136.6264 120.2605 128.5071 189.8731 15.24_211.5317n 195.5255 15.24 427.3441 389.3733 463.6158 390.8317 439.9680 422.8672 15.24_218.5373n 201.5341 15.24 835.4910 792.7674 749.0174 732.9803 757.3833 776.1820 15.24_262.9441m/z 262.9441 15.24 107.6174 67.4858 55.3982 35.4563 68.3799 51.6255 15.24_313.2674m/z 313.2674 15.24 2300.7558 2287.0233 2291.0620 2254.5288 2197.4344 2086.9358 15.24_370.8445m/z 370.8445 15.24 113.0365 47.1630 96.3584 48.4975 63.1186 35.2504 15.24_485.7580m/z 485.7580 15.24 1317.3970 1095.0287 1019.3768 1048.5815 1045.6149 1032.3241 15.24_495.2672m/z 495.2672 15.24 4153.9411 4058.3503 4358.8244 4066.4314 4112.0382 4284.1678 15.24_498.7882m/z 498.7882 15.24 838.9078 864.6765 851.1329 730.7641 891.4499 771.3110 15.24_549.2775m/z 549.2775 15.24 12310.5530 12103.6661 12758.1709 12422.3551 12414.0730 12421.0511 15.24_549.7756m/z 549.7756 15.24 6992.5881 6629.9604 7090.8901 6997.3272 6905.2456 6807.3982 15.24_555.2927n 538.2894 15.24 35689.8074 34624.1701 36758.0566 35438.7742 35317.9191 34985.0666 15.24_555.8054n 556.7663 15.24 27413.9897 27240.8116 28122.0757 28365.2002 28222.0898 26956.5520 15.24_563.7710n 564.7651 15.24 19736.7662 19532.7912 20057.6637 19991.0493 19590.7700 19282.7755 15.24_712.3900m/z 712.3900 15.24 499.4618 596.3381 488.7274 451.0157 590.6991 625.3499 15.24_716.3770m/z 716.3770 15.24 850.8891 844.6616 875.7277 767.3831 735.2489 810.2984 15.24_728.7302n 712.7237 15.24 480.6719 424.5033 284.2918 418.1867 433.2931 327.1856 15.24_733.3618m/z 733.3618 15.24 705.6541 584.7153 630.0994 466.2922 554.5302 676.7653 15.24_742.4147m/z 742.4147 15.24 1081.0633 1032.6819 1120.3830 956.2624 1239.4810 1198.6912 15.24_753.4041m/z 753.4041 15.24 517.5949 661.3698 562.5268 602.2110 394.7816 310.0963 15.24_779.4756m/z 779.4756 15.24 3053.3454 3509.4405 3121.9686 3410.1698 3273.0696 2903.4251 15.24_81.0701m/z 81.0701 15.24 354.9566 364.7780 385.3060 381.8978 357.9048 359.5810 C6H10O 2-Hexenal MEDIUM 15.24_814.9328m/z 814.9328 15.24 1428.3376 1452.6783 1487.6174 1446.6309 1398.7288 1457.9476 15.24_816.4862n 800.4636 15.24 18043.1904 18456.8517 18309.6311 19627.3247 18815.2951 17836.1051 15.24_822.4139n 845.3970 15.24 22440.6172 22012.3509 23249.2804 23598.3015 23145.0127 23856.7638 15.24_83.0858m/z 83.0858 15.24 340.3874 328.8658 372.8707 359.1788 375.1773 375.7353 C6H12O Cyclohexanol Cyclohexanol 18099 MEDIUM 15.24_833.9362n 816.9329 15.24 13859.5023 13746.3357 14448.4548 14637.4249 14474.5060 13959.0949 15.24_835.9167m/z 835.9167 15.24 7334.0432 7165.7709 7332.7916 7470.1857 7307.0581 7224.6662 15.24_909.4789n 932.4885 15.24 4190.8240 3944.7797 3775.0125 3852.5668 3997.0695 3883.3241 15.24_949.5704m/z 949.5704 15.24 4533.8488 4578.4992 4593.4488 5061.9698 4820.0055 4605.1433 15.24_952.5176n 953.4835 15.24 1256.9858 1142.0116 1251.8612 1328.4059 1329.2373 1448.1410 15.24_987.5539m/z 987.5539 15.24 997.6562 860.5736 742.5142 1088.8595 1036.9528 811.0340 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153.5685 135.0102 15.63_416.7946n 434.7901 15.63 3127.5105 3696.8217 3766.0824 3992.4483 3720.6784 3037.1198 15.63_418.2822m/z 418.2822 15.63 7159.5272 7472.3582 7572.3828 7585.0058 7417.8414 7489.0986 15.63_425.7923m/z 425.7923 15.63 2207.6740 2673.1120 2435.8335 2826.9144 2585.7942 2134.2446 15.63_457.7879n 458.7952 15.63 2036.0872 2400.4289 2179.1481 2637.0875 2353.8848 1990.3791 15.63_466.7729m/z 466.7729 15.63 153.1222 220.4815 126.6134 212.1395 200.7201 154.5797 15.63_466.8277n 450.8051 15.63 2233.9650 2457.5977 2070.7907 2581.3937 2261.4260 1942.3752 15.63_470.7762m/z 470.7762 15.63 773.2945 859.3588 822.5057 914.0363 856.4102 764.5370 15.63_663.4212m/z 663.4212 15.63 11546.5305 11882.1880 11986.5351 12182.5020 12176.7624 12468.7588 15.63_673.4036m/z 673.4036 15.63 4459.1873 4696.4350 4792.1841 4968.2314 4954.5930 4584.0695 15.63_977.7215m/z 977.7215 15.63 1267.7998 1525.6410 1341.3975 1697.1223 1514.5703 1208.7544 15.64_109.1009m/z 109.1009 15.64 366.9034 351.9834 352.3796 397.7038 370.1198 373.1451 C8H14O 2-Octenal MEDIUM 15.64_123.1126m/z 123.1126 15.64 464.8783 490.0029 565.1556 508.6560 517.9834 497.1519 C4H11NO2 Diethanolamine Diethanolamine 28123 MEDIUM 15.64_131.0009m/z 131.0009 15.64 263.0278 254.3378 261.6148 242.1241 286.2970 268.8358 15.64_202.9787m/z 202.9787 15.64 753.9551 771.4576 743.9086 753.2740 782.4652 729.5390 15.64_223.1572m/z 223.1572 15.64 895.5342 973.2904 1066.1252 928.8336 1029.4688 916.0741 C16H20N2 Costaclavine MEDIUM 15.64_223.6543m/z 223.6543 15.64 122.6118 131.2486 143.0209 156.2106 155.9749 135.5278 15.64_231.1281m/z 231.1281 15.64 1827.3676 1721.7141 1909.4790 1941.3011 1762.0500 1792.9106 15.64_231.6427m/z 231.6427 15.64 193.1188 173.2457 199.9968 194.2525 180.2495 180.2558 15.64_239.2355m/z 239.2355 15.64 3108.7140 3279.1678 3369.6916 3411.1989 3425.1088 3518.0179 C6H10O 2-Hexyldecanoic acid MEDIUM 15.64_243.1150m/z 243.1150 15.64 1431.7879 1608.0117 1621.4883 1635.7570 1619.2130 1586.8673 C11H18N2O2S Thiopental 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362.2380 15.64 12508.2678 13210.6250 13457.8895 13610.1950 13695.2951 13565.6301 15.64_375.7470n 359.7441 15.64 1929.9836 2226.8991 2190.2546 2505.7978 2331.4386 2236.2458 15.64_376.2464n 399.2575 15.64 38492.1836 39176.3434 38766.5288 38183.7150 38443.9416 39285.3560 15.64_392.2509n 415.2355 15.64 77166.1571 78323.7360 83365.0982 81548.4695 82803.1150 84117.6722 15.64_425.2848m/z 425.2848 15.64 13302.0604 13087.4416 13913.8679 12952.7652 13239.2367 13181.9372 15.64_429.1742m/z 429.1742 15.64 4815.8868 4841.9965 4588.5435 4316.5453 4447.1550 4541.7001 15.64_431.2102m/z 431.2102 15.64 10518.1351 10839.2224 11801.0132 11394.2815 11729.9149 11485.7380 15.64_433.2059m/z 433.2059 15.64 26417.8730 26066.8154 27573.7740 26170.7542 26532.5919 26224.7089 15.64_439.2016m/z 439.2016 15.64 19735.5140 20659.6002 21593.9760 20927.0129 21457.6127 21041.8857 15.64_441.1993m/z 441.1993 15.64 12265.9455 12780.6466 13430.2568 13000.3183 13224.5845 12837.9544 15.64_443.1973m/z 443.1973 15.64 8794.9406 9068.4617 9717.2959 9576.1810 9799.1614 10219.2190 15.64_503.2440m/z 503.2440 15.64 2479.1025 2525.8372 2725.3501 2574.1324 2657.8681 2685.6545 15.64_515.3879m/z 515.3879 15.64 28543.8625 32906.6361 32631.5313 36398.3935 34164.5650 32909.2049 15.64_523.9274n 507.9048 15.64 4951.3911 5957.3767 5711.6737 6710.0483 6021.2230 5737.5738 15.64_527.3695m/z 527.3695 15.64 18218.8327 20992.7277 24975.3399 27695.5554 25882.5167 23652.5451 15.64_527.8781m/z 527.8781 15.64 4289.8650 5414.2611 5181.5264 6019.8464 5655.3541 5261.8303 15.64_532.8976n 515.8944 15.64 10314.0889 12744.0813 12230.9644 14354.2672 13192.4545 12468.0009 15.64_534.8457m/z 534.8457 15.64 267.2724 339.6983 293.7938 360.0946 335.2012 224.3241 15.64_537.8819n 520.8786 15.64 1147.1560 1446.3278 1313.7826 1558.1327 1513.3258 1428.1489 15.64_558.8296m/z 558.8296 15.64 443.3127 562.8663 541.8318 587.6448 504.0495 463.3703 15.64_569.9012n 553.8313 15.64 998.2752 1181.6107 1088.4957 1264.2243 1103.6340 963.3847 15.64_571.1537m/z 571.1537 15.64 388.4251 422.1101 422.9044 372.8169 410.7351 314.2855 15.64_662.9986n 681.0324 15.64 2385.7431 3170.3459 2885.8683 3702.4788 3222.5858 2988.5206 15.64_683.5379m/z 683.5379 15.64 42051.4065 46605.2474 46726.4808 50224.6582 50029.6385 49898.9721 15.64_691.4961n 714.3754 15.64 21724.2777 23944.2485 24531.2451 26040.8874 24973.8125 24355.5252 15.64_707.4636m/z 707.4636 15.64 7969.5384 8452.6729 11518.0989 12171.1268 11940.5306 13392.1372 15.64_722.4497n 745.5042 15.64 20530.6944 23636.3518 22969.2237 24361.6000 23409.3385 22998.5990 15.64_728.4550n 729.4817 15.64 8011.6747 8883.3512 8840.8000 9316.6408 9143.9130 8836.6365 15.64_735.4506m/z 735.4506 15.64 9968.1385 10669.4099 10690.2598 11325.3733 10723.9592 10749.2686 15.64_743.4534m/z 743.4534 15.64 5320.0474 6522.1951 7291.0496 7368.6433 7666.3838 7740.2414 15.64_81.0705m/z 81.0705 15.64 150.2745 158.2596 160.2554 164.8129 165.5766 161.3561 C6H10O 2-Hexenal MEDIUM 15.64_832.4576m/z 832.4576 15.64 3295.3482 3722.0865 3942.5020 4303.7653 4024.5044 4186.1954 15.64_85.1016m/z 85.1016 15.64 84.9379 101.2593 107.2989 128.3203 112.5257 118.2534 C6H14O 1-Hexanol 113441 HIGH 15.65_137.1295m/z 137.1295 15.65 411.9812 405.2279 471.2257 490.0738 415.2008 453.8685 C8H18 "2,2-Dimethylhexane" MEDIUM 15.65_427.2958m/z 427.2958 15.65 52603.6540 59408.0234 50321.7459 56017.3383 59684.8650 59032.6679 15.65_558.1142n 559.1297 15.65 5785.0703 4006.5341 5582.1418 4183.9244 5205.6386 5251.6797 15.66_245.2247m/z 245.2247 15.66 244.2338 269.9474 192.8527 249.3714 262.7997 239.2897 15.66_719.4218m/z 719.4218 15.66 10379.5005 11422.7255 11341.3355 11794.3239 11448.2595 11096.9689 15.67_353.3265m/z 353.3265 15.67 1868.1025 1918.5898 1620.1044 1814.6547 1706.5578 1755.8275 15.67_466.3405n 489.3470 15.67 38277.9351 39011.3273 40040.2027 39961.2552 39391.1304 39541.7598 15.68_158.0961m/z 158.0961 15.68 464.7348 403.3927 438.4703 469.1925 427.4963 398.1460 15.68_284.6378m/z 284.6378 15.68 186.9283 188.9989 214.7938 232.3664 234.0904 164.9318 15.68_526.5146m/z 526.5146 15.68 3443.6020 3934.1748 2837.1543 3606.6949 4161.7999 3246.4384 15.68_690.4130m/z 690.4130 15.68 2546.7088 2605.9600 2828.8517 2844.4425 2893.7999 2756.4030 15.69_133.0993m/z 133.0993 15.69 113.9568 101.3479 166.2103 142.1913 147.8054 91.3169 15.69_245.1042n 229.0816 15.69 1276.7503 1163.5579 1135.6546 1059.5555 977.1678 918.0096 15.69_542.3625m/z 542.3625 15.69 11374.8017 12467.0889 18580.2656 19799.7648 18573.1227 15141.9845 15.70_121.1003m/z 121.1003 15.70 161.2290 85.4201 112.6799 149.6955 102.6959 106.0697 15.70_277.2011m/z 277.2011 15.70 9184.2612 8990.9600 9367.8539 9331.8205 9519.3737 8938.9374 15.70_309.1500m/z 309.1500 15.70 4919.6226 4889.0335 4900.2066 4973.4716 5070.0112 4826.8227 15.70_310.1803n 293.1771 15.70 31115.2070 30415.4409 31268.9502 30408.6906 31064.7280 29241.7199 15.70_311.1572m/z 311.1572 15.70 7174.4145 6775.8129 6692.1276 6434.6937 6633.9442 6123.1877 15.70_314.2757n 337.2691 15.70 73271.5160 71932.0421 75749.5175 72017.7778 74514.9122 77619.6164 15.70_315.1445m/z 315.1445 15.70 2533.6258 2508.6971 2716.0494 2525.2191 2761.2963 2415.0479 15.70_316.1906n 317.1468 15.70 27980.1211 27311.6145 27145.9391 27341.2006 27674.6769 25878.2668 15.70_321.1376m/z 321.1376 15.70 5776.9776 5802.0881 6064.2057 5995.9726 6010.4606 5718.9051 C13H22NO3PS Fenamiphos Fenamiphos 38680 MEDIUM 15.70_385.2553m/z 385.2553 15.70 8878.4133 9146.8182 8816.2206 9398.9245 9450.3594 9979.2941 15.70_436.2062n 459.2131 15.70 11657.7019 11601.6781 12226.6130 12015.7725 12105.0833 11673.4703 15.70_449.0997m/z 449.0997 15.70 842.2694 689.0641 687.1013 629.9521 687.6922 659.2435 15.70_464.3096m/z 464.3096 15.70 9983.8760 10651.2416 10260.4230 11095.9433 10656.0106 10270.4881 15.70_473.0658m/z 473.0658 15.70 557.8484 563.4698 506.1785 542.8542 426.1848 502.6208 15.70_512.4596m/z 512.4596 15.70 2076.1478 2068.7085 1959.7714 2033.9475 2105.1728 1765.4012 15.70_573.3507m/z 573.3507 15.70 4630.8944 4687.0910 4664.8192 4794.8861 4628.8704 4118.5276 15.70_591.3877n 575.3651 15.70 10072.0057 10017.8212 10383.6675 10500.2125 10294.2406 9521.8947 15.70_607.4569m/z 607.4569 15.70 8651.4117 8878.2417 9985.4670 10235.1227 9826.5627 9293.8836 15.70_644.3830n 667.4164 15.70 22348.3537 25077.0950 26012.8619 25349.1538 26592.2842 26059.8174 15.70_655.3412m/z 655.3412 15.70 3490.3610 3455.3001 3502.4866 3623.7663 3568.1707 3277.8734 15.70_77.0182m/z 77.0182 15.70 149.3029 154.1540 141.8534 133.9375 127.3288 119.7723 15.70_863.5089m/z 863.5089 15.70 8871.1018 9644.8507 9847.3541 10348.4250 10180.4664 9669.5719 15.70_867.4886m/z 867.4886 15.70 9824.1124 10867.1042 10637.3624 11837.8244 11554.9109 10657.0381 15.70_877.5917m/z 877.5917 15.70 3880.8256 4713.2102 5120.0713 5032.0226 5347.4741 4887.4887 15.70_888.5291m/z 888.5291 15.70 1784.0423 1966.9599 1939.6765 2094.0090 1926.7673 2015.3761 15.70_891.5293m/z 891.5293 15.70 5108.6026 5476.4388 5364.1896 5701.4738 5829.5310 5471.1700 15.70_935.5071m/z 935.5071 15.70 1886.0668 2319.7091 2503.9566 2786.4593 2598.3314 2189.2446 15.70_958.5771n 976.5031 15.70 2452.5430 2671.8883 3084.4065 3366.0139 3291.7051 2745.3128 15.71_282.6649m/z 282.6649 15.71 387.5692 390.5427 424.8436 449.3341 415.7678 298.9356 15.71_297.2102m/z 297.2102 15.71 4955.7747 4650.2960 4826.5513 4482.8824 4702.9889 4647.0061 15.71_409.2483m/z 409.2483 15.71 12652.1465 12147.1178 13153.1878 12184.5218 12739.7125 13717.9823 15.71_447.1024m/z 447.1024 15.71 1283.1097 1095.4287 1257.7826 1146.7719 1191.0079 1110.8739 15.71_450.7413n 451.7162 15.71 1608.8440 1941.8408 1870.1525 1864.7954 1921.8226 1397.0753 15.71_681.3513m/z 681.3513 15.71 2928.6020 3049.0799 3007.9747 3043.1199 3198.8040 4196.9648 15.71_837.6678m/z 837.6678 15.71 5063.2695 19586.2313 21185.4113 19238.2591 22005.5333 21925.7049 15.71_840.4876m/z 840.4876 15.71 4959.3881 5456.3153 5614.0779 5781.5285 5865.8353 5405.9781 15.71_968.4679m/z 968.4679 15.71 816.8439 867.2568 866.3194 1073.6013 1064.5990 817.3857 15.72_312.6386n 335.6190 15.72 510.6538 555.7224 549.1465 517.6668 600.3850 454.3923 15.72_326.6351m/z 326.6351 15.72 219.8821 271.9020 283.6834 283.4276 243.6905 199.6590 15.72_348.6032m/z 348.6032 15.72 103.9343 85.1488 114.0102 55.1927 106.4328 74.5266 15.72_349.6016m/z 349.6016 15.72 73.2301 88.6005 86.0689 79.7040 98.1337 72.7765 15.72_379.2247m/z 379.2247 15.72 1482.8744 1403.7993 1432.2534 1265.8974 1376.4412 1341.6477 15.72_435.2430m/z 435.2430 15.72 11287.6975 11891.5419 12063.2262 11840.8665 12016.2971 11819.1236 15.72_559.3743m/z 559.3743 15.72 15264.9350 15214.3578 15362.6314 15516.5880 15187.4894 14819.3770 15.72_835.5581m/z 835.5581 15.72 2592.3720 2894.1876 2973.0914 2865.7182 2994.1992 2741.1284 15.74_128.0615m/z 128.0615 15.74 203.4837 186.6840 150.5857 208.1580 181.4783 184.8514 15.74_281.2142n 304.2594 15.74 29316.7849 27206.3569 29486.9762 26568.1376 28256.3290 28098.1665 15.74_623.4361m/z 623.4361 15.74 21887.5906 22139.9029 23865.5944 24312.4264 24123.1090 22851.3796 15.74_977.6684m/z 977.6684 15.74 1610.7676 1741.0687 1685.7051 1708.2119 1736.3270 1639.2197 15.76_109.1010m/z 109.1010 15.76 746.7218 814.4919 831.7791 791.2501 792.3406 832.6707 C8H14O 2-Octenal MEDIUM 15.76_213.1488m/z 213.1488 15.76 750.3574 719.7275 706.4720 691.5550 638.7980 672.3510 15.76_247.2401m/z 247.2401 15.76 1561.1695 1456.0608 1460.7956 1598.8159 1684.7937 1722.8945 15.76_269.2238m/z 269.2238 15.76 6573.2013 6880.7548 6608.6325 7002.6505 6630.3126 6369.6216 C20H30O Vitamin A Retinol 17336 MEDIUM 15.76_282.2777m/z 282.2777 15.76 9050.8688 8490.1937 9196.3149 8036.6917 8798.1579 9109.4239 15.76_630.8938m/z 630.8938 15.76 264.6424 198.2532 210.1095 327.2574 225.3776 170.1243 15.76_639.9047n 623.9064 15.76 637.0614 652.9386 636.4094 779.2612 704.4904 650.5132 15.76_651.8965n 634.8932 15.76 1737.7935 2113.9884 1983.9872 2187.4297 2200.2231 1778.6021 15.76_855.4585m/z 855.4585 15.76 2991.1525 3180.7086 3524.4049 3587.4556 3609.1131 3516.3089 15.76_95.0857m/z 95.0857 15.76 838.6427 882.0239 900.9114 862.4604 934.9782 893.7677 C7H12O 2-Heptenal MEDIUM 15.76_953.7171m/z 953.7171 15.76 3899.9080 3808.9111 4063.8762 4085.4362 4161.8092 3548.4727 15.76_969.5693m/z 969.5693 15.76 26731.0162 26068.0019 25759.6322 27462.6368 27496.7046 25251.3335 15.77_112.0279m/z 112.0279 15.77 492.7092 503.9653 499.2292 470.1793 488.6881 474.3480 15.77_223.6542m/z 223.6542 15.77 165.7752 191.8697 183.3507 167.1494 201.5104 205.6600 15.77_231.1408m/z 231.1408 15.77 2852.3250 3016.8031 3021.4253 2955.1132 3037.7182 3039.4878 15.77_231.6433m/z 231.6433 15.77 554.2492 604.7865 622.6883 591.8116 608.6140 615.6694 15.77_238.2273n 239.2355 15.77 13003.2288 13615.1441 13594.5875 13449.1571 13889.2270 13887.7493 15.77_239.1756n 257.2453 15.77 3091.9067 3219.8897 3248.4969 3292.7267 3297.0084 3342.7811 15.77_285.6471m/z 285.6471 15.77 2013.7727 2364.5098 2117.2808 2668.6396 2435.4170 2079.5182 15.77_286.1492m/z 286.1492 15.77 1238.2983 1221.8806 1232.8564 1224.4535 1241.5020 1153.9074 15.77_313.3298m/z 313.3298 15.77 1661.4386 1890.2396 1752.3432 1705.3832 1814.3834 1849.4187 15.77_342.7689m/z 342.7689 15.77 9291.4658 9780.8553 9993.9270 10184.1890 10332.7660 10270.7114 15.77_350.2546m/z 350.2546 15.77 101922.1867 103909.8523 112217.3070 108329.3459 113472.9454 111404.6750 15.77_350.4093m/z 350.4093 15.77 603.1104 550.9867 537.8763 394.1653 423.8784 380.9916 15.77_350.7577m/z 350.7577 15.77 34359.9488 35531.0016 38030.8114 37139.3036 38795.8045 38235.5136 15.77_359.7439m/z 359.7439 15.77 1864.2531 1934.0447 1947.6015 1903.0051 1900.9431 1933.6815 15.77_362.7411m/z 362.7411 15.77 1159.9004 1366.9625 1296.2989 1326.4270 1325.6248 1408.1137 15.77_371.2521m/z 371.2521 15.77 7266.3080 7084.2551 7381.8110 7158.4982 7269.1319 7279.1239 15.77_374.7470n 357.7437 15.77 1440.5467 1520.8021 1568.6538 1567.6733 1565.9589 1576.0677 15.77_430.8040m/z 430.8040 15.77 4086.6014 4926.4253 4812.4369 5101.7589 4805.9590 4194.2055 15.77_431.3135m/z 431.3135 15.77 1697.7697 2038.3148 1815.4922 2005.1789 1834.6656 1778.8989 15.77_438.8015m/z 438.8015 15.77 5223.9295 5654.8754 5502.0978 6211.2215 5796.3863 5111.1365 15.77_439.3035m/z 439.3035 15.77 2394.9876 2642.1717 2427.3602 2708.4405 2545.7070 2184.4577 15.77_472.7660m/z 472.7660 15.77 346.1763 413.7802 338.7999 396.0475 353.6833 360.5974 15.77_497.8605n 515.8943 15.77 164647.9236 182402.4706 180077.9917 189184.3732 190631.6279 186295.8951 15.77_506.3907n 507.3980 15.77 210087.7873 226511.8292 217466.4915 234966.1663 228067.3628 221354.6548 15.77_507.9053m/z 507.9053 15.77 51374.5277 56707.6233 55499.6608 57903.7697 57659.8731 57583.8353 15.77_515.3926m/z 515.3926 15.77 291400.4022 321582.2750 318003.2776 332778.6637 335500.6488 330310.2556 15.77_515.5818m/z 515.5818 15.77 4959.6063 5318.5129 5321.5131 5526.8378 5095.8006 5124.6342 15.77_527.8780m/z 527.8780 15.77 51342.7095 58096.9636 55451.9189 60710.4412 59698.8401 58638.2467 15.77_538.9034n 522.8808 15.77 7800.9411 8387.1080 8289.6592 8816.8988 8824.4463 8435.4401 15.77_540.8845n 524.8813 15.77 24377.2606 26126.9846 26221.9982 27040.9120 27142.4616 26355.6308 15.77_595.9384m/z 595.9384 15.77 1101.3861 1356.5245 1216.2559 1495.4048 1362.1002 1251.3253 15.77_603.9377m/z 603.9377 15.77 2738.2281 4669.1896 4405.1144 4686.6190 4918.7788 4398.9216 15.77_615.9127m/z 615.9127 15.77 1032.4666 1333.9612 1207.8442 1402.1730 1206.4972 1064.8875 15.77_617.3689n 640.4147 15.77 14062.5316 14161.7816 15278.4860 15184.3133 15005.8045 14247.5325 15.77_620.4610n 643.3964 15.77 23470.3709 25419.9555 27201.6030 26167.4356 26465.6338 25686.2026 15.77_624.9416n 625.9131 15.77 1475.3361 1640.4748 1424.8238 1905.8762 1788.6926 1535.3973 15.77_642.8795m/z 642.8795 15.77 717.2781 782.0761 623.4641 755.5823 779.6550 584.7036 15.77_665.4499n 683.5373 15.77 168038.3742 167614.1598 177242.5010 172181.3994 179489.9490 175335.5256 15.77_672.5377m/z 672.5377 15.77 6611.4248 7242.4707 7157.4940 7191.6221 7274.8732 7240.0710 15.77_673.0431m/z 673.0431 15.77 3725.2945 4050.6683 3875.6122 3935.2413 4119.2358 4074.3042 15.77_679.5230n 680.5303 15.77 26781.0226 28517.0294 28552.8646 27981.7755 29170.0672 29124.7129 15.77_681.0327m/z 681.0327 15.77 15611.9127 16661.5690 16361.1452 16754.2356 17305.7547 16983.1047 15.77_689.4252n 707.4590 15.77 36095.6345 36913.0053 39809.5763 39007.0091 39003.8570 39446.7651 15.77_691.5041n 714.4657 15.77 119315.6843 124615.4924 122873.6437 122925.2834 123637.1243 122551.8261 15.77_699.9955m/z 699.9955 15.77 540.1312 609.9912 561.1676 528.5472 583.5763 579.0447 15.77_700.9358n 718.9696 15.77 6806.7728 6795.9820 7297.1245 6735.3175 7096.8295 6874.5795 15.77_702.0392n 686.0166 15.77 11957.1274 12911.3106 13324.3770 13568.5327 13827.9107 13430.0655 15.77_706.0412n 690.0186 15.77 9956.5693 10658.1758 10585.9795 10578.8421 10902.9880 10472.6424 15.77_709.0383n 693.0158 15.77 22832.7726 25379.6351 23856.3073 25654.1938 25652.3637 25472.0417 15.77_740.4733n 723.4700 15.77 98363.9768 103269.6947 104545.6112 106226.1453 106972.1931 105563.4864 15.77_744.4702n 745.5081 15.77 122133.5613 123247.8902 130368.6767 125076.3580 127935.6663 128496.0865 15.77_749.9475m/z 749.9475 15.77 1627.6684 1449.1688 1563.5836 1328.1564 1368.9616 1449.4995 15.77_97.1011m/z 97.1011 15.77 656.4350 640.6582 679.4152 670.6582 710.2238 679.6787 C7H14O 5-Methyl-2-hexanone MEDIUM 15.78_123.1158m/z 123.1158 15.78 732.9960 704.6649 792.2409 723.6767 773.4600 752.9776 C9H16O 2-Nonenal MEDIUM 15.78_137.1310m/z 137.1310 15.78 614.7535 620.0896 632.4433 585.7026 604.9980 616.8826 C8H18 Octane Octane 17590 MEDIUM 15.78_271.2614m/z 271.2614 15.78 41419.7704 43820.7015 44082.7670 43664.9607 45330.5751 44074.3059 15.78_295.1942m/z 295.1942 15.78 28143.3462 27554.6123 29101.5964 27916.5060 28530.2019 27958.3770 C14H30O4S Sodium Tetradecyl Sulfate 782257 HIGH 15.78_330.2747n 313.2714 15.78 408292.7323 435608.9460 435419.6175 441467.0205 446411.5736 445222.7737 15.78_330.4214n 353.4224 15.78 109939.5571 111653.8304 116853.4785 114466.3690 113097.8273 113546.8746 15.78_330.4683n 353.4838 15.78 104090.0826 109139.3231 117876.9606 113085.7328 90008.1130 94426.0255 15.78_342.2671m/z 342.2671 15.78 21185.4202 22317.1964 22793.4725 22869.9571 23059.4069 23154.8058 15.78_533.8573m/z 533.8573 15.78 978.2166 992.9959 1018.5140 952.6826 983.2366 910.3104 15.78_570.8397m/z 570.8397 15.78 209.2892 271.8926 254.2228 262.4641 288.6490 290.4681 15.78_737.9583m/z 737.9583 15.78 3250.6914 3304.6780 3618.9285 3381.0001 3352.6594 3481.6294 15.78_751.4990n 735.4765 15.78 55575.3017 58568.7549 61169.6694 59589.0159 60861.3633 59564.8943 15.78_81.0704m/z 81.0704 15.78 411.9475 441.7833 474.6752 451.8432 485.9157 469.4077 C6H10O 2-Hexenal HIGH 15.78_83.0861m/z 83.0861 15.78 537.4815 550.8038 548.0359 535.8179 546.8994 539.0219 C6H12O Cyclohexanol Cyclohexanol 18099 MEDIUM 15.78_837.4114m/z 837.4114 15.78 2535.9490 3497.5639 4011.5617 3472.6429 3859.8027 3723.9862 15.78_85.1016m/z 85.1016 15.78 252.9761 218.6896 253.8468 261.5875 272.7654 245.4232 C6H14O 1-Hexanol 113441 MEDIUM 15.78_850.6158m/z 850.6158 15.78 1106.9109 1232.1987 1203.3067 1261.8289 1270.0174 1245.4487 15.78_882.5437m/z 882.5437 15.78 3257.6717 3527.6368 3568.7303 4103.0643 4229.8410 4211.1701 15.79_363.2797m/z 363.2797 15.79 14493.7226 13812.9354 14977.4938 13957.0208 14218.5330 14997.2852 15.79_370.2441m/z 370.2441 15.79 633.0959 570.7940 743.8202 665.1589 682.0678 724.7382 15.79_375.2462m/z 375.2462 15.79 18927.5826 18980.6187 20042.8622 19364.8976 24019.5462 24466.2704 15.79_406.2591n 429.1777 15.79 13723.1008 12945.2800 13781.4456 12800.3470 13370.2687 13634.9748 15.79_521.3559m/z 521.3559 15.79 10145.3043 10230.1472 10154.2116 10305.0673 10076.1932 9916.1393 15.79_537.3681m/z 537.3681 15.79 5858.1479 5652.4749 5937.5134 5638.3913 5700.6356 5599.8537 15.79_582.9187m/z 582.9187 15.79 855.6955 1347.6795 1362.1629 1516.3487 1371.6699 1439.8438 15.79_699.4958m/z 699.4958 15.79 9496.0486 9626.2218 10336.9324 9841.9936 9984.3418 9972.7829 15.79_711.9860m/z 711.9860 15.79 5403.5627 5268.8472 5551.0487 5363.9014 5460.4881 5133.7566 15.79_730.5182m/z 730.5182 15.79 15166.6651 14995.5924 15995.5172 15212.7198 15571.0662 15478.9267 15.79_746.9853n 730.9627 15.79 3102.3727 2989.4820 3204.3169 3026.9257 2962.2098 2934.4861 15.79_748.4517n 749.4590 15.79 66768.9284 70517.6151 72467.2688 72874.0258 72510.8379 72489.7562 15.79_757.5968m/z 757.5968 15.79 64.6798 1152.2358 1429.7254 1090.4680 1270.4114 1400.2306 15.79_79.0129m/z 79.0129 15.79 91.0857 68.0526 90.6449 78.2871 79.5102 77.6599 H4N2O4 Hydroxylammonium nitrate MEDIUM 15.79_853.4589m/z 853.4589 15.79 4161.1777 4060.2255 4753.5492 4711.8649 4687.4710 4476.8357 15.79_891.1003m/z 891.1003 15.79 152.5164 143.5749 150.0512 135.6826 154.8664 147.8212 15.80_353.1847m/z 353.1847 15.80 17665.3419 20648.5131 10621.5421 16162.2422 13316.9959 10639.7138 15.80_353.5205m/z 353.5205 15.80 15324.2467 17863.4749 11421.6319 12291.7243 9184.0925 10862.5685 15.80_354.3316m/z 354.3316 15.80 3790.5631 3275.2327 3166.1069 3115.2120 3892.3842 3986.6504 15.80_637.3911m/z 637.3911 15.80 15213.3577 15505.1318 16144.0507 15959.4380 15802.8087 15541.3650 15.80_815.6910m/z 815.6910 15.80 3549.1439 60117.5219 69575.1925 56439.3381 68954.4011 71442.8660 15.81_353.2659m/z 353.2659 15.81 2119218.2960 2219106.8630 2299925.0740 2305022.8070 2413188.8240 2435720.5870 15.81_415.2356m/z 415.2356 15.81 84468.5417 81453.8382 86474.9527 80261.7658 83509.4972 85941.3236 15.81_431.2201m/z 431.2201 15.81 18115.5002 18233.1136 19164.0004 18353.3875 18825.6415 19495.8668 15.81_435.2089m/z 435.2089 15.81 6672.1786 6341.1623 6438.2183 5899.4425 6001.7412 6153.4837 15.81_441.1998m/z 441.1998 15.81 19495.0647 18805.9510 20036.2763 18654.3795 19730.3886 19973.1679 15.81_443.1993m/z 443.1993 15.81 17906.5527 16926.7557 18033.9440 16842.5194 19736.8645 29519.0868 15.81_494.5620m/z 494.5620 15.81 2287.8418 2132.0205 2343.9853 2112.6956 2174.4066 2200.8913 15.81_513.3456m/z 513.3456 15.81 12081.5223 11928.9128 12400.1622 12432.7469 12126.9974 13516.2669 15.82_131.0009m/z 131.0009 15.82 611.8925 598.7501 612.5167 509.6133 565.1314 581.4985 15.82_353.7888m/z 353.7888 15.82 3093.4530 2980.7592 2681.7758 2534.0226 2705.7579 3013.7719 15.82_416.2605n 399.2572 15.82 69820.1235 67087.3885 71775.8946 66991.4621 69072.5541 71074.3660 15.82_524.1455n 547.1191 15.82 2106.5858 1568.6347 1873.2699 1395.0813 1696.5161 1675.3786 15.82_540.5276m/z 540.5276 15.82 237.7701 174.0736 223.1544 154.0318 179.4068 172.6148 15.82_549.1166m/z 549.1166 15.82 1417.0116 1193.2161 1383.3778 1158.4176 1165.0817 1245.2040 15.82_551.1165m/z 551.1165 15.82 1591.4042 1288.5205 1617.1624 1385.8984 1528.3080 1435.8392 15.83_381.7135m/z 381.7135 15.83 291.6051 284.5853 291.3401 204.3061 305.2372 324.7704 15.83_429.3425n 413.3199 15.83 46803.0575 46663.5716 48809.6528 48274.0609 45947.8292 48290.2102 15.84_195.1200m/z 195.1200 15.84 318.2758 309.5243 375.0755 338.5866 369.2824 354.1939 15.84_593.8996n 611.9334 15.84 1321.7491 1763.1851 1656.2709 1925.9102 1850.0499 1847.8033 15.85_307.6151m/z 307.6151 15.85 457.0219 496.7545 451.2984 487.6556 481.8765 355.5547 15.85_439.3078m/z 439.3078 15.85 4075.5127 4685.0950 4530.6866 4882.9013 4686.8831 4610.9084 15.85_445.7900n 446.7973 15.85 29795.5783 33175.9250 31436.0143 35412.7377 33794.7587 31950.5676 15.85_454.8301n 438.8075 15.85 11359.0541 12565.0002 11878.2274 13102.9575 12543.5291 11826.9045 15.85_458.7807m/z 458.7807 15.85 13207.7742 14990.3990 14131.2839 15346.2994 14997.4515 13748.9563 15.85_471.7839m/z 471.7839 15.85 3055.6059 3504.8114 3143.4314 3424.2072 3172.4250 2946.2300 15.85_474.7779m/z 474.7779 15.85 1757.4153 1886.6323 1926.5780 2020.1811 1956.7643 1848.6259 15.85_477.7914m/z 477.7914 15.85 11553.8417 12085.9036 12145.6613 12183.9473 12688.1344 12072.4765 15.85_485.7482m/z 485.7482 15.85 1731.3897 1731.4666 1832.2696 1780.5375 1791.0559 1786.9267 15.85_489.7362m/z 489.7362 15.85 4710.6482 5080.1707 4884.0764 5226.0320 5039.1746 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15.90_351.2304m/z 351.2304 15.90 39880.5672 39633.6414 41190.8872 42250.3609 40770.4113 39894.2593 C22H32O2 Retinol acetate 32095 MEDIUM 15.90_369.2949m/z 369.2949 15.90 21302.7379 19654.9929 22664.9093 20739.2338 21239.3476 22322.7158 15.90_390.2158n 373.2125 15.90 10175.2156 9940.7460 10432.8603 10308.1959 10354.2732 10156.2281 15.90_930.5327n 914.5101 15.90 18132.0116 21636.6750 23685.4729 25580.6712 24327.0992 22120.0032 15.91_144.0838n 167.0782 15.91 804.0390 785.8402 801.6260 833.4865 781.9407 869.6418 15.91_196.0823m/z 196.0823 15.91 183.5911 122.3505 185.6693 166.1128 171.2954 161.6616 15.91_287.2332m/z 287.2332 15.91 1710.1201 1756.2412 1738.1879 1819.3771 1665.4301 1733.6164 C20H33NO Fenpropimorph 50148 MEDIUM 15.91_343.2480n 327.2254 15.91 69864.8090 69786.3858 71803.3488 73535.2224 69209.3008 67508.4534 15.91_359.1655m/z 359.1655 15.91 3685.0780 3627.6187 3721.7575 3757.8753 3732.8028 3601.3354 15.91_367.1679m/z 367.1679 15.91 24389.5371 23907.0023 24665.6056 24728.3860 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15448.6224 14214.8965 14620.8900 14649.9642 13684.3792 15.93_710.4318n 693.4285 15.93 20044.1957 20465.1927 20936.1242 21363.1970 21271.2834 19914.3498 15.93_728.4199m/z 728.4199 15.93 8135.7729 8642.9233 8673.6698 8970.6117 8587.7760 8612.3911 15.93_731.3608m/z 731.3608 15.93 6867.7713 7084.4019 7175.1220 7197.0496 7015.9873 6718.7689 15.93_837.6660m/z 837.6660 15.93 3091.3355 15576.7278 17411.0101 15421.7872 17861.1282 17303.8232 15.93_882.5125m/z 882.5125 15.93 6257.7561 6769.7982 7149.1682 7937.6372 8109.6303 7618.1858 15.93_888.4968m/z 888.4968 15.93 13294.1820 14187.7468 14737.9574 16151.7725 15603.9186 15504.5417 15.93_955.6387m/z 955.6387 15.93 8271.2154 8715.2898 8878.6943 10073.0330 9686.9026 9512.8653 15.93_965.5634m/z 965.5634 15.93 22507.9452 22672.1834 23227.3246 25099.7688 23823.5390 22564.4280 15.93_980.5934m/z 980.5934 15.93 1838.4665 1903.3103 2142.8097 1798.9262 1931.1328 1851.1376 15.93_988.5746m/z 988.5746 15.93 22799.8169 23272.4561 22866.0793 24836.0029 23260.6414 22592.5118 15.94_133.0989m/z 133.0989 15.94 249.2593 250.5712 272.4122 255.0738 217.4212 271.1663 C10H15N "2,6-Diethylaniline" MEDIUM 15.94_139.9239m/z 139.9239 15.94 78.5947 45.0414 59.9624 32.6672 13.5615 73.1489 15.94_178.1322n 161.1289 15.94 608.2686 638.2668 696.5469 647.9998 681.7249 628.0359 15.94_189.1589m/z 189.1589 15.94 332.5855 346.9187 388.9800 424.3638 318.0796 345.3990 C9H20N2O2 Propamocarb MEDIUM 15.94_223.1684m/z 223.1684 15.94 335.4360 357.5526 387.9243 371.3208 373.6956 336.7733 C12H24O2 Dodecanoic acid Lauric acid 30805 MEDIUM 15.94_262.2279n 263.2312 15.94 6289.3535 6158.5762 6399.7593 6597.9667 6560.5209 5990.9228 15.94_303.2203m/z 303.2203 15.94 88860.6862 88413.9890 90746.0360 90942.0197 92329.1337 87074.6214 15.94_335.1536m/z 335.1536 15.94 18137.8974 18004.7145 18819.0655 18490.0980 19173.7021 17725.6495 15.94_336.1953n 319.1920 15.94 100765.0050 99046.0098 103034.6581 102100.4454 101759.2903 95763.9032 15.94_339.1611m/z 339.1611 15.94 12431.6649 12147.2439 12753.2621 12377.1374 12308.7302 11666.5913 15.94_342.2129n 343.1663 15.94 116143.9034 114844.5401 118233.3763 118103.2392 118516.4643 113078.0013 15.94_345.1571m/z 345.1571 15.94 37963.8486 37570.2926 38608.9647 38477.4735 38179.8692 36352.9539 C20H22N2O2 Gelsemine MEDIUM 15.94_347.1562m/z 347.1562 15.94 24731.8338 24399.3535 25080.0359 24884.4154 25174.0384 23684.6820 C20H21FN2O Escitalopram Escitalopram 36791 MEDIUM 15.94_376.1687m/z 376.1687 15.94 1022.7308 1092.4881 1168.5728 1182.0232 1127.9746 1047.7282 15.94_535.3868m/z 535.3868 15.94 19549.2140 20328.2435 19480.4014 22058.6158 20451.3518 19073.6879 15.94_583.4493m/z 583.4493 15.94 25682.0174 25546.7675 25899.9961 27418.9960 27454.0447 25671.6706 15.94_599.4299m/z 599.4299 15.94 73972.1065 74560.8894 74767.1335 80339.6326 78947.3840 72420.8909 15.94_622.4386n 623.4024 15.94 59058.5271 59645.1927 60509.9938 61732.9017 62089.8472 58792.6946 15.94_627.3989m/z 627.3989 15.94 13364.0149 13215.8895 13744.7162 14034.7102 14255.2431 13818.5941 15.94_638.4045n 621.4012 15.94 15535.2905 15683.2257 15578.5332 16086.1847 16123.5466 15095.9521 15.94_640.5406n 663.5911 15.94 3813.6834 3845.5711 4042.2688 3689.2136 3342.7688 3787.9149 15.94_649.4795n 633.4569 15.94 26267.1787 27583.4158 27639.4207 29030.9633 28373.4268 27734.5506 15.94_663.4152m/z 663.4152 15.94 16856.5851 16822.6468 17563.1768 17652.9788 17401.0664 16807.2297 15.94_696.4339n 719.4503 15.94 34938.6214 36342.6097 36710.7473 37815.8160 37053.7239 36498.9816 15.94_700.3944n 683.3911 15.94 7870.0577 7947.3238 7021.1453 7327.7043 7349.4341 7018.9624 15.94_724.3724n 707.3691 15.94 16446.8010 16898.8584 15872.8432 16410.2761 15929.9136 15417.3627 15.94_735.3282m/z 735.3282 15.94 4173.5351 4153.7167 3877.6557 3883.3758 3684.6548 3548.7265 15.94_900.6159n 901.6232 15.94 17128.9504 18743.7233 19068.6067 20782.1767 21791.3271 20336.7752 15.94_907.5741m/z 907.5741 15.94 14194.7751 15141.5033 16860.8317 18061.0450 18436.7461 18383.9029 15.94_917.6157m/z 917.6157 15.94 10095.9314 10471.4265 11604.1482 13958.0699 13588.6634 12542.6293 15.94_924.5728n 947.5952 15.94 45047.9191 44991.0402 45333.5778 48141.6885 50122.4326 48276.1743 15.94_927.6047m/z 927.6047 15.94 24959.1698 26263.8892 26555.5610 29402.6390 30356.9718 29629.0101 15.94_958.5910n 941.5878 15.94 55139.7775 55819.2700 59330.7486 66178.5539 66367.3385 60973.0259 15.95_462.2153n 485.2244 15.95 28827.3970 29161.3646 30841.3863 30353.6895 31600.3733 29234.3912 15.95_471.2179m/z 471.2179 15.95 5312.7718 5318.0251 5639.1478 5550.3691 5555.9821 5352.9567 15.95_473.1179m/z 473.1179 15.95 2676.4624 2365.5835 2633.3522 2319.3976 2578.0085 2314.4107 15.95_501.0819m/z 501.0819 15.95 1512.2133 1155.2302 1371.2078 1161.4229 1242.2576 1100.4371 15.95_559.3876m/z 559.3876 15.95 9913.9553 10433.8427 10351.2269 11378.3260 10407.5351 10069.2720 15.96_243.1117m/z 243.1117 15.96 1235.5509 1311.2604 1365.6438 1326.5884 1285.1107 1325.3419 15.96_286.6736m/z 286.6736 15.96 413.3374 428.9257 447.5389 531.0136 411.9549 404.1512 15.96_429.1669m/z 429.1669 15.96 1038.2205 881.0026 1057.0335 861.9125 989.1961 776.5478 15.96_475.1154m/z 475.1154 15.96 2477.9327 2115.4101 2257.7700 2015.6314 2065.1653 1919.6165 15.96_686.4975m/z 686.4975 15.96 9585.7987 9867.0914 11943.5540 12793.9979 12329.8847 12195.7030 15.98_326.2708m/z 326.2708 15.98 260.9674 426.0447 358.9755 248.8819 317.3024 338.6949 15.98_379.3444m/z 379.3444 15.98 1543.8980 2042.0599 1626.5355 1836.4096 1798.3387 2027.7759 15.98_490.3112n 513.3435 15.98 10165.5181 10433.4401 10264.4442 11025.0540 10176.1423 9917.8672 15.98_540.4921m/z 540.4921 15.98 3002.7782 3326.4087 2788.4453 3197.1610 2982.2335 2803.7929 15.99_247.2400m/z 247.2400 15.99 4143.5484 4484.8638 4294.2720 4888.7992 4506.7957 4547.1904 15.99_282.2528n 265.2495 15.99 17092.6670 18368.8874 18092.7011 19256.4798 18718.1406 18749.1138 15.99_285.6527m/z 285.6527 15.99 66.1513 91.1060 121.7169 104.3852 97.3839 109.0680 15.99_294.6685m/z 294.6685 15.99 1497.7333 1640.0951 1650.2137 1828.6599 1711.5452 1570.8568 15.99_297.6457m/z 297.6457 15.99 228.4897 305.0234 266.1123 298.7925 281.6169 243.4152 15.99_306.6525m/z 306.6525 15.99 330.4690 302.0652 285.6622 369.3846 274.2516 246.3171 15.99_314.2734n 337.2685 15.99 14473.7317 13887.0159 15292.9648 13900.6319 14397.0524 14121.7723 15.99_356.2883n 379.2787 15.99 593035.2914 642727.9909 624109.9131 684736.9788 659708.6865 661082.8810 15.99_379.4412m/z 379.4412 15.99 7102.8369 8000.5549 7167.8683 8647.2475 7326.8351 7552.1530 15.99_382.2784m/z 382.2784 15.99 6831.1692 6902.8531 6902.5538 6809.4458 6742.3331 6750.2020 15.99_419.2132m/z 419.2132 15.99 4951.9831 5291.0530 5127.5972 5252.2839 5294.9644 5325.8881 15.99_423.2523m/z 423.2523 15.99 9778.7655 9863.9611 10267.1181 10182.3009 10314.0369 10705.1560 15.99_572.3588m/z 572.3588 15.99 27223.2110 28980.1754 27750.7238 29674.4248 28325.2755 26917.1523 15.99_619.5582m/z 619.5582 15.99 13614.4333 13733.1244 14279.3225 14257.7682 13736.8411 14133.4810 15.99_735.5513m/z 735.5513 15.99 2957.4079 3388.9939 3262.3096 3773.1059 3719.1249 3642.1817 15.99_739.4846m/z 739.4846 15.99 10954.1564 11620.0819 11980.9311 12122.3361 11832.6569 11500.5275 15.99_893.6709m/z 893.6709 15.99 9620.4677 10131.6212 20483.1094 22841.5482 22369.3548 25596.9868 16.01_499.3397m/z 499.3397 16.01 2772.3912 2766.9600 2834.9555 2833.0195 2761.6004 2776.5573 16.01_522.5929m/z 522.5929 16.01 9984.8858 9870.0601 10559.3684 9699.8568 10349.6067 10125.0252 16.02_307.1958m/z 307.1958 16.02 3347.1497 3279.3449 3325.0869 3337.4486 3465.4098 3148.5578 16.02_311.1978m/z 311.1978 16.02 6257.0527 5979.6834 6897.9067 6443.1377 6862.4732 6454.0792 C17H19N5 Anastrozole Anastrozole 2704 MEDIUM 16.02_459.3387m/z 459.3387 16.02 8576.9133 9577.3216 8439.1149 10002.6531 9353.5517 9245.9909 16.02_551.1245m/z 551.1245 16.02 538.9150 477.5362 540.4815 387.7572 506.7058 533.9242 16.03_319.6727m/z 319.6727 16.03 23.7672 47.2908 23.8869 49.9316 36.5575 33.7727 16.03_508.5769m/z 508.5769 16.03 239.6055 196.5459 230.0471 177.1875 244.5977 141.1586 16.05_195.0053m/z 195.0053 16.05 1799.4574 1829.9934 1890.7613 1835.0766 1756.6562 1732.6386 16.05_288.6689m/z 288.6689 16.05 97.3318 76.9037 103.6902 107.5932 75.8899 68.9918 16.05_477.3426m/z 477.3426 16.05 19677.6611 19678.4845 19819.0330 19897.6325 19348.5564 18931.7533 16.05_735.4434m/z 735.4434 16.05 5968.7632 6712.6668 6228.7150 6663.2234 6746.1371 6556.5152 16.06_253.2504m/z 253.2504 16.06 227.2297 309.3723 254.7595 317.5496 258.9475 287.0445 16.06_285.2745m/z 285.2745 16.06 645.9088 827.8884 671.2832 811.6436 769.9702 691.0334 16.06_323.2654m/z 323.2654 16.06 7762.2040 7835.1914 8111.7729 8049.4955 7494.9024 8061.0234 16.06_327.2855m/z 327.2855 16.06 5912.7405 6880.6558 5927.2910 7026.2635 6584.5256 6502.7312 C20H41NO3 Dihydroceramide C2 MEDIUM 16.06_384.2810n 367.2778 16.06 140162.6971 156026.3805 148935.5875 163427.5846 155662.0867 160636.8227 16.06_429.2676m/z 429.2676 16.06 10276.8176 11056.2178 10938.0292 11667.1343 12464.1836 16631.8147 16.06_487.3270m/z 487.3270 16.06 16764.9869 17038.1429 16637.2124 17365.2771 17983.0603 24442.1566 16.08_393.1761m/z 393.1761 16.08 2780.5918 3003.1016 2812.4386 3071.5263 2941.1105 2488.7012 16.08_395.2664m/z 395.2664 16.08 15608.0779 15768.1393 16034.0684 16070.5106 15605.7671 15978.2598 C23H36N2O2 Finasteride Finasteride 5062 MEDIUM 16.08_583.8867m/z 583.8867 16.08 416.7658 426.6086 389.3390 561.0917 446.4791 478.6958 16.09_253.8632m/z 253.8632 16.09 178.0882 224.1197 240.9103 139.2979 164.3135 150.9236 16.09_363.2618m/z 363.2618 16.09 7750.0051 7725.8415 8471.9993 8313.8459 7914.5323 7718.7978 16.09_496.4556n 519.4441 16.09 40255.0571 38903.2972 40735.4999 39137.9469 39596.5613 39712.9976 16.09_610.1606n 633.1458 16.09 6930.3247 5235.4974 6486.4728 5800.3908 6406.4772 6155.3913 16.10_130.9291m/z 130.9291 16.10 156.5376 150.9792 150.2793 142.1964 140.5434 126.5251 16.10_224.9032m/z 224.9032 16.10 921.3560 790.0550 881.0146 721.8985 624.8352 719.6172 16.10_259.2026m/z 259.2026 16.10 599.7953 624.0208 663.9526 619.5429 578.0735 528.7812 16.10_273.6638m/z 273.6638 16.10 517.7413 587.3978 548.6215 595.8593 584.4465 588.7748 16.10_477.8192m/z 477.8192 16.10 2035.9818 2154.5069 1912.6945 1862.7446 1782.5867 1854.2650 16.10_530.3475m/z 530.3475 16.10 6136.3313 6713.9277 6560.4747 7109.2508 5858.6351 5099.8656 16.10_536.6075m/z 536.6075 16.10 703.6488 688.3623 759.7614 593.0421 640.9627 675.7026 16.11_173.1303m/z 173.1303 16.11 492.9955 436.3069 551.0244 485.3014 619.6298 571.3145 16.11_213.1453m/z 213.1453 16.11 304.1732 239.2066 245.6145 237.2351 218.7254 256.6898 16.11_321.2659n 305.2433 16.11 25187.1948 23882.4277 26470.7371 24616.1404 25332.1234 24967.2220 16.11_487.8152m/z 487.8152 16.11 148.3012 162.8564 223.9235 132.8831 169.0836 164.3734 16.12_247.2398m/z 247.2398 16.12 623.9297 623.7507 643.0271 647.9284 579.2187 568.8362 16.12_253.1274m/z 253.1274 16.12 6157.0695 5765.4021 6085.5639 5772.8671 5763.0812 5868.2462 16.12_289.6900m/z 289.6900 16.12 91.5937 74.5065 106.1043 122.3775 90.2486 99.1645 16.12_337.2679m/z 337.2679 16.12 39929.1007 38449.7295 38782.4975 36872.4583 37516.6947 38258.9348 16.12_427.8220m/z 427.8220 16.12 45.1492 1581.0706 1747.8658 1351.9738 1780.9482 1581.6125 16.12_466.3166m/z 466.3166 16.12 44234.2919 45910.9071 48138.8814 50535.8685 49047.4261 46889.9000 16.12_668.6077m/z 668.6077 16.12 998.7361 1079.3255 1261.4739 1180.0238 1221.5755 1305.5200 16.14_133.0640m/z 133.0640 16.14 448.5449 451.5079 492.7366 447.5580 480.6502 474.0497 C9H8O Cinnamaldehyde Cinnamaldehyde 16731 MEDIUM 16.14_161.0954m/z 161.0954 16.14 5045.8486 4791.9872 5194.2996 4787.8367 4944.0595 5032.3218 C11H14O2 Methyleugenol Methyleugenol 4918 MEDIUM 16.14_176.1183m/z 176.1183 16.14 711.6043 752.8216 790.6935 708.1782 743.4819 747.3529 16.14_242.0936n 265.1736 16.14 4746.2236 4423.3374 4837.0578 4662.0300 6509.9794 5160.4007 16.14_266.1858n 249.1825 16.14 11860.5374 11310.8835 11994.2715 11254.8478 16918.0729 14159.4009 16.14_290.1462n 313.2066 16.14 52250.7643 50821.5137 52105.9471 49597.2506 51999.4638 48620.0522 16.14_338.3393m/z 338.3393 16.14 501.0272 492.2072 549.8431 491.6602 479.4513 498.2304 16.14_361.2322m/z 361.2322 16.14 12844.8706 12320.5625 13035.2818 12219.6168 13104.0174 12515.5489 16.14_406.3200m/z 406.3200 16.14 15613.3587 15461.6568 15823.5441 15680.9815 19841.0382 17926.2231 16.14_603.3500m/z 603.3500 16.14 13924.6867 14284.9345 16661.6802 17607.8455 16652.2797 15180.9082 16.15_133.1005m/z 133.1005 16.15 134.5776 119.0748 139.9088 132.1120 143.1402 117.1768 16.15_134.1008n 135.0776 16.15 1206.6763 1249.0494 1347.3948 1170.1369 1299.9433 1273.7227 16.15_272.2598m/z 272.2598 16.15 148.5296 151.7309 103.0389 122.6610 140.8536 114.7425 16.15_328.2355n 311.2385 16.15 50669.0214 49764.9003 50159.0977 49168.3815 53215.0105 50307.7150 16.15_345.2036m/z 345.2036 16.15 6475.5891 6473.6560 6345.7782 6625.4750 6511.8110 6074.4351 C21H30O5 18-Hydroxycorticosterone 16485 MEDIUM 16.15_373.1991m/z 373.1991 16.15 5901.0990 5711.9113 5662.4459 5595.6720 5642.5121 5458.4408 16.15_426.2130n 449.2179 16.15 7472.4066 7465.3377 7825.6296 7623.6829 7951.4645 7377.7874 16.15_445.3236m/z 445.3236 16.15 15124.6180 15656.4499 15276.4428 16214.8469 15364.0855 14944.8776 16.15_447.2218m/z 447.2218 16.15 2323.3670 2243.3176 2670.4505 2208.8426 2506.8205 2330.8199 16.15_494.0898n 477.0865 16.15 523.4689 438.8407 582.2176 558.0480 468.7745 452.0632 16.15_533.3642m/z 533.3642 16.15 5148.6457 5391.9750 5494.1181 6049.4793 6145.1964 7844.0296 16.15_535.3888m/z 535.3888 16.15 8489.6364 8617.1111 8384.2429 9372.0994 8846.7844 8533.2141 16.15_578.3805n 579.3877 16.15 33174.2897 33580.3910 32366.3830 34689.6007 32734.3736 32716.6247 16.15_582.5737m/z 582.5737 16.15 2450.3074 3044.1905 2013.9460 2473.7811 3165.1683 2528.9688 16.15_585.4017m/z 585.4017 16.15 6698.5367 7053.9248 6704.2483 7517.9785 7389.0518 6189.1109 16.15_817.6799m/z 817.6799 16.15 812.7225 2939.5622 3313.4962 3090.3988 3357.8903 3439.8376 16.15_904.5862m/z 904.5862 16.15 25188.6541 32195.0298 37263.1747 41289.8933 41658.2462 41660.9474 16.15_911.5778n 929.5762 16.15 32523.4980 37032.5122 38254.2332 44408.0940 43513.5580 42733.7289 16.15_942.5834n 943.5835 16.15 25822.7156 27792.6246 25706.0032 30764.4277 30162.7225 28807.3932 16.16_131.0838m/z 131.0838 16.16 163.2816 157.3018 112.9524 133.0560 90.4076 102.3518 16.16_187.1281m/z 187.1281 16.16 2184.2938 2195.0472 2257.2003 2200.9166 2171.5919 2109.5274 16.16_240.0890m/z 240.0890 16.16 635.7999 618.2070 662.2428 614.1514 646.0516 625.9115 16.16_276.2136m/z 276.2136 16.16 241.7080 232.5554 246.6907 233.6938 214.8185 205.7014 16.16_279.2185m/z 279.2185 16.16 20266.9292 20421.7368 20808.7228 20944.4263 21253.9130 20386.7772 16.16_300.2022n 323.1498 16.16 32484.0832 31954.3503 32959.8419 32578.9656 34618.5201 31424.0382 16.16_311.1658m/z 311.1658 16.16 5548.4920 5624.0273 5854.9128 5721.2516 6140.8811 5506.3592 C17H29NO3S Sethoxydim MEDIUM 16.16_312.1954n 295.1921 16.16 68113.3303 66898.9827 67122.6166 66500.8464 68678.3108 63581.6780 16.16_314.1532n 297.2181 16.16 19977.6443 19080.9045 19448.7430 18605.5093 19065.7461 18387.6524 16.16_316.1875n 317.1441 16.16 12361.0555 12018.4267 12450.1636 12012.9512 12550.2124 11509.5155 16.16_319.1572m/z 319.1572 16.16 23628.0688 22946.4879 23710.3508 22790.9224 23847.7566 22254.5253 16.16_321.1534m/z 321.1534 16.16 19122.8127 18752.2037 24080.5578 23070.1772 29124.6353 20035.9359 16.16_333.2360m/z 333.2360 16.16 6984.4038 7004.5608 7191.4131 7284.2115 8032.4482 7366.4919 16.16_346.2427n 347.2500 16.16 34305.7233 33684.1504 33133.2606 33306.6299 33345.8475 31696.4411 16.16_353.1855n 371.1769 16.16 12967.7643 12789.6597 12828.4870 12427.9204 12687.0372 11937.7404 16.16_378.2070n 362.1845 16.16 8407.6427 8273.5063 8042.8894 7560.5074 7685.4910 6906.0765 16.16_423.2137m/z 423.2137 16.16 4765.3946 4672.2206 4667.3972 4785.8292 4751.9490 4857.8669 16.16_435.2299m/z 435.2299 16.16 17679.0727 17872.1804 18754.5690 18574.0465 18827.9185 18440.6786 16.16_438.2148n 461.2333 16.16 65533.4425 65208.3793 67713.1778 66450.5259 67000.2483 65254.8568 C25H30N2O5 Quinapril 8713 MEDIUM 16.16_449.1188m/z 449.1188 16.16 2369.2903 2252.3595 2697.6421 2298.3228 2727.4557 2148.1965 16.16_451.1193m/z 451.1193 16.16 2068.4853 1986.3237 2093.2251 1857.8570 1854.5481 1689.0590 16.16_453.1136m/z 453.1136 16.16 570.3724 462.6090 558.6100 399.1534 492.7770 361.6854 16.16_455.1341m/z 455.1341 16.16 443.3408 467.1155 429.1138 367.4468 423.6121 367.3433 16.16_456.1054n 439.1021 16.16 1644.4909 1309.8108 1428.3368 1267.6958 1565.6998 1130.4408 16.16_483.3073m/z 483.3073 16.16 18434.4913 18457.6300 18667.1044 18459.7196 18181.7171 17919.4302 16.16_489.3478m/z 489.3478 16.16 21663.0393 22164.7651 21375.4666 23473.6643 21898.2857 21426.0266 C32H41NO2 Terfenadine 119569 MEDIUM 16.16_491.3330m/z 491.3330 16.16 8205.5711 8771.6589 9767.2922 10633.5108 9967.8266 9424.2141 16.16_505.1377m/z 505.1377 16.16 528.7326 462.2912 410.2696 347.4620 419.1869 469.6830 16.16_509.1163m/z 509.1163 16.16 277.3099 170.8502 266.6504 191.6387 232.6243 129.6228 16.16_515.1308m/z 515.1308 16.16 655.9804 642.1422 774.7353 734.4407 772.9511 639.1227 16.16_524.1092n 507.1060 16.16 296.8043 200.7881 253.7182 186.8205 104.5010 229.6139 16.16_550.4225n 551.4297 16.16 50324.1400 52054.5192 45416.8217 54936.8641 52014.8188 46718.4481 16.16_554.3767n 537.3734 16.16 45330.0122 46460.9647 45697.5597 49857.5755 48517.5413 46393.8196 16.16_584.4731n 585.4582 16.16 24412.7064 24846.2604 22218.8398 24720.9229 23151.3436 22183.5938 16.16_592.3960n 575.3927 16.16 22667.4394 23050.5406 22224.9710 24417.8690 24164.4114 27207.1455 16.16_612.4332n 635.4158 16.16 16430.4205 17238.1465 16330.0998 18556.7263 17699.3798 15993.8473 16.16_627.3874m/z 627.3874 16.16 5271.3814 5520.7035 6687.5683 6989.4737 7359.2518 6539.1229 16.16_636.4172n 659.3688 16.16 36038.1645 37554.4671 36878.3062 40222.8189 38919.0945 35981.1584 16.16_643.3747m/z 643.3747 16.16 8650.5292 8750.3454 9266.3218 9270.4200 9226.5799 9328.7575 16.16_650.4490n 651.3951 16.16 17122.3959 18387.6200 18268.8773 20170.3565 19491.9125 18087.0814 16.16_661.3740m/z 661.3740 16.16 11928.9934 12136.5733 11931.4285 12945.9417 12724.1753 11709.9782 16.16_662.4529n 663.4558 16.16 16441.8236 19328.1290 20194.2351 20870.3963 21023.3300 18819.8459 16.16_665.3820m/z 665.3820 16.16 10171.8164 10402.4659 10362.6942 10849.5278 10650.0265 9916.5909 16.16_666.4236n 667.3799 16.16 12727.8463 12945.9000 12919.8220 13842.5655 13495.0144 12303.7724 16.16_669.4319m/z 669.4319 16.16 13029.3662 13685.2247 14275.4209 15206.2951 15095.7208 14327.9180 16.16_671.4564m/z 671.4564 16.16 34238.4031 35419.2759 34355.1798 36779.6123 36139.3460 33599.3777 16.16_717.4144m/z 717.4144 16.16 5661.8255 6630.5332 7093.5797 7205.8037 7079.1153 6816.4225 16.16_747.4667m/z 747.4667 16.16 18728.0149 20265.3980 20804.6779 21371.3069 21570.6580 20797.9641 16.16_845.5868m/z 845.5868 16.16 23469.8251 25296.0522 23544.5638 27101.4561 25736.0465 24542.7497 16.16_868.5711n 869.5748 16.16 94719.4949 104866.2003 98765.4550 114714.9138 109896.7506 103475.8740 16.16_875.5753m/z 875.5753 16.16 28178.8259 33253.1551 31130.7082 36809.2238 37418.3112 34349.0251 16.16_885.6028m/z 885.6028 16.16 27575.6657 30424.0568 31823.0180 39183.7977 38086.4744 36924.7862 16.16_897.6816n 898.6109 16.16 21993.5545 27480.0154 27532.6423 31375.4914 32353.9252 29731.2737 16.16_917.6624m/z 917.6624 16.16 6935.3990 7731.0636 11984.0581 14036.7632 13327.9974 13808.8891 16.16_936.6826n 919.6793 16.16 33535.0865 36247.9553 45513.2169 55163.1969 51630.8465 50218.1258 16.16_955.5862m/z 955.5862 16.16 3120.5142 3339.6289 3572.1178 4054.9488 3917.8513 3892.7923 16.16_957.5960m/z 957.5960 16.16 3097.9499 3724.0939 3980.2724 4503.7046 4280.9306 3961.7307 16.16_971.5802m/z 971.5802 16.16 9997.0920 11485.7161 11525.0720 12949.5158 13035.2721 11725.6479 16.16_977.6278n 961.6052 16.16 16995.9884 18447.3583 20090.4088 21868.8714 21396.7768 19460.9399 16.16_981.5923m/z 981.5923 16.16 2868.1485 3370.4030 3538.2161 3841.0669 3758.9893 3611.4409 16.16_987.6034m/z 987.6034 16.16 10020.6383 11228.6868 11187.8820 12181.5337 11647.0520 11283.4939 16.17_205.1554m/z 205.1554 16.17 1365.5670 1296.7041 1299.6894 1409.8225 1329.4441 1259.7236 16.17_223.1678m/z 223.1678 16.17 3158.5722 3064.2033 2911.9714 3150.8379 2928.3480 2868.4088 C12H24O2 Dodecanoic acid Lauric acid 30805 MEDIUM 16.17_263.1309m/z 263.1309 16.17 758.7866 755.6588 758.9950 624.0235 720.5503 681.6873 16.17_405.1723m/z 405.1723 16.17 841.1372 793.7206 809.8885 736.6844 1047.0997 819.9770 16.17_447.3397m/z 447.3397 16.17 25562.6865 25886.7856 25466.4565 26674.5750 25039.5883 24634.2846 16.17_521.4137m/z 521.4137 16.17 44800.6697 45827.3385 44068.4133 48858.3711 45188.8379 43324.4986 16.17_578.4089n 561.4056 16.17 228368.4713 240635.3880 225579.4850 262550.1577 241624.3787 235079.5403 16.17_583.3727m/z 583.3727 16.17 14025.5441 14138.9272 13764.5720 14861.0477 14015.1149 13477.7566 16.18_274.6708m/z 274.6708 16.18 418.7065 433.4975 475.9703 434.1129 494.9100 379.3852 16.18_284.2923m/z 284.2923 16.18 3626.5845 3638.4405 3821.3623 3715.0686 4106.1692 3941.2399 16.18_289.6908m/z 289.6908 16.18 97.9862 95.5198 69.8994 91.3732 52.6485 68.3116 16.18_469.3378n 470.3272 16.18 79396.2137 79640.1599 80718.0292 83761.2543 81387.0935 86753.7843 16.18_509.2617m/z 509.2617 16.18 11170.7328 12712.7515 13913.8879 15169.9060 14705.0460 12871.2919 16.18_511.2774m/z 511.2774 16.18 15215.9020 15918.8787 15959.4234 16756.6885 16214.8536 15109.0438 16.18_532.3638m/z 532.3638 16.18 13122.3239 13455.8048 13020.6141 14004.0916 13355.9143 13310.4549 16.18_550.6241m/z 550.6241 16.18 15143.2950 14263.5122 15076.3605 14634.8951 14756.6956 14759.8972 16.19_327.7540m/z 327.7540 16.19 284.9644 254.4823 232.7423 238.9368 271.6427 229.1422 16.19_455.3255m/z 455.3255 16.19 91496.9123 94753.1475 84410.9931 89158.4129 94511.5899 91652.3840 16.19_463.3485m/z 463.3485 16.19 19542.7478 20050.1879 19936.9872 21239.3826 20364.0900 19455.2214 16.19_503.3707m/z 503.3707 16.19 28739.1963 29262.6857 27719.0497 30260.8403 28477.0348 27305.3690 16.19_510.3859m/z 510.3859 16.19 16347.1192 19006.9235 17481.0161 20344.7810 18646.6560 15826.3090 16.19_653.4787m/z 653.4787 16.19 11621.1047 11633.5164 11275.6627 11369.2213 11822.5191 10959.3917 16.19_654.4626n 637.4593 16.19 48883.6305 50333.2701 49333.0206 51814.9744 49536.5714 48047.2589 16.19_731.4510m/z 731.4510 16.19 10026.5628 10569.2971 10779.3085 11032.9988 10905.4100 10668.6879 16.20_381.8385m/z 381.8385 16.20 3331.4059 3235.6604 3395.1530 3519.2035 3592.7193 3500.6954 16.20_402.7767n 386.7747 16.20 640.5051 687.6133 734.3496 733.6660 703.8368 671.7878 16.20_415.8053m/z 415.8053 16.20 234.6064 272.0695 221.7745 242.3037 278.1724 242.9298 16.20_442.7928n 465.8074 16.20 734.2887 761.9550 651.1842 892.9253 793.1110 714.7267 16.20_453.8196m/z 453.8196 16.20 355.9946 401.9028 363.6944 427.6064 425.2528 326.1840 16.20_600.9243n 601.9316 16.20 728.6189 1084.7604 1067.5481 1149.6107 1106.9337 902.2503 16.20_606.9586m/z 606.9586 16.20 110.4817 364.5700 329.3794 272.3694 249.1108 279.4975 16.20_681.4400m/z 681.4400 16.20 7705.1133 7804.4673 7709.9684 8100.3769 7966.2461 7365.5874 16.20_867.5744m/z 867.5744 16.20 9027.1213 9742.8339 11117.2903 12421.0332 11700.8298 11676.5567 16.21_109.1007m/z 109.1007 16.21 194.7490 203.6641 200.0156 203.0915 230.2449 203.5350 C8H14O 2-Octenal MEDIUM 16.21_130.9994m/z 130.9994 16.21 320.6574 287.2890 286.3866 275.1147 293.5604 273.7252 CoH6O3 Cobalt(III) hydroxide MEDIUM 16.21_137.1296m/z 137.1296 16.21 281.5752 255.5055 258.3474 233.9370 259.8763 281.2328 16.21_266.2593n 267.2655 16.21 4212.0399 4314.8153 4437.7358 4672.4198 4472.0084 4377.6901 16.21_299.2919m/z 299.2919 16.21 9057.3141 9667.5476 9369.3067 10464.9004 10179.8405 9854.0803 C19H38O2 Pristanic acid Pristanic acid HMDB00795 MEDIUM 16.21_355.7545n 378.7878 16.21 6201.6334 6344.8932 6489.0735 6702.8349 6516.7230 6289.5456 16.21_358.3059n 381.2955 16.21 945347.6611 990920.7332 1020853.7050 1071045.1350 1071297.1060 1036196.2890 16.21_358.4591n 381.4579 16.21 31154.9952 32522.0876 31696.1651 34221.0086 31595.0353 31240.6263 16.21_370.7991m/z 370.7991 16.21 4201.5735 4396.4330 4518.6129 4696.5430 4458.1396 4395.6955 16.21_381.5609m/z 381.5609 16.21 10191.3391 11726.4092 10285.5918 11156.2168 8290.1273 8503.2799 16.21_387.2989n 370.2956 16.21 12768.7141 12999.1708 13282.2228 13819.9657 13333.4781 13105.3508 16.21_387.7746m/z 387.7746 16.21 993.3672 938.6033 1003.3570 1007.6004 970.7021 938.3013 16.21_390.7710m/z 390.7710 16.21 1603.8763 1650.4242 1638.4501 1798.6005 1629.5475 1664.9616 16.21_403.3534m/z 403.3534 16.21 993.4399 1010.8553 885.1572 1016.2666 913.1587 916.7883 16.21_420.2796n 443.2757 16.21 43567.1390 43940.7745 45589.7942 45202.7766 45167.4324 45601.3201 16.21_427.2877m/z 427.2877 16.21 19174.8031 19560.8015 20541.6052 19803.8387 20276.5806 21075.0670 16.21_458.8091m/z 458.8091 16.21 206.2287 195.3296 192.0642 166.0784 199.6031 153.5203 16.21_468.8441m/z 468.8441 16.21 1059.9753 1079.5580 988.6618 1114.1337 957.1996 974.8344 16.21_469.2305m/z 469.2305 16.21 7706.9820 7783.3537 8336.0002 7957.2775 8039.5187 8375.9865 16.21_471.2278m/z 471.2278 16.21 6117.2663 6011.9734 6255.7978 5864.1808 6101.7490 6096.3754 16.21_483.2541n 501.3641 16.21 31314.1452 31007.9181 32034.1889 32109.3280 31817.0044 31172.8595 16.21_539.9064n 557.9402 16.21 8419.6090 9295.0836 8935.1534 10154.9906 9385.5682 9092.4121 16.21_541.3777m/z 541.3777 16.21 48549.5404 50215.1486 48087.6213 53157.9921 49748.2335 47798.5871 16.21_549.9514m/z 549.9514 16.21 2957.4768 3206.0435 3096.6220 3360.7537 3243.4335 3100.0687 16.21_550.4512m/z 550.4512 16.21 1502.8390 1732.6038 1703.4751 1844.7365 1839.6304 1629.1460 16.21_565.9251m/z 565.9251 16.21 1446.3822 1739.1365 1549.3804 1794.4604 1671.1062 1563.2485 16.21_568.2782n 569.4183 16.21 19183.5375 19758.6299 19188.5513 21173.4771 20382.2987 20370.0754 16.21_569.9235m/z 569.9235 16.21 4003.5329 4441.8783 4288.1893 4829.9362 4489.5296 4305.5148 16.21_611.9098n 612.9294 16.21 1233.1051 1332.6562 1327.9306 1465.9209 1326.2285 1381.4902 16.21_728.5169m/z 728.5169 16.21 6117.3145 7037.8076 8094.4470 8051.0849 8158.2586 7840.6664 16.21_739.6000m/z 739.6000 16.21 78870.1063 83115.6142 77188.3337 80548.4898 84955.6380 79293.9875 16.21_801.5050m/z 801.5050 16.21 17917.4267 18929.9467 19867.8368 20294.9832 19463.2498 19484.7520 16.21_97.1010m/z 97.1010 16.21 191.3115 175.6742 162.1190 179.1486 184.8569 175.9020 C7H14O 5-Methyl-2-hexanone MEDIUM 16.22_277.1089m/z 277.1089 16.22 813.5032 772.5022 773.8587 708.9020 769.3070 832.6514 16.22_357.7652m/z 357.7652 16.22 57.8913 68.9140 69.0416 61.6324 80.9207 83.7136 16.22_433.8184m/z 433.8184 16.22 513.9429 521.2061 536.2724 484.9444 505.0112 429.4211 16.22_536.6085m/z 536.6085 16.22 322.5116 280.8156 294.0342 278.3509 227.7887 268.5586 16.23_158.0954m/z 158.0954 16.23 1130.9187 1116.6053 1123.1209 1090.3785 1130.6280 1054.5304 16.23_363.2795m/z 363.2795 16.23 5570.1816 5219.3014 5385.5430 5285.6904 5498.1855 5468.9089 16.23_365.2643m/z 365.2643 16.23 22161.2155 20844.7834 22292.0512 21052.9845 21195.9162 21106.8417 16.23_554.5423m/z 554.5423 16.23 1135.4394 1277.1173 1106.6768 1175.6888 1323.6668 1237.4249 16.25_381.3657m/z 381.3657 16.25 3355.6424 3449.6563 3617.9244 3720.8044 3798.1438 3750.6022 16.25_490.3427n 491.3650 16.25 95812.6853 98212.9594 95213.8113 103868.4865 97479.7805 97910.9319 16.26_205.1544m/z 205.1544 16.26 604.4348 603.6075 546.6379 613.1126 662.2483 568.3942 16.26_525.2925m/z 525.2925 16.26 10083.6355 9918.5470 9947.9169 9747.9498 9991.3572 9787.5110 C30H37NO6 Cytochalasin D MEDIUM 16.26_628.5880m/z 628.5880 16.26 993.2194 3264.0434 3655.4779 2765.0959 2953.7217 3621.8644 16.26_881.5490m/z 881.5490 16.26 16524.2063 19250.4144 22686.6024 23164.3257 23418.3882 24177.6482 16.27_175.0143m/z 175.0143 16.27 1152.2047 1249.0673 1116.6806 1278.2960 1157.9548 1221.0230 16.27_316.2359n 339.2227 16.27 21555.7328 22427.7711 20164.5295 22592.7698 23604.6057 25291.2125 16.27_433.3598m/z 433.3598 16.27 6775.3081 6572.0503 6721.4577 6846.9538 6650.2416 6561.3238 16.28_121.1008m/z 121.1008 16.28 169.6432 141.8610 143.7519 157.1838 145.3549 149.3587 16.28_264.2431n 265.2491 16.28 3475.4076 3179.6010 3484.7009 3436.3439 3465.5738 3228.8891 16.28_305.2343m/z 305.2343 16.28 20818.1118 19782.1551 20960.1265 19819.7375 19896.9278 19927.3179 16.28_337.1777m/z 337.1777 16.28 9499.3555 8891.4787 9625.8759 9185.6688 9534.5822 8736.0672 16.28_341.1798m/z 341.1798 16.28 2612.6919 2391.2767 2442.1402 2235.7387 2315.0694 2216.9756 16.28_345.1758m/z 345.1758 16.28 26167.1885 24474.0208 25925.5734 25632.2825 25477.1956 24586.3958 16.28_347.1724m/z 347.1724 16.28 15090.7663 14180.7468 14935.2287 14528.4287 14498.5406 14260.8070 16.28_349.1723m/z 349.1723 16.28 8195.0183 7669.9189 8152.0916 8168.6950 8072.7167 7846.5482 16.28_421.2611m/z 421.2611 16.28 25386.2325 26465.2183 25499.7034 26114.5872 25452.3463 25397.6176 16.28_461.3557m/z 461.3557 16.28 960.7299 1010.2698 880.0657 1063.4745 1001.4481 818.4193 16.28_464.2293n 487.2537 16.28 40736.4722 39598.6168 40988.1612 39369.1223 39398.5302 39210.5998 16.28_512.3354n 513.3427 16.28 22613.0083 23130.5331 22228.7711 24271.7810 22376.4426 22271.7986 16.28_666.4211n 649.4178 16.28 8416.7621 8391.5390 8804.6063 8472.0325 8402.3989 8457.4190 16.28_719.4318m/z 719.4318 16.28 15337.8158 16370.6706 16717.3763 16811.6364 16598.8596 16421.1559 16.28_970.6296n 953.6264 16.28 35794.7235 38368.7691 40056.8231 38306.1181 38779.0949 39565.2200 16.29_189.1598m/z 189.1598 16.29 178.4050 157.4133 117.3493 171.7101 178.4669 168.6624 16.29_321.2081m/z 321.2081 16.29 42700.1251 40829.3089 42151.6082 41288.9101 40794.3120 39703.8197 C19H30O5 Dodecyl gallate MEDIUM 16.29_344.2269n 327.2236 16.29 16310.2426 15499.5690 16523.6987 14393.4254 14488.5669 15235.2706 16.29_399.2476m/z 399.2476 16.29 35564.0780 38783.6221 37482.3095 41321.9541 38480.8808 39914.3604 C25H37NO4 Salmeterol MEDIUM 16.29_449.2247m/z 449.2247 16.29 4072.8193 3983.8905 4391.8622 4006.1592 4551.1802 4214.1554 16.29_533.3484m/z 533.3484 16.29 10815.0433 10484.2640 10091.1886 10206.6316 10196.2369 10176.0172 16.29_619.4293m/z 619.4293 16.29 7369.2926 7766.4094 8226.4418 8051.3845 9132.8827 16880.4881 16.29_620.4639n 603.4606 16.29 60222.3646 63274.3139 60974.5214 61249.9133 57759.0689 60397.0281 16.29_625.4323m/z 625.4323 16.29 7202.4087 7188.2849 7901.0318 7462.7147 7282.4534 7195.4584 16.29_627.4257m/z 627.4257 16.29 13863.9166 13881.7840 13360.2958 12956.9312 13064.0848 13498.7712 16.29_628.4151n 629.4224 16.29 14262.7497 14714.0064 14812.6622 14623.3732 14681.5271 14905.6344 16.29_631.4217m/z 631.4217 16.29 25523.6303 26595.1073 26519.3416 27797.5221 26516.5238 26634.2065 16.29_635.4641m/z 635.4641 16.29 3626.4237 3922.6550 3678.9568 3922.7438 3876.8693 3850.9005 16.29_683.4637m/z 683.4637 16.29 5736.8407 6310.3363 6811.6522 6543.6003 6632.5017 6460.7136 16.29_686.5224m/z 686.5224 16.29 20833.1075 21886.5708 29854.7044 32070.8225 31098.4946 33021.2175 16.29_696.6425m/z 696.6425 16.29 361.5980 512.2114 452.9024 353.7320 444.9354 484.9578 16.29_712.3773n 735.4058 16.29 13398.1209 13556.4618 19377.4187 19596.5322 19340.8238 17184.4431 16.29_714.4774n 715.4846 16.29 19294.0133 20368.6504 22771.2641 22274.5114 22289.8909 22034.9586 16.29_837.6604m/z 837.6604 16.29 5713.6960 17380.2938 18367.0789 17250.5917 19009.6161 18740.2698 16.29_860.5441m/z 860.5441 16.29 47149.0679 52495.2333 51448.8564 56983.8870 56955.1530 53910.8487 16.29_906.6703n 907.6776 16.29 21376.4456 25098.8650 30393.0467 29117.9525 29578.8832 31218.0958 16.29_923.6412m/z 923.6412 16.29 16473.9300 21209.9370 23376.0393 22299.5344 22601.1377 24148.8491 16.29_931.6398m/z 931.6398 16.29 12831.4650 17041.6192 19226.2589 18213.0975 18859.8945 18767.6550 16.29_933.6520m/z 933.6520 16.29 24250.6464 26951.9602 30744.8355 29447.7480 28307.8946 29729.8457 16.29_959.7029m/z 959.7029 16.29 7915.7007 11195.9907 12900.7071 12530.4258 12888.2346 12772.4990 16.29_964.6347n 947.6314 16.29 54740.4285 60169.3697 64587.3561 61180.9805 62374.6659 64984.1648 16.29_975.6097m/z 975.6097 16.29 27528.0695 35227.9960 37014.3972 36070.3380 35077.9092 34938.7792 16.29_989.6235n 990.6649 16.29 21083.2071 23999.7330 24338.2761 25674.3188 24340.0121 24614.2023 16.30_483.1302m/z 483.1302 16.30 1810.0715 1526.9181 1766.7074 1294.5908 1763.0040 1419.7626 16.30_519.9127m/z 519.9127 16.30 335.7129 305.5675 341.3743 333.4739 341.8881 267.7625 16.30_679.4857m/z 679.4857 16.30 64945.6736 63522.1467 65572.8824 67331.2585 64107.5192 62060.1625 16.30_680.5266n 703.4766 16.30 61389.1997 61606.4550 66007.0185 67134.0424 66287.4696 73334.5410 16.30_695.4709m/z 695.4709 16.30 16959.9830 17895.3712 18383.2478 18618.9539 18204.2812 17476.6121 16.30_699.4640m/z 699.4640 16.30 19540.6713 20250.0703 21146.4838 21026.9962 20431.0483 20647.4604 16.30_705.4692m/z 705.4692 16.30 30192.3437 30608.6427 31261.2066 32054.8371 31114.4045 29965.9461 16.30_707.4653m/z 707.4653 16.30 31788.5051 32269.8314 54125.9837 56747.6063 53654.7844 58107.3805 16.30_961.7475m/z 961.7475 16.30 6016.1938 6146.6120 6777.5616 6454.7359 5663.5499 6100.7080 16.31_403.2750m/z 403.2750 16.31 12759.0607 12687.9762 13085.8773 12422.1404 13159.2445 12758.7861 16.31_434.3062n 457.2133 16.31 16143.2997 15724.1678 16123.1097 15474.1160 15482.4881 15398.5555 16.31_602.9228n 625.9181 16.31 1400.8770 1477.9857 1471.2819 1592.8587 1607.0147 1317.6057 16.31_748.0401n 749.0768 16.31 34127.2520 38380.1033 35726.6985 39656.6130 38279.6520 37079.4718 16.31_758.0622n 742.0776 16.31 11458.1161 12192.6922 12229.1555 12407.2961 12439.0930 12042.2627 16.31_791.0393m/z 791.0393 16.31 455.6226 603.2863 549.8417 381.0216 468.2679 580.1002 16.31_97.1011m/z 97.1011 16.31 581.9105 583.3556 616.9462 578.5707 607.7142 616.3273 C7H14O Heptanal HIGH 16.32_100.0893n 123.1143 16.32 1015.2843 951.8675 1019.5324 991.7653 984.8844 1041.4725 C6H12O 2-Oxohexane 421633 MEDIUM 16.32_109.1008m/z 109.1008 16.32 608.9465 618.2075 623.9183 655.7093 625.7934 624.8508 C8H14O 2-Octenal HIGH 16.32_111.1164m/z 111.1164 16.32 316.4847 285.0907 305.7114 307.5099 294.8652 312.5111 C8H16O 1-Octen-3-Ol 46735 MEDIUM 16.32_112.0276m/z 112.0276 16.32 130.6129 138.2705 141.4008 176.5579 137.6934 141.2014 16.32_245.1565m/z 245.1565 16.32 1833.2947 1897.6286 1964.2404 2115.9328 2001.5293 2055.7527 C9H17N5S Ametryn 22472 MEDIUM 16.32_245.6587m/z 245.6587 16.32 405.2006 419.5177 433.4244 468.3911 417.8747 419.3340 16.32_249.2553m/z 249.2553 16.32 1422.7194 1406.5811 1243.0568 1293.2625 1259.2033 1290.0832 16.32_284.2693n 267.2660 16.32 17220.3245 17783.2724 17802.8944 17634.2953 17788.6206 18092.7586 C18H36O2 Stearic acid Stearic acid 28842 HIGH 16.32_299.2919m/z 299.2919 16.32 44682.8333 46410.5420 45802.4358 47294.5890 47305.4730 47034.9611 C19H38O2 Pristanic acid Pristanic acid HMDB00795 HIGH 16.32_341.3026m/z 341.3026 16.32 373565.4295 388632.1423 388032.9224 399640.9369 401814.0926 392524.5949 16.32_341.3633m/z 341.3633 16.32 1619.3617 1943.1778 1917.0499 1859.3688 1760.0210 1995.7373 16.32_341.5047m/z 341.5047 16.32 630.9426 548.8615 576.2433 610.6595 178.8671 383.6686 16.32_358.4595n 381.4583 16.32 138394.3029 139795.0557 139649.5276 144799.4587 136061.9370 139426.3164 16.32_367.7406n 385.7744 16.32 1495.4655 1676.9398 1535.7022 1644.4930 1622.7795 1541.5181 16.32_370.2958m/z 370.2958 16.32 17336.2779 17718.0227 18894.1649 18768.4263 18761.9946 19055.6019 16.32_370.7991m/z 370.7991 16.32 6777.4113 6958.3270 7330.5625 7373.7332 7320.4939 7191.7733 16.32_381.5250m/z 381.5250 16.32 102682.9002 103733.9317 87783.4895 93669.0446 72014.9165 74490.7382 16.32_387.7738m/z 387.7738 16.32 968.7832 987.0969 978.0843 992.0492 973.1219 939.0432 16.32_399.2594m/z 399.2594 16.32 6546.3694 6425.3034 6016.4913 6052.6134 5924.1781 6122.9228 16.32_539.9061n 557.9400 16.32 115515.2851 125188.8172 122513.4747 128419.9164 129471.7188 123607.9136 16.32_549.9514m/z 549.9514 16.32 40183.6925 43372.1552 42420.6217 44837.2240 44712.8556 42432.6205 16.32_552.9348n 575.8982 16.32 432.3511 534.0815 552.8744 385.6672 440.9118 422.6131 16.32_557.4386m/z 557.4386 16.32 200779.4373 216176.9716 210914.3473 221521.6000 221601.1862 212803.0786 16.32_566.4738n 550.4512 16.32 39058.0327 40940.4917 40105.1594 41269.5121 40837.6930 40117.6767 16.32_569.9237m/z 569.9237 16.32 43689.0865 49783.3318 46512.1568 51670.1972 50676.6885 47914.7896 16.32_581.9293n 565.9265 16.32 19061.8319 20551.8441 20081.4899 21069.1493 20706.2176 19915.7745 16.32_585.4422n 569.4196 16.32 83699.5124 94104.5045 89158.6721 97708.7336 95466.6226 91092.3301 16.32_594.9374n 595.8824 16.32 3912.5106 4274.8337 4231.1240 4239.7592 4340.0063 4000.3915 16.32_600.8808m/z 600.8808 16.32 286.3270 309.8192 363.2181 328.7652 338.5911 366.7060 16.32_618.9459m/z 618.9459 16.32 541.0536 1725.3862 1734.3954 1531.2840 1714.8088 1338.5110 16.32_637.9599m/z 637.9599 16.32 492.7344 693.6225 627.8493 824.1154 608.2242 607.9369 16.32_736.5905m/z 736.5905 16.32 43982.4489 47282.3350 46429.7429 48223.1109 47395.7151 46823.9340 16.32_737.0938m/z 737.0938 16.32 30654.0873 33226.6039 31884.7611 34059.8947 33112.5274 32652.0267 16.32_744.6125n 728.5899 16.32 53936.9401 60083.8035 60439.1269 61088.8042 61047.8195 62199.2836 16.32_745.0791m/z 745.0791 16.32 2474.8016 2696.4946 2628.1073 2936.7810 2875.9780 2813.3279 16.32_745.1269n 729.1043 16.32 15608.4875 16833.2676 16306.7785 16926.7452 16371.9158 15818.5095 16.32_747.5646n 748.5719 16.32 90183.4062 100145.4732 97910.9237 101924.8247 102280.7472 100544.5994 16.32_756.6027n 739.5994 16.32 334775.0144 343719.0702 345020.9217 356758.3142 344120.5229 352303.0618 16.32_780.4920n 803.5357 16.32 5164509.8940 5403234.8430 5528481.4980 5675133.6670 5718411.9180 5712020.7060 16.32_783.5097m/z 783.5097 16.32 54641.4490 61115.5071 64052.6877 63418.2919 64317.8306 62869.6263 16.32_81.0703m/z 81.0703 16.32 355.2740 358.8903 367.9008 367.6632 353.9054 377.4243 C6H10O 2-Hexenal MEDIUM 16.32_815.5102m/z 815.5102 16.32 13130.9220 12194.7642 12002.7216 12693.8279 12318.7972 11792.7667 16.32_826.5062m/z 826.5062 16.32 12266.3402 13192.4045 13237.3093 13483.8999 13248.2680 13381.9976 16.32_887.5411m/z 887.5411 16.32 10047.1704 10660.9383 12096.3514 12182.3590 12169.0311 12865.3122 16.33_323.2262m/z 323.2262 16.33 27206.4527 26051.4563 27587.8206 26572.8975 26524.6412 26137.1695 16.33_355.7553n 378.7879 16.33 26254.1793 26542.4323 28423.8074 28289.8994 27943.3333 27470.3005 16.33_388.2646m/z 388.2646 16.33 3298.6756 3091.8607 3267.5041 3178.3909 3100.9566 3037.3319 16.33_495.8548m/z 495.8548 16.33 1432.1430 1529.7141 1325.5428 1507.9610 1398.2785 1436.5579 16.33_568.1805m/z 568.1805 16.33 584.4825 204.5308 447.0391 283.3504 555.2898 254.8636 16.33_579.9153m/z 579.9153 16.33 1874.7341 1798.9569 1797.9594 1784.0823 1743.2279 1668.9106 16.33_602.9581m/z 602.9581 16.33 2259.5215 2287.6626 2025.4426 2182.5316 1993.4255 1919.7341 16.33_606.9434m/z 606.9434 16.33 309.1935 657.6965 770.1292 665.4722 749.4240 734.4103 16.33_616.9158m/z 616.9158 16.33 217.2286 253.2618 250.3626 285.2078 299.3962 199.2522 16.33_675.0173m/z 675.0173 16.33 587.5885 663.1725 643.0120 786.3101 680.9530 532.4985 16.33_761.0559m/z 761.0559 16.33 545.1827 584.5065 623.3120 562.8540 670.6850 599.3789 16.33_768.0453m/z 768.0453 16.33 2970.5035 3013.2226 3159.3639 2774.8836 2925.5120 3039.1858 16.33_775.0279m/z 775.0279 16.33 2016.4075 1931.2218 1997.8891 1947.0557 1860.3468 1878.3402 16.33_779.0701n 763.0475 16.33 1308.6675 1214.0461 1453.5195 1159.4922 1138.8770 1130.8251 16.33_787.0402m/z 787.0402 16.33 601.4451 520.3784 651.9334 605.5469 596.3279 650.7131 16.33_794.0589m/z 794.0589 16.33 616.5712 618.3817 579.0653 529.3765 558.4158 536.3498 16.33_801.5636m/z 801.5636 16.33 30338.6576 30929.3944 33322.5223 29436.1921 30623.6316 32122.4958 16.33_811.5283m/z 811.5283 16.33 23482.6537 27346.4845 28385.9339 29359.0245 28915.0599 28830.3602 16.33_831.5350m/z 831.5350 16.33 43495.6342 50484.5202 50128.5019 54913.5263 52961.7238 51416.6886 16.34_137.1302m/z 137.1302 16.34 760.1837 768.7656 759.4524 849.4569 750.7554 728.3569 16.34_431.3392m/z 431.3392 16.34 16916.6934 15604.7667 16065.2044 16121.2357 16752.5166 16844.2570 16.34_471.2279m/z 471.2279 16.34 11694.2149 11476.7875 12100.4393 11037.9609 11629.3938 11646.5828 16.34_573.1469m/z 573.1469 16.34 4796.6433 3172.8847 4392.9395 3251.3833 3872.4383 3580.7243 16.34_588.8939m/z 588.8939 16.34 2105.7473 2308.6937 2328.1890 2207.2091 2268.1404 2116.0494 16.34_615.4527m/z 615.4527 16.34 27434.9027 28857.8553 27900.3199 32303.7843 29073.2076 28566.7483 16.34_641.9224m/z 641.9224 16.34 285.4056 251.5090 400.9208 421.1034 330.6397 373.4613 16.34_95.0854m/z 95.0854 16.34 701.6852 699.7401 739.5274 768.3944 774.7843 779.6673 C7H12O 2-Heptenal HIGH 16.35_361.2332m/z 361.2332 16.35 4888.3391 4679.4564 4872.8100 4613.0959 4594.9197 4736.0661 16.35_381.5600m/z 381.5600 16.35 19868.6999 21969.5210 16141.6909 17276.7450 11587.9183 13548.7734 16.35_403.3528m/z 403.3528 16.35 460.8711 428.5539 458.3856 484.8211 474.6256 403.8961 16.35_443.2643m/z 443.2643 16.35 59390.7600 58108.1003 61643.3659 56515.2978 58718.8465 59715.3865 16.35_463.3649m/z 463.3649 16.35 976.1539 1020.8497 1035.7022 1216.4730 1027.8894 1492.4618 16.35_485.2526n 469.2300 16.35 16476.7189 16053.1918 16079.8597 15384.0411 15724.0790 16144.3669 16.35_551.2738m/z 551.2738 16.35 13114.7267 13758.8340 14555.2554 14490.3394 14699.9604 13590.3480 16.35_575.4523m/z 575.4523 16.35 18261.9483 18643.2305 18264.0556 20182.1193 19844.9012 27844.7527 16.35_577.1468m/z 577.1468 16.35 1588.4866 1164.3798 1525.9305 1217.1468 1222.4341 1277.9587 16.35_577.4610m/z 577.4610 16.35 19808.8712 20517.0238 19688.2420 21793.2922 22311.6468 23693.9102 16.35_836.5450m/z 836.5450 16.35 7755.1930 11351.4781 11155.4459 11112.7867 11346.8682 11312.4757 16.36_355.2465m/z 355.2465 16.36 4487.0301 4179.1303 4542.1136 4551.1539 4418.7105 4305.9679 16.36_563.2796m/z 563.2796 16.36 2046.5982 1911.3195 2181.8314 1916.4798 1931.7739 2043.5732 16.36_577.2697m/z 577.2697 16.36 3219.5045 3192.5425 3566.2648 2964.4538 3051.2637 3818.0874 16.37_381.8408m/z 381.8408 16.37 5856.0562 6011.2178 5986.8159 5974.6461 6124.2234 6303.5942 16.37_398.2991n 381.2958 16.37 2537136.3370 2610328.2260 2677116.1870 2706109.3330 2728315.2620 2799409.4280 16.37_474.8226m/z 474.8226 16.37 390.2549 278.0903 334.0707 348.1071 351.3551 312.8621 16.37_552.2220n 553.1870 16.37 3785.1631 3533.1269 3875.7436 3460.4313 3579.6043 3640.5816 16.37_552.3896m/z 552.3896 16.37 7936.1973 9116.6888 8393.6059 9446.4962 8591.1332 7816.2530 16.37_579.1448m/z 579.1448 16.37 1649.1509 1457.6188 1619.3624 1390.4643 1436.4768 1697.3495 16.37_840.5447m/z 840.5447 16.37 19199.3845 22944.4215 24094.5893 25376.9194 24865.5674 24706.8173 16.38_131.0005m/z 131.0005 16.38 726.8507 713.7119 746.0709 705.1184 748.1866 720.7986 16.38_411.2483m/z 411.2483 16.38 5674.6715 5632.1970 5597.4125 5624.6227 5510.9795 5614.2757 16.38_423.2289m/z 423.2289 16.38 2086.3704 1961.4838 2234.4239 2061.9494 2235.7060 2074.7741 16.38_426.7455n 409.7422 16.38 288.2521 259.2789 288.6238 238.9291 221.4304 288.5536 16.38_444.2886n 467.2326 16.38 54679.4384 54277.5771 57582.7775 52730.5531 54951.1021 55955.8428 16.38_628.5819m/z 628.5819 16.38 380.5167 2433.3014 3121.2692 1921.9597 3328.2883 3887.7292 16.39_295.6751m/z 295.6751 16.39 142.9658 103.2254 116.7965 124.6853 107.9733 76.3572 16.40_476.3296m/z 476.3296 16.40 8042.1292 8501.4533 9366.5453 9457.2513 9166.7572 8913.6025 16.40_488.3430n 471.3397 16.40 48975.0280 48445.5453 49343.2161 51432.0186 47968.0347 48117.6567 16.40_545.8617m/z 545.8617 16.40 305.3162 270.2699 317.9582 261.0677 273.2431 284.0373 16.40_587.3924m/z 587.3924 16.40 7659.9264 8746.6895 9125.6206 8976.5926 8962.3316 8695.5383 16.41_624.5696n 647.5581 16.41 25516.7444 32533.6242 34528.5982 31651.3554 32351.5453 33438.2576 16.42_309.2076m/z 309.2076 16.42 5923.8187 5506.9432 6038.4935 5594.0759 6919.5095 6347.3959 16.42_700.5996n 723.5949 16.42 36041.8256 37330.2322 39154.0493 36720.6795 38477.4813 40021.3869 16.43_213.1129m/z 213.1129 16.43 864.1294 759.4139 782.2586 830.6053 751.8650 709.0283 16.43_233.0768m/z 233.0768 16.43 2178.3582 2132.7191 2283.1367 2008.9184 2126.6331 2230.2785 16.43_259.0873m/z 259.0873 16.43 1725.7382 1536.9382 1692.9758 1570.9977 1574.8300 1603.8703 16.43_277.0755m/z 277.0755 16.43 2492.8173 2197.1291 2391.0576 1976.2996 2494.8644 2131.0934 16.43_332.1617n 315.1584 16.43 3922.1257 3754.7111 4080.1469 3844.6523 3908.4564 3889.7242 C19H24O5 Crotocin MEDIUM 16.43_477.8225m/z 477.8225 16.43 1031.5095 955.6677 1168.3084 1018.5926 1094.7064 1094.3372 16.43_497.3503m/z 497.3503 16.43 19246.5049 19816.1466 21427.2628 21603.1724 20612.4813 20090.3877 16.43_534.3787n 517.3754 16.43 41563.5164 41266.6880 40472.3198 42991.5727 41603.1712 49601.7246 16.43_684.1748n 707.1643 16.43 7065.8845 5593.1783 6309.0198 5175.9081 5593.4093 5775.7887 16.43_917.6968m/z 917.6968 16.43 2636.5870 3287.6903 8550.5396 9735.0594 9000.3820 10303.8592 16.43_943.7029m/z 943.7029 16.43 8225.6720 9952.8803 16632.9105 20306.1726 20792.7310 22249.7682 16.44_150.1119m/z 150.1119 16.44 707.8111 697.9008 776.1751 690.3246 728.3503 691.5659 16.44_158.0951m/z 158.0951 16.44 216.1938 205.9487 207.0748 174.4397 168.1874 241.4456 C9H13N Dextroamphetamine 4469 MEDIUM 16.44_227.1239m/z 227.1239 16.44 833.7331 798.4872 894.9025 782.1141 630.9514 818.6174 16.44_282.1564n 265.1531 16.44 4136.2596 3902.5676 3960.4643 3889.3661 3781.5515 3791.3077 16.44_329.1631m/z 329.1631 16.44 3008.8214 2824.4498 3078.1084 2815.4059 2788.0182 2933.0705 C17H17N3O3 Imazaquin MEDIUM 16.44_557.3380m/z 557.3380 16.44 3811.2178 3879.1166 3252.8854 3458.5027 3503.7472 3320.2221 16.44_613.5051m/z 613.5051 16.44 108581.7818 107169.3666 119234.7471 115311.7780 109190.7582 115920.1953 16.44_622.5224n 645.5354 16.44 10411.0337 86827.6791 102113.6985 79233.4595 91885.9971 84419.2415 16.44_680.6329n 703.6225 16.44 8613.3661 8583.7336 8818.8708 9032.6684 8701.5182 8732.5372 16.44_907.6558m/z 907.6558 16.44 7546.3841 10218.6470 14283.1088 15084.0981 16277.9720 17038.8604 16.45_271.0695m/z 271.0695 16.45 887.9463 865.1921 863.2785 814.3477 811.9932 898.7325 16.45_347.2209m/z 347.2209 16.45 7552.5100 7690.2138 7379.8607 7866.7368 7591.9463 7351.5218 C22H26N4 (+)-Calycanthine 3333 MEDIUM 16.45_371.1851m/z 371.1851 16.45 3134.0173 3047.5016 2985.0707 2909.5059 3028.7073 3784.2001 16.45_373.2027m/z 373.2027 16.45 3307.6485 3219.9908 3310.9949 3197.8593 3326.3799 3322.9551 16.45_426.7506m/z 426.7506 16.45 153.0128 214.0356 212.9500 227.7155 242.4746 184.3953 16.45_513.2836m/z 513.2836 16.45 6102.6157 5947.7938 5837.0557 5896.4400 5808.2324 5736.9425 16.45_591.4483m/z 591.4483 16.45 20489.4172 21434.7900 20529.1758 22457.8956 20984.3969 20399.4765 16.45_625.3849m/z 625.3849 16.45 2088.4567 2165.2703 1924.5054 2071.8507 2086.7312 2092.1508 16.45_967.6726m/z 967.6726 16.45 5219.4529 6103.4193 6937.1442 7363.4877 7497.6425 7933.1517 16.47_174.1249m/z 174.1249 16.47 826.4739 808.7257 850.2132 769.7368 861.7742 692.2332 16.47_222.9966m/z 222.9966 16.47 89374.2248 86194.0366 95997.1718 85893.5182 93295.7882 90825.7476 C4H3F7O Sevoflurane 9130 MEDIUM 16.47_407.3083m/z 407.3083 16.47 10514.2427 10820.6969 9748.3403 10180.9170 9933.2713 10211.7364 16.47_771.5678m/z 771.5678 16.47 13353.6165 15433.4613 13467.6380 16630.4181 14082.1178 14189.8389 16.48_224.9031m/z 224.9031 16.48 562.9205 426.5984 500.0678 335.1461 351.8901 494.4344 16.48_347.2878m/z 347.2878 16.48 5352.7501 5563.5528 4781.9945 5007.6995 4454.0678 5068.8384 16.48_377.2899m/z 377.2899 16.48 52719.4186 52448.1669 48674.9570 48108.4223 48064.8751 48401.4242 16.48_672.6059m/z 672.6059 16.48 665.8645 2425.6814 2733.8872 2157.0591 2453.2913 2348.3264 16.49_619.4625m/z 619.4625 16.49 16588.0045 18470.2355 31037.9545 30335.0481 29067.6713 30811.2461 16.49_633.4287m/z 633.4287 16.49 8963.4061 9661.6280 9246.3103 9930.7777 9359.5682 9367.4726 16.50_332.8797m/z 332.8797 16.50 13.1739 9.7241 14.2421 14.9401 29.2264 9.3052 16.50_365.2457m/z 365.2457 16.50 3504.6689 3312.0699 3236.4576 3345.4123 3737.3227 4206.9583 C25H32O2 Quinestrol Quinestrol 8716 MEDIUM 16.50_511.8475m/z 511.8475 16.50 132.4347 170.5152 143.4879 141.4318 151.1238 120.7506 16.50_574.8808m/z 574.8808 16.50 196.0967 140.9894 157.6862 92.2041 112.4041 159.5255 16.51_186.9541m/z 186.9541 16.51 322.7743 350.6343 402.0725 415.8957 366.6418 379.7523 16.51_310.6155m/z 310.6155 16.51 478.2542 510.7601 517.4413 501.2656 457.3654 508.9223 16.51_338.3382m/z 338.3382 16.51 1184.1340 1119.1745 1061.8801 1081.0611 1030.2853 1087.4074 16.51_358.6382m/z 358.6382 16.51 142.9327 149.2388 165.8295 154.9771 171.0543 149.2393 16.51_361.3154m/z 361.3154 16.51 230.9924 184.7999 188.5579 145.3981 153.4786 198.5379 16.51_377.6881m/z 377.6881 16.51 179.1023 162.1653 178.8886 183.1689 189.3067 178.4559 16.51_434.2523m/z 434.2523 16.51 2305.7650 2137.5416 2175.9692 1952.9510 2091.3632 1948.6216 16.51_470.7510m/z 470.7510 16.51 1627.3742 1641.5560 1796.6016 1691.8101 1756.5300 1679.3573 16.51_486.7678m/z 486.7678 16.51 1177.1102 1183.4095 1206.0237 1122.1303 988.1769 1160.7352 16.51_549.8339m/z 549.8339 16.51 1558.9522 1656.9962 1662.1255 1640.4661 1510.9014 1751.9388 16.51_605.3910m/z 605.3910 16.51 289066.6330 289364.4285 294504.1112 291356.9306 292093.3947 297751.3115 16.51_605.8925m/z 605.8925 16.51 189320.0162 190910.9689 195667.8137 190914.4166 190903.6147 195384.3960 16.51_606.0955m/z 606.0955 16.51 1675.0905 1435.8636 1539.2387 1347.8963 1263.1007 1358.2170 16.51_613.4272n 597.4046 16.51 355647.4434 361766.3353 363034.3638 369323.0103 361216.4978 359524.1761 16.51_613.9262n 597.9036 16.51 136128.5315 136363.4132 138591.0968 136676.0958 136325.4956 138557.3597 16.51_644.9086n 628.8860 16.51 2359.8664 2272.8891 2460.6808 2382.2783 2279.1140 2237.1151 16.51_675.8863m/z 675.8863 16.51 2570.6070 2709.0518 2754.0885 2704.8002 2911.6999 2817.5632 16.51_681.8987m/z 681.8987 16.51 544.0271 612.3448 655.6980 586.6107 630.8692 598.4664 16.51_703.2649m/z 703.2649 16.51 1854.0636 1864.8415 2025.4195 1925.3118 2033.3703 1982.1647 16.51_715.2633m/z 715.2633 16.51 5326.3526 5296.3798 5263.8187 5184.2651 5246.9763 5281.1612 16.51_889.4977m/z 889.4977 16.51 29808.0133 30370.9231 33329.1725 32296.7461 32492.7085 32303.6237 16.52_109.0286n 110.0352 16.52 689.8806 686.1176 708.6379 689.1480 713.8611 721.6497 16.52_110.0355n 133.0276 16.52 9252.1088 9504.3819 9458.5270 9637.0219 9689.0196 9766.3166 16.52_149.1222m/z 149.1222 16.52 1024.7585 971.2284 906.2399 862.5822 784.2606 864.0221 16.52_152.0466n 135.0433 16.52 16740.3030 16981.0248 17429.4548 17255.6443 17161.3135 17298.7798 C8H8O3 Vanillin Vanillin 18346 HIGH 16.52_156.9616m/z 156.9616 16.52 212.3493 206.0736 216.0493 221.9039 202.1349 210.7220 16.52_163.1422m/z 163.1422 16.52 6247.0503 6316.2384 6234.1613 6413.0356 6048.5938 6176.8570 16.52_163.3873m/z 163.3873 16.52 809.5062 744.3402 725.9567 735.1678 707.9505 720.3937 16.52_166.0472m/z 166.0472 16.52 184.1720 176.8790 173.8115 161.3263 174.5367 177.3337 C6H9NO3 Trimethadione 131804 MEDIUM 16.52_310.1146m/z 310.1146 16.52 1765.6575 1823.6345 1825.8471 1641.1241 1723.1523 1725.2995 16.52_321.6249m/z 321.6249 16.52 121.1935 113.4035 130.3527 130.9678 126.2548 119.6285 16.52_366.1761m/z 366.1761 16.52 4545.5149 4588.0627 4510.7637 4505.5635 4486.4777 4662.5892 16.52_366.6781m/z 366.6781 16.52 1665.5957 1702.0290 1763.2592 1731.8921 1694.5353 1753.7703 16.52_413.4936m/z 413.4936 16.52 79635.0194 80529.7980 84215.2365 85991.0716 55384.3005 65593.6103 16.52_413.8304m/z 413.8304 16.52 3263.1617 3356.1097 4377.7792 4432.8548 4381.7103 4426.7227 16.52_422.2384m/z 422.2384 16.52 12431.8874 12484.0128 12404.3595 12093.6403 12654.9223 12640.4287 16.52_422.7401m/z 422.7401 16.52 6396.8965 6531.8511 6564.1388 6546.8638 6475.6207 6549.0279 16.52_431.7723n 414.7690 16.52 643.6266 482.9408 418.9389 323.9656 346.2902 269.2923 16.52_433.7499m/z 433.7499 16.52 3917.2880 3581.4141 3570.4120 3378.9349 3445.0589 3435.2539 16.52_480.7685m/z 480.7685 16.52 1973.7648 1949.1785 2113.6799 1926.5062 1997.1846 2005.3009 16.52_536.7501n 537.7587 16.52 534.7245 591.9917 541.0683 542.0623 552.6285 554.5014 16.52_617.3744m/z 617.3744 16.52 216660.8700 216005.0682 220248.6016 215936.9152 218694.8846 222048.5633 16.52_617.8760m/z 617.8760 16.52 140062.4667 138813.7373 142581.5905 139110.7330 141306.8522 143979.6480 16.52_626.8875m/z 626.8875 16.52 845.8749 959.4916 938.9477 1145.5965 1037.4392 1041.1143 16.52_629.8820n 613.8794 16.52 22776.7074 22937.0743 23719.4143 23167.5921 23485.7086 23934.6272 16.52_77.0390m/z 77.0390 16.52 1531.3157 1595.2275 1649.3375 1602.6005 1600.1243 1603.4287 C6H6O Phenol Phenol 15882 MEDIUM 16.52_79.0545m/z 79.0545 16.52 371.2604 389.7723 363.3839 396.1740 404.3788 396.0644 C6H6 Benzene Benzene 16716 MEDIUM 16.52_803.9152m/z 803.9152 16.52 64529.9582 72261.0903 71634.6650 72192.8655 43286.2835 57952.0135 16.52_879.4781m/z 879.4781 16.52 11219.7806 12160.3906 13212.1232 13683.3345 13254.0888 13360.9300 16.52_881.4537m/z 881.4537 16.52 23882.9086 24123.1741 24108.6354 23399.7010 23912.3556 23398.7720 16.53_113.1317m/z 113.1317 16.53 1987.6933 2040.4819 2039.9325 2027.2180 2044.4067 2011.6361 C8H16 "2,4,4,-Trimethyl-1-pentene" MEDIUM 16.53_121.0279m/z 121.0279 16.53 12813.7694 13004.4597 13154.1552 13191.7987 13310.9759 13246.7304 C7H6O3 4-Hydroxybenzoic acid 4-Hydroxybenzoic acid HMDB00500 99-96-7 HIGH 16.53_148.0148n 149.0221 16.53 119194.0792 121260.9315 124626.4017 123524.9736 125136.3623 125967.2682 16.53_163.0376m/z 163.0376 16.53 284383.0688 293772.6355 298744.9153 305091.7998 304859.5569 307833.0486 C9H8O4 Monomethyl phthalate 491486 HIGH 16.53_166.0256n 167.0328 16.53 27660.1624 28457.4821 29118.0575 28662.5610 29048.1924 29199.3878 16.53_261.1388m/z 261.1388 16.53 7603.6110 7429.8231 7873.5612 7446.9236 7480.5088 7533.4479 16.53_279.1559m/z 279.1559 16.53 51897.8655 51503.5494 52903.2816 51434.5995 51636.2195 51391.8174 16.53_407.3039n 391.2813 16.53 152624.0618 150604.2483 154721.8552 149850.4295 152256.2257 150279.7960 16.53_413.2635m/z 413.2635 16.53 4708662.7640 4811358.8990 4955702.1170 4996970.6720 5077275.7670 5072427.8610 C24H38O4 Di(2-ethylhexyl)phthalate Bis(2-ethylhexyl)phthalate 17747 MEDIUM 16.53_413.4341m/z 413.4341 16.53 176601.8299 176909.9279 180905.6433 182671.9757 170766.2589 176281.0037 16.53_413.5393m/z 413.5393 16.53 61838.7112 68828.5932 69184.6454 69056.3193 40468.0620 56911.1259 16.53_541.8397m/z 541.8397 16.53 379.7051 411.7525 366.3445 368.4377 444.4523 424.6938 16.53_688.8868m/z 688.8868 16.53 900.8124 872.5818 871.9113 876.8359 864.4305 865.7580 16.53_71.0865m/z 71.0865 16.53 6008.3438 6068.8294 6316.6547 6207.8920 6280.6215 6273.3198 16.53_729.2613m/z 729.2613 16.53 1102.1419 997.0965 972.2720 935.6890 1020.4654 1018.4771 16.53_803.7835m/z 803.7835 16.53 154326.0135 155729.2739 156241.9020 160028.0864 145081.3178 152132.8845 16.53_804.1588m/z 804.1588 16.53 9566.4262 9239.2562 8751.2067 9376.5813 9654.5285 7463.3878 16.53_82.0428n 105.0329 16.53 739.2161 743.1814 740.6972 746.6099 703.9533 748.7287 16.55_218.9797m/z 218.9797 16.55 451.9619 431.7647 471.0352 422.6096 433.6939 461.8939 16.55_231.0029m/z 231.0029 16.55 5797.8365 5629.0858 5948.7546 5570.1889 5693.8771 5608.3690 16.55_473.2574m/z 473.2574 16.55 1770.2595 1685.3798 1628.3395 1516.6613 1677.4963 1700.0288 16.55_493.7704m/z 493.7704 16.55 4244.2765 4322.1015 4470.1623 4239.6709 4311.0271 4241.3520 16.55_522.2241m/z 522.2241 16.55 8278.7177 7628.7446 7788.1120 7149.2922 7313.4384 7227.4063 16.55_548.2367n 549.3566 16.55 16218.5485 16725.8925 16345.6449 16320.8706 16579.2036 16454.0998 16.55_57.0713m/z 57.0713 16.55 769.6217 732.4684 752.5577 716.8090 728.9133 736.2893 16.55_589.2663m/z 589.2663 16.55 4071.4401 3934.5240 4093.6926 3686.2595 3900.5177 3835.2327 16.55_621.2152m/z 621.2152 16.55 6540.8460 5946.3704 5934.6578 5631.1328 6060.2277 5735.8509 16.55_653.1213m/z 653.1213 16.55 786.8896 641.5367 606.8151 580.6630 594.9203 600.9592 16.55_660.8755m/z 660.8755 16.55 439.4832 508.8811 531.8378 513.6007 410.0622 552.3557 16.55_668.8928m/z 668.8928 16.55 1586.4334 1692.0763 1669.9697 1630.5349 1660.2070 1617.8962 16.55_681.9036n 682.8535 16.55 3841.2127 3712.0952 3999.2704 3822.6308 3749.0074 3627.3635 16.55_699.9729m/z 699.9729 16.55 388.8368 483.3176 520.5873 648.7596 531.2945 558.9205 16.55_707.3891m/z 707.3891 16.55 35326.0106 35547.3826 37576.9030 36826.0625 37630.2915 45147.3731 16.55_735.3488m/z 735.3488 16.55 4388.1317 4588.2824 4698.8133 4447.7616 4556.1571 4491.2730 16.55_801.0298m/z 801.0298 16.55 2738.5738 2823.3979 3088.9705 2611.6786 2715.1150 2747.0902 16.55_803.8565m/z 803.8565 16.55 20015.3759 19801.5157 16493.4264 18869.1631 10591.2159 15087.4510 16.55_865.5210m/z 865.5210 16.55 41622.0917 43038.2347 46343.9662 46902.9777 46716.9361 45507.8527 16.56_178.0196m/z 178.0196 16.56 973.1473 937.9865 1028.2094 921.1904 1033.2566 973.3740 16.56_242.0678m/z 242.0678 16.56 202.3335 180.9585 228.0921 209.1323 197.8088 215.3441 16.56_258.1781n 259.1890 16.56 492.2294 463.5108 565.2923 498.7868 504.2805 557.2798 16.56_286.2237n 287.2340 16.56 596.6612 834.1448 548.6143 820.5229 975.9737 1196.4021 16.56_346.7054m/z 346.7054 16.56 748.7539 679.3411 675.5631 668.5932 695.7929 703.0358 16.56_354.6943m/z 354.6943 16.56 1227.0813 1153.1177 1200.0641 1180.8173 1188.9401 1175.0446 16.56_369.1295m/z 369.1295 16.56 1018.8979 939.3477 853.7486 789.6607 785.1906 842.1570 16.56_372.3139m/z 372.3139 16.56 268.3066 283.9890 369.8906 321.7673 324.2466 293.0192 16.56_387.0754m/z 387.0754 16.56 3056.8414 2896.5512 3087.3275 2800.7818 3004.5814 2948.7126 16.56_410.7560m/z 410.7560 16.56 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391.0717 16.57 500.7007 485.1748 570.3580 550.3739 491.9543 511.0094 16.57_402.7672m/z 402.7672 16.57 1466.8428 1485.9045 1419.3914 1384.8735 1491.9507 1482.5434 16.57_409.3174n 393.2948 16.57 232786.8252 216129.9929 230602.8758 207128.7707 219210.5833 219100.9746 16.57_467.1507m/z 467.1507 16.57 1595.7727 1457.9306 1675.2866 1509.5712 1602.0791 1568.6210 16.57_500.1900n 501.1973 16.57 41068.5526 39579.6653 41990.0351 39149.4827 39871.2006 39486.5486 16.57_503.1964m/z 503.1964 16.57 16814.8948 16320.3385 17182.8619 15725.3043 16295.0666 16432.8524 C26H32O11 Rubratoxin A MEDIUM 16.57_512.8579m/z 512.8579 16.57 1491.8755 1674.4449 1383.1675 1648.3956 1461.7954 1448.1836 16.57_569.2334m/z 569.2334 16.57 5467.2436 5358.3007 5407.8747 5380.3404 5929.8340 5368.3041 16.57_576.4569n 577.4678 16.57 69295.8696 73068.2975 70557.9966 75639.9520 72876.9171 71271.3971 16.57_577.9105n 595.9058 16.57 1546.6944 1578.8954 1596.3327 1462.4826 1469.1721 1590.8515 16.57_631.1534m/z 631.1534 16.57 4127.7571 3808.9253 4167.2407 3513.7616 3690.0581 3535.7562 16.57_633.1517m/z 633.1517 16.57 2558.6258 2325.1455 2350.1121 2080.2344 1927.5238 2111.9590 16.57_681.3897m/z 681.3897 16.57 29231.1473 29602.3056 30758.8383 30976.0675 30565.4297 30013.5607 16.57_783.5656m/z 783.5656 16.57 138448.2118 141547.8661 150360.1185 144779.3834 150853.1208 147784.3944 16.58_234.5808m/z 234.5808 16.58 111.3096 94.8834 123.8648 107.1702 130.8654 122.6499 16.58_290.6433m/z 290.6433 16.58 482.2645 445.8086 468.7257 426.5896 425.5961 429.5098 16.58_317.1037m/z 317.1037 16.58 6965.8034 6494.8350 7188.4582 6454.5110 6537.6006 6665.4792 16.58_346.8931m/z 346.8931 16.58 84.3175 64.2631 65.9086 62.1261 37.5985 40.3407 16.58_474.1301n 475.2337 16.58 55773.9270 53952.9661 57368.9691 52497.3466 53881.3005 51316.3426 16.58_476.2557n 459.2524 16.58 85694.6180 84278.7667 87951.1850 83093.8631 83590.2252 83425.9788 16.58_495.2038m/z 495.2038 16.58 10546.5696 9842.3531 10986.7217 10238.5753 10762.3308 10071.3085 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204505.0153 191153.1977 182057.9951 16.65_798.5455m/z 798.5455 16.65 44379.3378 50191.3695 49954.7572 54754.7735 52863.8399 52004.5672 16.66_521.3943m/z 521.3943 16.66 8678.5229 8626.7556 8146.0294 8450.1476 7981.5399 7954.4926 16.66_538.3739m/z 538.3739 16.66 15535.9775 15714.0008 15316.2220 15501.1603 15400.8288 14847.1735 16.66_618.3750n 641.4585 16.66 7280.4318 7738.1291 7306.3633 8333.7011 8118.8405 7174.2642 16.66_633.4338m/z 633.4338 16.66 21409.3471 23486.9291 23668.1350 24212.1366 23078.6822 21724.4281 16.66_639.4246m/z 639.4246 16.66 13272.7114 14080.3256 13597.1690 14298.8077 13316.6081 12523.5236 16.66_645.5204m/z 645.5204 16.66 9864.1496 19758.8559 24561.3740 21481.8965 23826.4370 23530.0385 16.66_713.4702m/z 713.4702 16.66 35478.6338 39707.3457 42388.0434 44351.5082 42662.1739 40522.5170 16.66_737.4590m/z 737.4590 16.66 27571.1131 31107.9353 31682.2403 32461.8552 32084.7113 30488.4883 16.66_74.0964m/z 74.0964 16.66 186.9898 174.1707 208.2821 189.7794 192.6359 162.7013 C4H11N Diethylamine 59223 MEDIUM 16.66_821.5093m/z 821.5093 16.66 70193.3027 76761.6269 78575.6083 83290.2059 84107.9834 102336.9366 16.66_852.5543n 836.5317 16.66 6343.1535 9326.4645 10363.6633 10266.6395 10413.7590 9351.7231 16.66_891.6588m/z 891.6588 16.66 3711.2462 4338.7423 7794.6811 8947.1991 7833.0814 7814.8938 16.66_997.7123m/z 997.7123 16.66 917.7055 1278.8808 1287.4785 1571.9082 1393.2527 1198.4730 16.67_306.2359n 307.2431 16.67 8141.5306 8036.9708 8545.6984 8323.6488 8049.5812 7477.5543 16.67_339.2683m/z 339.2683 16.67 7142.4120 6905.0592 7207.4221 6768.8446 7603.6536 6213.1676 16.67_340.2266n 323.2233 16.67 32403.2971 31260.6887 31665.2652 30192.1953 30511.2024 28327.9406 16.67_343.1665m/z 343.1665 16.67 7799.2705 7821.5985 8183.5141 8080.3066 7813.3299 7587.5516 16.67_345.1755m/z 345.1755 16.67 6919.3232 6839.1518 6992.5128 7014.4043 7116.0916 6518.2129 16.67_351.1879m/z 351.1879 16.67 4009.3996 3838.1158 4014.2973 3882.7528 3976.3234 3655.7423 16.67_364.1901n 347.1868 16.67 12996.1404 12402.6567 12723.4606 12076.5441 12247.3596 11540.9226 C20H28O6 Phorbol CHEBI:8116 MEDIUM 16.67_379.2203m/z 379.2203 16.67 2587.7936 2449.5563 2417.0739 2371.4541 2431.1019 2223.9346 16.67_388.2178m/z 388.2178 16.67 2543.7419 2393.2610 2357.5533 2195.5240 2264.1218 2198.8488 16.67_390.2179m/z 390.2179 16.67 1695.1784 1551.1543 1581.8983 1497.0612 1646.6770 1379.3716 16.67_413.3328m/z 413.3328 16.67 4750.8058 4654.7486 4789.4435 4260.1925 5483.9262 5311.7944 16.67_426.2721n 427.2794 16.67 41448.0908 43028.5460 42758.5594 42857.2517 41491.0771 41499.3753 16.67_431.3423m/z 431.3423 16.67 8952.2240 9576.3223 9874.7629 11251.4775 11720.5331 12189.6703 16.67_477.1513m/z 477.1513 16.67 2147.0953 1913.7022 1958.6902 1814.4020 1941.9549 1628.8952 16.67_479.1516m/z 479.1516 16.67 1563.4728 1221.3829 1247.9053 1006.6914 1316.1111 978.0209 16.67_480.2595n 481.2676 16.67 26362.9680 26029.6930 25962.6063 25160.8214 24962.5963 24172.7252 16.67_481.1444m/z 481.1444 16.67 359.2321 263.2978 302.7170 224.9659 395.4615 260.9108 16.67_505.2745n 489.2519 16.67 55835.2111 54988.3589 54476.2882 52943.3756 53974.7534 50159.4731 16.67_537.1414m/z 537.1414 16.67 447.0774 336.6334 339.5224 317.8599 404.6504 317.6046 16.67_543.1490m/z 543.1490 16.67 245.3468 223.1147 173.6473 107.8502 196.3572 171.5227 16.67_552.1405n 535.1372 16.67 435.0167 306.5060 321.9023 233.0337 275.4760 309.0435 16.67_623.5027n 607.4802 16.67 11752.1688 11834.8139 12216.9873 12387.2512 11925.4297 10370.7056 16.67_653.4120m/z 653.4120 16.67 9952.3622 10616.9420 10753.6174 11264.0569 11055.3577 9814.4374 16.67_709.5356m/z 709.5356 16.67 13320.5680 14220.5726 46341.5314 46588.0903 40062.1463 42905.5277 16.67_735.4607m/z 735.4607 16.67 8317.2719 9865.5249 10460.4783 10796.9035 10083.3727 9735.2768 16.67_772.5363m/z 772.5363 16.67 10388.4642 11903.1877 12408.2593 13145.1971 12660.3363 13101.2311 16.67_815.6712m/z 815.6712 16.67 5766.5054 18632.8954 20473.5102 18698.5592 19256.0165 19705.3253 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134.4279 315.4282 187.5263 292.6176 17.02_414.7604m/z 414.7604 17.02 1408.8080 1374.0641 1401.1034 1433.8030 1449.8422 1458.6935 17.02_432.3132n 455.3104 17.02 96005.2192 90342.7212 93598.0262 86926.7042 90675.0084 89605.6582 17.02_553.4018m/z 553.4018 17.02 11259.3492 11415.3501 11204.1801 11124.9756 10826.5735 10542.8092 17.02_564.1723n 587.1604 17.02 3631.8025 2536.6536 3031.8389 2419.2357 2935.2259 2974.6922 17.02_640.9387m/z 640.9387 17.02 1248.9562 1319.0395 1192.5400 1284.9056 1222.0647 1254.4618 17.02_717.0062m/z 717.0062 17.02 208.6763 205.7903 139.3213 150.9577 163.5553 163.6194 17.02_735.5714m/z 735.5714 17.02 12738.6583 38247.8433 42678.2678 37799.4488 43403.6540 40626.8991 17.02_945.7096m/z 945.7096 17.02 35263.3896 45189.3994 50213.5889 78184.4313 86456.1307 83032.9500 17.03_213.1118m/z 213.1118 17.03 1041.2287 871.7744 1054.1554 817.4132 927.4233 909.9166 17.03_246.9004m/z 246.9004 17.03 7269.6883 6606.0906 7097.0765 6258.2190 6424.5567 6202.8573 17.03_521.3488m/z 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17.11_315.7088m/z 315.7088 17.11 343.0126 329.6979 302.3729 362.6540 342.5796 299.8341 17.11_655.4833m/z 655.4833 17.11 186396.2043 192995.6297 172975.2046 186465.9747 179553.6151 171235.5012 17.12_444.7688m/z 444.7688 17.12 3324.8223 3544.4451 3502.0298 3660.7509 3657.6599 3266.3598 17.12_473.3467m/z 473.3467 17.12 4012.1099 4355.3615 3692.8289 4295.9300 4392.1308 4709.8243 17.13_369.7337m/z 369.7337 17.13 10447.4491 10662.0714 10812.0417 10872.6563 10436.2107 10017.3610 17.13_388.7337n 411.7153 17.13 5754.3708 5461.1478 5375.3451 4855.0204 4602.2275 4545.2860 17.13_742.9667n 726.9694 17.13 318.6508 456.2898 276.2643 407.2083 170.0917 249.3871 17.13_757.0128n 740.9819 17.13 3216.8356 3501.5938 2683.3178 3172.7359 2749.3910 2347.7365 17.13_799.9871m/z 799.9871 17.13 237.9405 244.9258 111.4731 302.2162 198.0269 176.3618 17.13_872.5646m/z 872.5646 17.13 150811.7099 184391.0618 178999.3416 191368.2072 188329.2507 186631.5865 17.13_896.5516n 919.4417 17.13 28040.2472 29543.2489 24315.4553 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476.4253 606.0518 593.5771 520.5067 17.14_531.8095m/z 531.8095 17.14 1896.6776 1853.3652 1557.5791 1596.9892 1567.7435 1428.3633 17.14_638.4400m/z 638.4400 17.14 18908.7499 19169.3910 18555.6482 19029.2653 18856.5351 17742.0472 17.14_674.5152n 697.5106 17.14 460773.7188 490917.6479 470793.9835 508068.2763 595676.6947 510925.7931 17.14_687.0207m/z 687.0207 17.14 756.4215 782.4120 632.7307 757.4276 600.9806 409.5680 17.14_695.0106m/z 695.0106 17.14 2478.4609 2337.4595 2215.8286 2509.4922 2190.1422 1940.1969 17.14_705.9868n 706.9941 17.14 4195.3198 4262.6768 3794.4649 4165.6329 3571.3893 3155.0130 17.14_707.4934m/z 707.4934 17.14 13900.1500 14411.0132 15325.4396 16579.8275 16092.6337 15528.7119 17.14_714.0400n 698.0174 17.14 1629.5808 1692.6596 1612.4179 1822.8554 1546.3563 1345.9659 17.14_767.9779n 751.9815 17.14 2216.7074 2352.2569 1934.8733 2104.4773 1950.1331 1542.7477 17.14_775.0047m/z 775.0047 17.14 7350.2581 7303.6246 6706.5392 7155.0291 6221.7778 5540.3233 17.14_781.0107n 782.0179 17.14 20198.2416 21117.4025 18958.2399 20370.5498 17846.4652 15921.2977 17.14_787.0242n 804.9977 17.14 4756.1766 4807.4064 4196.7028 4761.8257 4166.7088 3764.8746 17.14_787.9985n 771.9759 17.14 4897.9817 5010.1175 4561.1865 4890.1748 4275.8321 3914.8976 17.14_811.9905m/z 811.9905 17.14 778.8089 938.5707 663.7828 844.4800 958.7643 956.4320 17.14_820.9803m/z 820.9803 17.14 1365.7686 1230.8202 986.0735 1019.1375 889.5792 936.8940 17.14_826.9936m/z 826.9936 17.14 7032.8882 7228.0856 6335.4240 7080.9103 6507.2529 5696.5049 17.14_835.0114n 835.9892 17.14 5687.6483 6178.2101 5274.2719 6138.5588 5413.2113 4902.3356 17.14_848.5678m/z 848.5678 17.14 382873.2091 432622.8036 411763.2315 455088.7958 436431.0230 419137.9737 17.14_849.9973m/z 849.9973 17.14 3433.4406 3302.1042 2758.7988 3376.9330 3109.0271 2590.9292 17.14_869.0517m/z 869.0517 17.14 1835.5022 2224.3758 1515.9451 2041.6116 1885.9014 1583.5371 17.14_881.9858n 883.0103 17.14 1228.0335 1580.1184 821.5630 1372.7452 910.6277 833.8811 17.14_933.5551n 916.5518 17.14 9106.4840 9917.6203 9787.8369 10255.0481 9811.9858 9426.1410 17.15_118.1226m/z 118.1226 17.15 124.8896 163.9574 128.4670 89.0476 100.6902 122.1564 C6H12O 2-Oxohexane 421633 MEDIUM 17.15_833.5630m/z 833.5630 17.15 59621.0678 67565.3286 66092.6972 71282.3272 68167.7313 66507.5175 17.17_414.3586n 437.3534 17.17 22733.8463 23159.8064 19193.0579 19336.4351 18575.6250 21658.1602 17.17_430.3354n 453.3252 17.17 27588.4124 56279.2949 85300.6571 87820.1334 97563.1161 103062.2829 17.17_431.7929n 432.7684 17.17 13864.7675 13909.6679 13906.8725 13209.7462 12795.5296 12521.2067 17.17_910.7068n 893.7035 17.17 28826.5972 38261.2772 102895.3235 118233.5646 111305.1760 120134.1411 17.18_234.0593m/z 234.0593 17.18 898.9314 920.8928 1064.9109 871.5331 911.0123 897.0497 17.18_265.9658m/z 265.9658 17.18 334.9276 223.0472 267.8514 230.0310 225.8792 112.8530 17.18_679.4816m/z 679.4816 17.18 50230.2158 51847.9807 49705.2221 51117.2751 49943.1349 48555.7947 17.18_906.2375n 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5525.1353 6079.3444 5691.3128 5813.8155 19.96_680.5999m/z 680.5999 19.96 1619.6931 1674.1444 1859.2107 1882.2042 1444.0383 1699.9257 19.96_683.6030n 667.5260 19.96 42621.2740 42610.6038 39566.9485 40787.4607 39702.5687 42546.0760 19.96_693.5450m/z 693.5450 19.96 25606.4267 25716.4269 24051.0399 23733.6100 25410.9558 24550.5575 19.96_737.0870m/z 737.0870 19.96 635.1616 666.8417 562.1042 650.0316 497.1792 583.4693 19.97_652.5866m/z 652.5866 19.97 14955.0240 15529.1213 14267.4123 15751.1982 14690.5464 13940.5923 19.98_285.1225m/z 285.1225 19.98 111.9033 144.6245 212.2996 128.1546 125.8263 80.7674 19.98_339.2863m/z 339.2863 19.98 6850.3467 7321.5205 7184.9921 7289.1723 7125.2967 6988.7213 19.98_620.5309n 643.5274 19.98 991893.0056 974192.2608 924485.0076 936134.5058 894022.0107 889495.7300 19.98_643.7414m/z 643.7414 19.98 7272.2094 7109.4921 5084.7234 6012.1310 3429.8330 4087.9415 19.98_683.5133m/z 683.5133 19.98 6842.7557 14099.6192 17746.4392 15444.3592 16824.3867 16529.2275 19.98_711.5236m/z 711.5236 19.98 2497.6951 4134.6316 5403.4412 4966.9718 5170.3276 5160.6008 19.99_330.7516m/z 330.7516 19.99 691.8688 763.2352 761.2983 722.0197 758.0340 722.2005 2.03_143.0022m/z 143.0022 2.03 677.8984 634.2433 690.8417 677.4361 691.6219 698.9278 2.04_260.1618m/z 260.1618 2.04 364.5621 346.5561 340.0519 301.3260 333.3510 338.1105 2.11_166.0265m/z 166.0265 2.11 905.4965 972.0542 1049.6523 783.6944 782.8200 996.6483 2.15_175.0317m/z 175.0317 2.15 1654.4801 1562.1786 1658.1594 1379.1613 1499.7023 1759.3402 2.15_272.1533m/z 272.1533 2.15 87.5487 69.1823 73.8584 60.5201 73.5408 72.4697 2.16_147.1133m/z 147.1133 2.16 245.2447 146.8778 130.6490 135.0259 136.5404 169.9072 C6H11NO2 D-Pipecolic acid D-Pipecolic acid HMDB05960 MEDIUM 2.16_257.1398n 258.1464 2.16 629.6125 586.6773 606.9755 585.8583 591.5156 607.7234 2.16_263.1381m/z 263.1381 2.16 195.7565 249.8082 183.9918 189.5637 213.1806 218.7069 2.16_271.6523m/z 271.6523 2.16 301.0739 277.1765 280.2819 313.1333 315.8788 325.2943 2.20_177.1033m/z 177.1033 2.20 5176.1556 5470.3428 5568.4777 5345.5041 5498.8329 5924.2601 C10H12N2O Cotinine Cotinine HMDB01046 486-56-6 MEDIUM 2.21_215.0158m/z 215.0158 2.21 684.6346 608.7009 687.4968 561.0949 523.9632 620.2348 C6H8O7 Citric acid Citric acid HMDB00094 MEDIUM 2.22_124.9925m/z 124.9925 2.22 391.5945 407.4519 415.7076 406.9125 428.1866 423.6306 2.22_160.0057n 143.0024 2.22 1831.4796 1498.8618 1541.2147 1397.3882 1618.3020 1550.9636 2.22_189.0083m/z 189.0083 2.22 3863.7549 3262.1119 3379.4319 3339.5046 3447.6811 3398.1413 2.22_247.0513m/z 247.0513 2.22 756.3893 572.8362 649.7659 511.6882 616.6622 598.2717 2.22_265.0595m/z 265.0595 2.22 305.4348 246.0921 254.5624 204.1563 241.6852 227.7806 2.23_150.0864m/z 150.0864 2.23 966.6928 916.6423 1031.4445 877.1851 918.6860 1068.6332 C4H8N2O3 L-Asparagine Asparagine 17196 MEDIUM 2.23_175.1201m/z 175.1201 2.23 207.2245 209.0326 172.1864 182.1415 199.9825 219.6462 C6H14N4O2 L-Arginine Arginine 16467 MEDIUM 2.23_208.9611m/z 208.9611 2.23 170.6623 132.9505 185.1298 130.4703 173.1533 126.4640 2.23_241.1150m/z 241.1150 2.23 754.1336 687.6517 761.1106 652.9716 679.6049 772.4935 2.23_322.1896m/z 322.1896 2.23 526.4679 550.5532 545.7994 494.4733 495.3805 546.2735 2.24_324.4041m/z 324.4041 2.24 1063.7346 984.3312 1039.8924 987.1822 1042.0752 1033.7397 2.25_324.1533m/z 324.1533 2.25 1728.4936 1578.4319 1724.8423 1582.0948 1590.6849 1608.2049 2.25_431.8686m/z 431.8686 2.25 987.1631 998.4010 1015.8626 974.8415 1038.0101 1015.3343 2.26_218.1402m/z 218.1402 2.26 3309.2193 3528.0383 3706.1414 3475.4494 3341.9110 3249.4894 C15H22O2 Scirpene MEDIUM 2.26_432.2030m/z 432.2030 2.26 613.1946 597.5153 618.1054 601.8767 663.2637 640.1586 2.28_276.8297m/z 276.8297 2.28 734.6479 658.1694 731.1574 774.8326 836.1402 636.5981 2.29_371.5583m/z 371.5583 2.29 171.8346 159.2869 177.5065 167.5928 125.4383 169.2521 2.29_371.8929m/z 371.8929 2.29 92.4599 79.4511 116.5882 63.9691 92.7333 100.2153 2.32_179.1112m/z 179.1112 2.32 141.2468 175.7204 160.9298 140.9870 144.8650 183.5559 2.32_208.1140m/z 208.1140 2.32 455.8705 409.4864 424.1683 408.9003 425.6652 454.4592 2.32_311.5129m/z 311.5129 2.32 131.9143 132.9742 126.9127 118.9882 105.4111 119.1918 2.32_367.5082m/z 367.5082 2.32 97.9524 89.7781 93.9845 93.9752 97.0776 77.2485 2.35_265.4941m/z 265.4942 2.35 198.4121 189.6191 225.2293 235.5696 229.3724 240.9964 2.35_278.4978m/z 278.4978 2.35 263.0496 220.7529 257.9103 240.8096 245.6652 254.9758 2.35_278.8300m/z 278.8300 2.35 174.9180 186.6229 194.2888 188.4994 192.4733 198.2894 2.35_284.5019m/z 284.5019 2.35 6041.6627 5970.1316 6099.7185 5777.6602 6091.1643 6486.8031 2.35_284.8360m/z 284.8360 2.35 2932.2865 2920.8859 2921.3178 2916.1052 2991.4654 3036.1608 2.35_285.1705m/z 285.1705 2.35 920.5777 863.3096 873.8607 860.0440 885.7709 905.6306 2.35_376.7141m/z 376.7141 2.35 165.5621 143.5691 127.4320 140.4391 108.0967 155.9429 2.35_426.2484m/z 426.2484 2.35 1670.8373 1763.7165 1673.7796 1496.7882 1603.7906 1593.7803 2.35_426.7499m/z 426.7499 2.35 671.5335 646.2937 651.5067 587.3600 595.9100 675.7010 2.36_291.1677m/z 291.1677 2.36 281.6727 218.8389 252.2966 243.8747 260.4601 257.8046 2.37_293.6884m/z 293.6884 2.37 126.9267 160.8034 155.2370 148.6178 137.7768 166.1267 2.38_203.0806m/z 203.0806 2.38 400.2228 397.6348 423.5405 333.6637 355.2947 391.8763 C11H12N2O3 5-Hydroxy-L-tryptophan 5-Hydroxy-L-tryptophan HMDB00472 HIGH 2.42_315.0817m/z 315.0817 2.42 355.4023 324.5062 338.9425 227.3077 199.2571 291.3491 2.49_303.1474m/z 303.1474 2.49 289.1625 314.7509 323.5134 277.3551 311.9668 342.1599 2.53_153.0444n 154.0514 2.53 493.9505 449.1532 441.2726 441.5340 434.6652 443.3666 2.53_175.0419m/z 175.0419 2.53 914.0355 852.1584 881.8801 802.0759 838.0258 889.6894 2.53_289.1480m/z 289.1480 2.53 110.8038 99.1556 117.4209 91.3702 101.2403 114.5016 2.54_333.1466m/z 333.1466 2.54 138.1818 129.6305 147.9135 106.5171 99.5060 121.3477 2.54_556.0105m/z 556.0105 2.54 734.4462 811.7603 766.2884 711.2538 710.5791 733.9490 2.55_269.1152m/z 269.1152 2.55 609.4600 564.4669 575.7222 607.6814 573.2010 620.5868 C17H19NO3 Hydromorphone Hydromorphone 5790 MEDIUM 2.55_276.1464m/z 276.1464 2.55 8094.6163 6341.8613 6958.9839 5546.3274 4083.0235 2142.3540 C17H24O4 Trichodermin MEDIUM 2.55_555.7593m/z 555.7593 2.55 608.3824 690.1376 563.4428 653.3099 647.3133 627.0414 2.55_556.2617m/z 556.2617 2.55 520.5962 431.5058 409.6093 430.3018 456.5693 422.8897 2.57_556.5117m/z 556.5117 2.57 69.3133 182.4758 127.9178 80.5695 136.7131 127.5611 2.60_153.0670m/z 153.0670 2.60 3295.7456 3305.5186 3228.1547 3110.1742 3198.2752 3278.6944 C12H11N Diphenylamine 4640 MEDIUM 2.60_338.1740m/z 338.1740 2.60 1178.6578 1193.7240 1294.1371 1272.7549 1301.5530 1396.0455 2.60_338.4244m/z 338.4244 2.60 433.2780 443.5808 462.3758 445.2766 496.8607 562.9328 2.61_256.4870m/z 256.4870 2.61 42.1499 57.6881 36.5220 55.7334 50.2130 54.5835 2.61_342.8433m/z 342.8433 2.61 358.9169 360.3404 380.4815 389.7556 346.1563 353.9254 2.61_343.1774m/z 343.1774 2.61 198.4614 158.2566 185.8247 183.8460 169.8030 179.3443 2.61_355.5002m/z 355.5002 2.61 680.0637 701.3692 731.3429 707.2295 706.0665 808.5276 2.61_383.2240m/z 383.2240 2.61 193.6529 209.2189 229.2949 216.6631 231.4718 242.6524 2.61_513.7616m/z 513.7616 2.61 717.1966 691.3600 606.2039 730.6618 751.5263 607.7928 2.62_255.8189m/z 255.8189 2.62 846.5587 854.2195 876.2510 859.9998 906.0869 910.2134 2.62_261.1463m/z 261.1463 2.62 290.0762 273.6734 270.7370 266.1052 242.3166 272.4538 C16H23NO3 Promacyl MEDIUM 2.62_337.9233m/z 337.9233 2.62 1635.4521 1714.8256 1837.1333 1771.4424 1933.9494 2037.6137 2.62_355.8353m/z 355.8353 2.62 386.4176 359.4561 396.2701 408.6790 402.6259 444.9532 2.62_372.1841m/z 372.1841 2.62 2276.6891 1807.6420 1627.1448 1211.0915 1503.2949 1039.6862 C22H23N5O2 Roquefortine MEDIUM 2.62_514.2625m/z 514.2625 2.62 296.9550 302.8746 263.8764 311.0193 267.9515 251.3620 2.63_256.1531m/z 256.1531 2.63 333.2819 331.8156 357.5170 354.6021 338.8438 347.2343 2.63_450.5620m/z 450.5620 2.63 290.9213 249.0172 273.6151 247.4031 283.9667 284.4079 2.64_359.2037m/z 359.2037 2.64 213.6492 237.3019 250.6537 241.5983 249.3694 227.1926 2.65_284.5835m/z 284.5835 2.65 203.6074 201.3219 234.6129 214.8257 199.0323 203.2470 2.65_530.2129m/z 530.2129 2.65 543.1823 551.9216 629.5953 571.2333 568.2796 558.8332 2.67_281.1626m/z 281.1626 2.67 199.2172 244.1190 246.4373 262.5712 239.0560 250.9019 2.67_289.6765m/z 289.6765 2.67 681.0643 727.5590 745.2178 699.9867 740.6033 752.4588 2.67_290.1775m/z 290.1775 2.67 267.6963 247.9778 273.3979 253.4319 263.9603 273.1079 2.67_387.1719m/z 387.1719 2.67 232.0503 320.5158 254.2391 180.6757 234.2444 153.4499 2.68_293.6658m/z 293.6658 2.68 372.3465 381.8301 382.1810 369.1806 361.0163 418.5839 2.68_302.1790m/z 302.1790 2.68 1576.0739 1546.2583 1569.4239 1454.2699 1604.5329 1619.7889 2.68_302.6802m/z 302.6802 2.68 480.8644 466.7535 467.1570 454.0056 471.2168 469.6757 2.69_216.0996m/z 216.0996 2.69 157.0324 156.9532 167.0365 138.0753 145.0104 167.8432 2.69_275.4947m/z 275.4947 2.69 109.8302 128.7717 111.0026 120.1253 83.1882 107.9753 2.70_175.0323m/z 175.0323 2.70 308.9847 318.7104 320.7377 232.6079 223.7921 285.5051 2.70_274.8261m/z 274.8261 2.70 1159.1084 1183.9078 1264.2528 1172.0283 1251.2905 1205.6371 2.70_275.1605m/z 275.1605 2.70 592.4009 573.2024 577.0531 584.7803 556.4318 616.1536 2.71_411.7352m/z 411.7352 2.71 309.9111 279.7448 258.4853 230.0078 261.7883 287.1762 2.73_262.1667m/z 262.1667 2.73 433.9160 481.0349 477.9442 458.7046 470.9940 445.4280 2.73_86.0979m/z 86.0979 2.73 268.4956 269.1620 228.7527 221.2085 228.3043 230.6326 2.74_294.6415m/z 294.6415 2.74 96.2306 95.4795 135.4083 112.5386 107.2445 128.2667 2.74_298.8978m/z 298.8978 2.74 1805.8503 1815.8893 2012.3005 1956.5874 1935.8453 1936.5851 2.74_299.1481m/z 299.1481 2.74 1160.5015 1074.4634 1224.8931 1057.2159 1089.2777 1231.5005 2.74_299.3991m/z 299.3991 2.74 351.8676 375.6543 391.7458 391.0136 371.1590 373.6393 2.74_299.6487m/z 299.6487 2.74 38.0657 67.3110 53.7075 52.1581 60.4947 41.7043 2.74_398.1941m/z 398.1941 2.74 3510.5140 3677.0783 3904.6976 3695.0116 3658.5698 3820.4705 2.74_398.5285m/z 398.5285 2.74 2276.4418 2333.3034 2329.6875 2391.4109 2358.7982 2413.8161 2.74_398.8621m/z 398.8621 2.74 812.6437 877.3813 863.6122 860.7704 893.6540 875.1848 2.74_596.7868m/z 596.7868 2.74 135.9440 205.0638 196.9460 176.9405 136.9432 167.0999 2.75_523.7353m/z 523.7353 2.75 6119.7665 6576.0488 6490.7755 6720.5485 6584.5536 6408.9628 2.75_523.9860m/z 523.9860 2.75 6142.1103 6636.5698 6480.9224 6383.0812 6466.1457 6245.0055 2.75_524.2365m/z 524.2365 2.75 3302.3896 3812.8837 3537.5941 3510.8538 3761.3845 3580.5423 2.75_524.4872m/z 524.4872 2.75 1366.6298 1543.7457 1482.6284 1456.9622 1525.7500 1497.0694 2.75_529.9754m/z 529.9754 2.75 94.1624 111.1455 90.4340 105.9324 79.7581 100.9641 2.75_533.2219m/z 533.2219 2.75 374.2388 438.6190 406.4874 391.9170 361.6600 425.9956 2.75_533.4725m/z 533.4725 2.75 405.1897 423.7977 377.2505 440.1327 384.3750 429.5796 2.75_533.7233m/z 533.7233 2.75 197.7600 210.0651 253.6628 188.3549 237.7903 201.7999 2.75_536.4848n 537.4649 2.75 199.2058 198.5107 217.1691 159.2958 218.0092 186.2198 2.75_537.2133m/z 537.2133 2.75 122.4971 202.5117 140.6813 189.0776 213.0667 143.4255 2.75_592.9419m/z 592.9419 2.75 275.0722 395.5642 351.6353 345.9941 353.9601 288.7567 2.75_593.2760m/z 593.2760 2.75 226.2614 316.1769 261.2645 270.0703 262.9281 269.9034 2.75_616.6208m/z 616.6208 2.75 683.2667 943.5164 950.9708 798.2475 795.4163 692.9413 2.75_616.9553m/z 616.9553 2.75 616.8968 743.6865 724.3335 665.7772 717.0404 651.0042 2.75_697.9782m/z 697.9782 2.75 1693.3210 1603.6954 1664.4139 1412.4818 1462.7757 1437.1678 2.75_698.3125m/z 698.3125 2.75 1387.8081 1452.4490 1470.1187 1213.0227 1296.5116 1198.5429 2.75_698.6462m/z 698.6462 2.75 836.5881 751.1358 760.7373 611.7379 641.8061 652.7503 2.79_216.1011m/z 216.1011 2.79 229.7456 247.8685 271.7689 235.1550 258.2355 251.2676 2.79_482.2515n 465.2482 2.79 922.9910 968.6039 973.2866 907.4848 844.4001 800.4668 2.85_457.4556m/z 457.4556 2.85 9813.7506 10015.2145 10345.3772 10410.6937 10523.2178 10711.8934 2.85_457.7062m/z 457.7062 2.85 8462.6720 8760.5671 8987.8248 8889.8777 8984.5568 9027.7965 2.85_457.9568m/z 457.9568 2.85 4366.4651 4407.5495 4582.0719 4662.3501 4421.9746 4589.2341 2.85_462.9386n 463.9458 2.85 235.9166 154.6990 223.6754 206.6808 218.1168 222.0375 2.85_463.4454m/z 463.4454 2.85 279.4269 315.1895 273.3958 311.9575 274.9728 309.2852 2.85_467.4430m/z 467.4430 2.85 573.7608 589.2927 603.3727 561.8206 522.6734 564.3546 2.85_467.6940m/z 467.6940 2.85 174.5776 178.9960 230.7307 186.1051 221.1132 201.4603 2.85_470.2071n 471.1856 2.85 491.0655 526.1791 674.7644 586.7929 530.7005 558.2010 2.85_470.4572n 471.4359 2.85 241.2881 257.4937 287.2186 228.0597 288.0302 271.1044 2.85_505.2370m/z 505.2370 2.85 180.9840 186.7554 221.9304 200.3419 170.3330 208.3986 2.85_599.5618n 622.5883 2.85 597.6969 584.6765 573.4186 619.9903 528.9095 600.8972 2.85_604.2203n 622.2541 2.85 691.2525 667.1586 611.8737 658.7757 596.2914 611.9932 2.85_610.2738m/z 610.2738 2.85 3267.5633 3362.0508 3192.8866 3163.5752 3061.2602 3279.6365 2.85_616.9334m/z 616.9334 2.85 365.0651 350.4242 364.7147 379.0810 369.5653 393.1428 2.85_622.9210m/z 622.9210 2.85 183.0293 210.8966 212.8274 189.5381 174.5211 189.2159 2.85_626.9426n 609.9393 2.85 6826.7936 7182.8087 6653.9795 6652.4932 6546.3296 6832.9707 2.85_756.3496m/z 756.3496 2.85 236.6356 263.3877 220.5483 243.4519 237.9727 222.8124 2.85_914.4064m/z 914.4064 2.85 232.6722 221.7049 175.7464 209.9715 179.3659 172.0449 2.86_463.6958m/z 463.6958 2.86 214.8223 249.0560 252.0755 274.4818 274.6135 257.9523 2.86_466.9429m/z 466.9429 2.86 1307.1742 1331.5716 1416.1131 1401.4802 1463.2857 1391.4703 2.86_467.1932m/z 467.1932 2.86 1008.2794 1052.3345 1139.8539 1177.7556 1178.3572 1114.0606 2.86_469.9562n 470.9356 2.86 783.7845 753.9991 846.0352 874.5639 880.7088 799.9217 2.86_504.5689m/z 504.5689 2.86 646.1790 743.3731 734.8489 816.1971 708.4265 769.4208 2.86_520.9257n 504.9031 2.86 541.1596 598.8893 639.2888 687.4175 615.3221 673.2450 2.86_528.5823m/z 528.5823 2.86 1483.8201 1602.7714 1544.8669 1672.1401 1531.9459 1692.8402 2.86_528.9164m/z 528.9164 2.86 675.2084 720.0875 696.0378 723.2170 686.5947 836.1920 2.86_545.2515n 528.2482 2.86 1956.6604 2244.6687 2283.2055 2322.0362 2116.4897 2341.6755 2.86_626.6083n 609.6050 2.86 8225.9799 8813.6062 8461.1578 8102.3121 8157.4705 8578.8428 2.88_206.6384m/z 206.6384 2.88 2661.0154 2701.5668 2657.2699 2578.3843 2646.7644 2843.9283 2.88_226.1081n 227.1153 2.88 7499.1746 7633.4669 7643.6689 7489.4968 7380.2620 8036.6471 2.88_341.1955m/z 341.1955 2.88 736.1158 795.0150 788.3113 763.7800 747.1682 807.7407 C19H24N4O2 Pentamidine Pentamidine 45081 MEDIUM 2.88_371.2422m/z 371.2422 2.88 2776.1210 2880.1046 2805.7147 2863.3344 2735.6757 3013.4002 C21H27N3O2 Methysergide 584020 MEDIUM 2.88_70.0670m/z 70.0670 2.88 258.4248 305.8195 273.9869 262.5867 274.0160 303.5951 2.89_162.0837n 146.0611 2.89 1544.0028 1531.3887 1562.0175 1467.6480 1447.5009 1590.1008 2.89_166.0264m/z 166.0264 2.89 211.9661 223.9957 206.4919 183.5412 169.3637 221.4225 2.89_169.1346m/z 169.1346 2.89 214.0417 199.4448 189.5273 180.8212 156.6611 172.1801 C9H13NO Phenylpropanolamine Phenylpropanolamine HMDB01942 HIGH 2.89_191.0597n 192.0670 2.89 1924.9819 1919.9572 1918.6174 1819.9340 1842.7831 1990.8622 2.89_207.1397m/z 207.1397 2.89 610.6331 619.9036 625.2783 574.7370 596.6018 656.2607 2.89_215.1403m/z 215.1403 2.89 3190.6537 3182.3815 3117.1034 3061.3759 3096.2786 3278.4071 C13H20O alpha-Ionone alpha-ionone 32319 MEDIUM 2.89_220.6359m/z 220.6359 2.89 213.0938 227.7442 220.6038 223.6564 223.6844 253.9259 2.89_229.6414m/z 229.6414 2.89 2435.8049 2420.5994 2382.2650 2402.3926 2342.5986 2553.6536 2.89_230.1424m/z 230.1424 2.89 627.1443 624.3258 623.9041 589.3694 610.7098 606.2425 2.89_233.6087m/z 233.6087 2.89 244.7788 228.4323 213.9957 241.6326 222.8027 226.5846 2.89_234.1110m/z 234.1110 2.89 92.8964 84.0866 92.2270 70.0269 73.5781 57.6131 C13H17NO4 "2,5-Pyridinedicarboxylic acid, dipropyl ester" HIGH 2.89_248.6148m/z 248.6148 2.89 353.8358 346.2685 344.4531 359.6690 338.7749 353.8349 2.89_406.6825n 407.6915 2.89 324.6457 322.7956 330.9265 323.0524 330.5056 326.6549 2.89_457.2674n 458.2746 2.89 13037.8006 13522.8508 12944.7558 13176.8080 12413.6142 14137.6885 2.89_502.2382m/z 502.2382 2.89 344.6407 362.8434 338.9237 342.5520 367.9200 343.5004 2.89_94.0664m/z 94.0664 2.89 196.2001 199.2806 195.4838 174.7390 190.3686 182.4980 2.90_136.0765m/z 136.0765 2.90 302.2637 334.1093 321.3725 296.2344 324.0015 330.2141 C8H11NO2 Dopamine Dopamine HMDB00073 HIGH 2.93_188.0677m/z 188.0677 2.93 170.5242 163.1761 185.4126 175.0054 153.8182 161.8868 2.96_167.0573m/z 167.0573 2.96 751.6436 726.2777 771.6839 753.7542 717.4549 772.4984 C6H6N4O2 7-Methylxanthine 7-Methylxanthine HMDB01991 MEDIUM 2.96_195.6094m/z 195.6094 2.96 143.0853 159.4586 147.2412 135.4454 145.0285 148.0888 2.96_343.1709m/z 343.1709 2.96 515.2541 508.2295 494.2364 481.5610 499.5362 540.5379 2.96_343.5047m/z 343.5047 2.96 281.1527 246.0921 272.4597 285.6892 273.6621 294.8263 2.96_355.8199m/z 355.8199 2.96 716.0999 729.8906 687.5433 731.6293 732.0778 719.8099 2.96_372.1767n 356.1541 2.96 724.8039 669.3513 646.6583 646.6638 725.2943 748.0137 2.96_418.4299m/z 418.4299 2.96 486.0508 476.3490 539.5625 511.5626 507.5988 538.1370 2.96_418.6804m/z 418.6804 2.96 416.6868 381.7020 380.5874 418.6787 368.6506 461.7061 2.96_418.9317m/z 418.9317 2.96 187.3092 192.3169 207.2655 206.5969 238.9784 219.8921 2.96_427.9167m/z 427.9167 2.96 364.2769 329.2666 339.2540 314.9649 321.1498 353.3599 2.96_428.1672m/z 428.1672 2.96 263.5372 234.6004 237.3097 215.0226 261.0441 273.2072 2.96_476.2135m/z 476.2135 2.96 210.3506 183.1488 175.4689 204.9022 242.6097 248.4703 2.96_514.2526m/z 514.2526 2.96 1081.7327 1114.9689 1094.2453 1157.7047 1008.0076 1158.6583 2.96_514.7542m/z 514.7542 2.96 562.6663 593.4534 584.4351 560.8617 534.0718 559.3720 2.96_557.9053m/z 557.9053 2.96 3099.4419 3130.9962 3136.3353 3116.1702 3103.7856 3152.3611 2.96_558.2391m/z 558.2391 2.96 1390.4450 1449.4200 1398.4632 1400.3175 1348.9965 1371.9645 2.96_570.2203m/z 570.2203 2.96 323.7142 314.2704 365.2420 315.2086 273.4169 347.3860 2.96_570.5539m/z 570.5539 2.96 236.7061 234.4897 223.2778 230.7438 252.4281 270.6140 2.96_574.5744n 557.5711 2.96 4156.8942 4207.8321 4319.1441 4397.2703 4048.8265 4143.0104 2.96_655.2954n 638.2921 2.96 769.6373 785.8342 766.6695 739.7670 736.5068 791.2187 2.98_183.0520m/z 183.0520 2.98 534.3957 554.6750 563.5601 466.5136 524.2931 504.4847 C6H6N4O3 1-Methyluric acid 1-Methyluric acid HMDB03099 MEDIUM 2.99_166.0266m/z 166.0266 2.99 281.0064 294.3258 303.4404 209.1159 215.5674 275.7720 20.00_659.5040m/z 659.5040 20.00 17994.8396 18996.7685 20727.8574 19502.9347 19557.0262 20015.1319 20.00_758.5635m/z 758.5635 20.00 8886.7401 9601.6251 10403.9388 10002.3909 10109.6362 9920.7841 20.07_547.4002m/z 547.4002 20.07 4766.8785 4305.8566 4440.1257 3712.0795 3867.0163 4157.3389 20.07_625.5026m/z 625.5026 20.07 830.7488 846.5854 839.8225 793.6274 764.3650 721.5106 20.07_849.6587m/z 849.6587 20.07 101035.0325 118972.9693 119198.2167 127902.3416 127917.1064 182233.0209 20.08_703.5608m/z 703.5608 20.08 47515.8715 302512.7892 376815.9432 315442.6128 374054.3684 358840.6602 20.08_725.5460m/z 725.5460 20.08 43360.7995 49494.6162 56041.1251 55945.7751 55828.7759 56570.7808 20.09_698.5973m/z 698.5973 20.09 302.3008 2734.7506 3911.3287 3381.1249 3887.0994 3814.2181 20.09_915.6904m/z 915.6904 20.09 23747.2926 67476.5577 84168.8452 82883.4306 91365.2497 85552.9360 20.10_324.9851m/z 324.9851 20.10 17460.4795 16749.8807 17906.7877 16681.2320 17068.5069 16899.1247 20.10_701.5457m/z 701.5457 20.10 15139.3596 22630.0776 29402.3333 29031.2062 30611.6797 31233.8639 20.10_961.7310m/z 961.7310 20.10 45345.8423 67068.2586 75897.7544 78070.7607 79051.1285 77676.3271 20.11_666.5922m/z 666.5922 20.11 642.5086 852.7304 702.6794 770.0240 793.6055 579.0441 20.14_357.0298m/z 357.0298 20.14 27981.4639 25691.3346 27632.5893 25829.6781 25619.7799 26050.8340 20.14_402.2838n 420.3176 20.14 14286.2454 14828.0410 13581.3676 14874.0526 14553.0011 13346.1181 20.14_420.8236m/z 420.8236 20.14 15988.5030 16046.9262 15707.3173 15659.1372 15959.8869 14604.8287 20.14_485.2716m/z 485.2716 20.14 13618.6498 13182.1672 13587.1100 13180.6229 13557.3081 13295.6733 20.14_833.1422m/z 833.1422 20.14 930.0909 1189.0744 818.4157 1435.2384 1052.5161 928.7264 20.14_885.6643m/z 885.6643 20.14 14955.2545 26371.3558 29469.6075 27628.3569 30249.7098 30322.6073 20.14_896.1127m/z 896.1127 20.14 2333.0940 2959.1558 1045.0213 2496.4299 2195.5068 1103.8763 20.14_902.1114m/z 902.1114 20.14 1324.3331 1321.8676 730.2635 1163.0198 1073.4808 575.5507 20.16_432.3019m/z 432.3019 20.16 3818.5173 4081.5114 3700.6978 4197.8486 4165.0124 3879.3931 20.16_656.5923m/z 656.5923 20.16 11309.1049 10980.4126 9520.7430 10483.0295 10378.3567 9493.8645 20.16_800.6726n 823.6635 20.16 238770.0717 282312.8997 258751.8410 311206.7291 355100.0551 336319.6496 20.16_808.5867m/z 808.5867 20.16 18264.5094 19607.0491 18920.9346 19677.4630 19611.9853 19273.1802 20.16_821.1560m/z 821.1560 20.16 430.6435 582.9979 404.6664 573.8747 587.8794 392.2411 20.16_929.7299m/z 929.7299 20.16 56710.7134 73054.7720 71386.1066 77299.2020 78308.2842 74954.9922 20.16_977.7110m/z 977.7110 20.16 34152.4872 42970.4098 42476.0130 45390.0793 44654.6297 43053.6455 20.17_412.8427m/z 412.8427 20.17 2119.1115 2123.9135 1970.7363 2205.5836 2123.2491 1909.4513 20.17_945.7446m/z 945.7446 20.17 55000.3495 70382.9354 148561.4863 177667.2930 182116.1202 192103.5870 20.18_141.9307m/z 141.9307 20.18 330.2737 328.4354 329.3272 301.1678 320.4189 310.4125 20.18_474.7983m/z 474.7983 20.18 5675.4468 5508.1262 5524.8991 5463.2916 5478.3689 5052.1820 20.19_277.0648m/z 277.0648 20.19 25440.1914 24097.0472 25690.1970 23493.2778 24072.9342 24095.2208 20.20_279.0041m/z 279.0041 20.20 5525.9655 5608.1292 5776.3524 5305.5451 5797.6385 5502.5197 20.20_758.6211m/z 758.6211 20.20 9478.2785 10032.6123 10027.8473 10561.6177 10438.1752 10195.7885 20.21_559.4112m/z 559.4112 20.21 8638.1473 7972.5319 8060.2922 7444.1007 7297.5564 7881.9520 20.21_698.5581n 721.5770 20.21 91751.8909 98203.4106 100910.7955 97907.7411 99958.3300 99289.1130 20.22_292.9802m/z 292.9802 20.22 62056.0610 59336.1828 63063.1795 58534.1727 58864.4117 59927.2229 20.22_693.5411m/z 693.5411 20.22 7604.3786 7243.4361 6835.1237 7512.3654 7281.5144 7186.0417 20.22_717.5435m/z 717.5435 20.22 6705.6984 7997.6338 9894.3835 10460.9942 10277.3897 10334.7022 20.23_689.5582m/z 689.5582 20.23 13806.7729 26096.1414 35246.8157 32872.9075 34101.7533 34442.5909 20.23_933.7103m/z 933.7103 20.23 93811.3198 202749.6669 238462.1132 236016.7046 250346.6563 239626.6947 20.25_572.4314m/z 572.4314 20.25 402.2530 502.0632 419.5730 437.4901 419.0412 548.2589 20.26_457.8176m/z 457.8176 20.26 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20.57 5697.6676 7215.3302 8092.8534 8251.5852 8639.9977 7767.1997 20.57_867.2452m/z 867.2452 20.57 1286.0631 1096.0397 1217.5597 1023.7740 1175.7719 1150.7399 20.58_573.4285m/z 573.4285 20.58 24709.9166 26030.8149 24689.5652 26268.6268 25548.2468 25001.1743 20.58_739.5724m/z 739.5724 20.58 3592.6941 7027.8095 8158.9750 8088.5626 8292.9355 8079.6712 20.59_213.1136m/z 213.1136 20.59 4321.8842 4120.0871 4324.4313 4063.8129 4177.0596 4320.4537 20.59_233.0787m/z 233.0787 20.59 14781.7029 14135.6076 15158.0696 14093.9996 14320.0763 14718.9244 C13H14O5 Citrinin Citrinin 48707 MEDIUM 20.59_683.5275m/z 683.5275 20.59 5557.0220 7386.2299 13205.8995 13462.6066 13173.1393 13765.6014 20.59_893.7218m/z 893.7218 20.59 86793.4449 755507.5095 949559.4319 843058.8703 999985.8580 891015.6666 20.60_121.0398m/z 121.0398 20.60 405.0053 378.2532 397.6372 400.3630 408.1599 409.3120 20.61_158.0972m/z 158.0972 20.61 339.8670 336.9173 359.0559 320.7926 341.8968 365.3205 20.66_241.0803m/z 241.0803 20.66 824.1752 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20369.0164 20573.2103 20.74_292.8403m/z 292.8403 20.74 403.9721 412.9555 442.8405 384.3015 414.5963 336.0152 20.75_132.9224m/z 132.9224 20.75 1093.1995 1101.9773 1119.6871 1061.3101 1096.1116 1066.2796 20.75_200.8929m/z 200.8929 20.75 202.8022 248.5791 300.8923 283.4538 311.8931 206.2519 20.75_269.8278n 270.8423 20.75 12347.4464 11644.2361 12809.3807 11818.8816 12112.3098 11955.2139 20.75_283.1505m/z 283.1505 20.75 1384.0117 1317.7416 1423.4120 1316.2534 1073.6609 1277.3359 20.75_388.8762m/z 388.8762 20.75 6635.7065 6177.3434 6749.5200 6165.1641 6340.2015 6225.7948 20.75_82.9487m/z 82.9487 20.75 209.5742 192.7412 183.3372 181.0802 202.2098 202.2741 20.76_315.1569m/z 315.1569 20.76 16530.3219 15991.9815 17030.1223 15703.3914 15202.8383 16286.6874 C17H24O4 Trichodermin MEDIUM 20.76_702.5521n 685.5488 20.76 13291.9208 34745.1886 43862.6936 42004.2180 48139.0869 47452.0224 20.77_230.8559m/z 230.8559 20.77 1994.3732 1834.5691 2032.4752 1891.4744 2025.0178 1827.0051 20.77_251.1656m/z 251.1656 20.77 540.6536 647.3656 627.0483 567.2793 65.9306 396.6495 20.77_318.7531m/z 318.7531 20.77 153.9367 157.9631 158.7673 105.8563 103.9647 168.4314 20.77_395.1375m/z 395.1375 20.77 50.3319 97.7278 166.5476 104.8713 81.9614 158.4716 20.77_665.5120m/z 665.5120 20.77 704.8416 577.3221 597.6895 441.2436 822.8988 786.0857 20.77_681.4985m/z 681.4985 20.77 3100.5558 3078.6877 3191.4773 2826.6329 3080.3667 3377.6990 20.78_223.0367m/z 223.0367 20.78 48239.0629 48288.2678 49451.6757 52602.0967 49147.3453 52769.7352 20.78_372.9105m/z 372.9105 20.78 4404.8873 3911.7661 4294.0857 4166.8996 3888.2605 4106.4189 20.78_596.5369n 619.5283 20.78 211324.3801 204133.4101 187101.5905 193849.5127 204770.3258 212307.5984 20.78_635.4970m/z 635.4970 20.78 6676.0826 6611.1017 6621.0099 6618.2868 6718.1678 6832.0379 20.79_210.8684m/z 210.8684 20.79 1171.3645 908.4991 1076.5664 959.1458 727.7651 852.1535 20.80_127.9587m/z 127.9587 20.80 2904.6993 2963.0231 3171.4770 2994.1028 3117.1401 3099.3773 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171.8494 20.85_184.9791m/z 184.9791 20.85 15373.1504 14857.8696 15815.8076 14822.4697 15490.9062 15206.0587 20.85_215.9979n 198.9946 20.85 72544.5922 70759.4576 75566.7991 70410.6230 73842.3742 73376.7116 20.85_264.1699m/z 264.1699 20.85 74.2176 80.1543 117.0648 37.6611 91.2178 73.3821 20.85_424.1903m/z 424.1903 20.85 843.1582 793.8496 882.9416 788.3260 831.1085 816.6705 20.85_435.8164m/z 435.8164 20.85 12315.1693 12237.0652 12723.5635 12109.4511 11987.4306 11566.1559 20.85_692.6024m/z 692.6024 20.85 657.4573 614.7221 873.5684 819.6068 666.0882 643.9762 20.87_170.9629m/z 170.9629 20.87 2698.7332 2612.8371 2979.1148 2738.8011 2794.6685 2788.3719 20.87_212.9737m/z 212.9737 20.87 27698.4908 26813.1519 28617.2900 26518.4531 27983.8710 27436.3001 20.87_494.8129m/z 494.8129 20.87 5108.7433 5298.6960 4997.8886 5157.6752 5104.2495 4557.7531 20.87_589.5118m/z 589.5118 20.87 704.7911 609.1669 795.1741 547.7068 643.5180 622.5897 20.88_126.0278n 127.0353 20.88 72389.8563 71043.1487 75346.8559 69823.6211 72370.0901 73107.2636 20.88_141.0507m/z 141.0507 20.88 6145.5900 6248.3840 6729.2053 6107.5279 6525.6381 6637.9868 C7H11NO3 Paramethadione Paramethadione 250989 MEDIUM 20.88_276.1896m/z 276.1896 20.88 186.2218 212.4710 206.6632 197.5940 193.4363 217.2996 20.88_308.9277m/z 308.9277 20.88 14692.4996 13848.8158 15543.2697 14185.7054 14256.6236 14328.2358 20.88_424.9354m/z 424.9354 20.88 3723.4256 3528.9836 4007.7424 3721.4718 3802.9355 3760.3996 20.89_112.0124n 95.0091 20.89 37025.7063 35475.1485 37877.4243 34839.0269 35877.0273 35659.1758 20.89_154.0392n 137.0359 20.89 5722.6896 5439.5494 5737.7551 5167.0018 5212.1454 5168.3147 20.89_167.0660m/z 167.0660 20.89 569.8072 563.2834 567.2630 467.3941 500.9066 492.1481 20.89_202.8919m/z 202.8919 20.89 536.5418 331.9175 462.8946 408.4513 364.3007 403.0265 20.89_253.9478m/z 253.9478 20.89 15777.7402 15217.8510 15905.9143 14749.6008 14753.5059 14827.3328 20.89_294.2028m/z 294.2028 20.89 273.7902 207.8589 268.3384 209.6217 185.8053 230.8180 20.89_350.9143m/z 350.9143 20.89 2856.9832 2803.7118 3069.4414 2802.1847 2984.8918 2896.3980 20.89_412.9083m/z 412.9083 20.89 4804.4602 4333.7186 4882.2159 4360.4801 4607.2837 4374.7642 20.89_439.9050m/z 439.9050 20.89 3227.6338 3129.9161 3254.4734 3032.7049 3038.9050 3001.6529 20.89_486.8217m/z 486.8217 20.89 11140.5628 11469.0366 11128.1097 11147.9363 11216.2089 10274.4211 20.89_548.2686m/z 548.2686 20.89 1813.4872 1764.1374 1757.9158 1769.9093 2171.0573 1633.0271 20.89_64.9995m/z 64.9995 20.89 289.9963 293.9414 304.4781 289.6665 272.6803 295.6149 20.89_79.0141m/z 79.0141 20.89 5393.6896 5410.1992 5840.9972 5540.3354 5825.1167 5869.1708 H4N2O4 Hydroxylammonium nitrate MEDIUM 20.89_80.9938m/z 80.9938 20.89 1821.7571 1770.6598 1843.0198 1707.8822 1721.8730 1701.4547 20.90_123.0044m/z 123.0044 20.90 4574.0824 4427.6525 4658.3090 4373.8800 4478.0593 4449.6417 C6H5NO3 4-Nitrophenol 4-Nitrophenol 16836 MEDIUM 20.90_165.0475m/z 165.0475 20.90 1639.0833 1636.2673 1780.1334 1638.0217 1782.2042 1825.0805 20.90_180.9566m/z 180.9566 20.90 983.4763 1041.2544 1179.5617 1131.1832 1037.1985 1070.7364 20.90_181.0839m/z 181.0839 20.90 55.6302 54.2184 72.9471 73.0162 43.6245 50.3481 20.90_185.0175m/z 185.0175 20.90 8897.3541 8971.7326 8934.1297 8248.0402 6822.4326 8719.7847 C6H4N2O5 "2,4-Dinitrophenol" "2,4-dinitrophenol" 918 MEDIUM 20.90_192.9780m/z 192.9780 20.90 3238.9738 3211.8480 3436.7199 3073.9763 3052.1971 3231.6852 C4H4CoO4 Cobalt(II) succinate MEDIUM 20.90_194.9370m/z 194.9370 20.90 21590.2427 20609.3703 21877.9397 20284.2123 21359.5217 20746.6547 20.90_208.9493m/z 208.9493 20.90 3594.2596 3518.1707 3445.9613 3205.0709 3524.2491 3281.7811 20.90_215.0378m/z 215.0378 20.90 11375.4098 10850.5554 11585.0937 10621.0383 10794.1714 11057.8683 20.90_222.9294m/z 222.9294 20.90 28904.4579 26747.7439 28744.5092 26216.3773 33491.1495 27621.5726 20.90_232.9197m/z 232.9197 20.90 9693.9894 9650.2211 10491.6134 9522.8413 9321.3107 9857.1611 20.90_264.9544n 265.9675 20.90 27295.7426 27124.9361 28510.4171 25909.1456 26089.5467 26719.0966 20.90_435.8574n 458.8500 20.90 9168.9374 9011.8909 9464.4449 8856.2909 8787.2930 8435.3728 20.90_465.8306m/z 465.8306 20.90 3021.8266 2973.7696 2960.2245 2899.6087 2818.5516 2859.6869 20.90_516.7755n 539.7937 20.90 4237.4336 4375.5599 4406.2725 4476.4019 4083.3245 3984.1456 20.90_99.0041m/z 99.0041 20.90 229.6603 187.7971 191.2573 185.9039 160.5127 177.1824 20.91_153.0580m/z 153.0580 20.91 1208.0538 1110.2377 1354.3911 1190.7897 1298.0798 1279.3781 20.91_162.9638m/z 162.9638 20.91 389.2529 367.7737 351.5324 378.0865 346.4162 370.8586 20.91_166.9413m/z 166.9413 20.91 145.4520 82.2863 177.9670 185.6555 178.3268 142.0607 20.91_203.9791n 204.9656 20.91 29084.5974 28446.5376 30331.2137 28156.2474 29261.6968 29022.8998 20.91_218.0267n 201.0234 20.91 16051.9674 15351.1889 16386.6207 14870.0389 15385.4507 15404.2525 20.91_230.9296m/z 230.9296 20.91 8337.4138 8223.1087 8813.3069 8032.7541 8269.6603 8305.2176 20.91_246.9345m/z 246.9345 20.91 3568.8237 3609.3008 3743.2616 3379.8926 3671.8751 3551.3040 20.91_322.8985m/z 322.8985 20.91 8058.1199 7365.1930 8079.3882 7285.3413 7397.6526 7582.4350 20.91_410.9201m/z 410.9201 20.91 2716.8720 2639.8555 2852.8595 2569.0619 2672.9532 2579.4105 20.91_416.8851m/z 416.8851 20.91 7672.3510 7275.4106 8153.3528 7471.3480 6928.7070 7179.8915 20.91_60.9876m/z 60.9876 20.91 554.1108 550.4319 580.7259 524.6311 548.4539 552.4895 20.92_172.9865m/z 172.9865 20.92 5394.3500 5257.9372 5594.2567 5256.7459 5379.9970 5430.6182 20.92_205.9264n 206.9557 20.92 13103.9455 12939.8238 14011.3448 13023.7877 13473.2650 13644.1133 20.92_237.9420n 260.9646 20.92 23122.2380 22726.4546 23589.9857 21896.8425 22040.7794 22657.4359 20.92_250.9631n 234.9405 20.92 30022.2536 28933.8632 30518.8902 28140.4766 29542.5408 28948.5950 20.92_256.9186m/z 256.9186 20.92 3639.6520 3528.0660 3759.5986 3476.7269 3655.9822 3596.6112 20.92_263.9904n 286.9613 20.92 9736.5724 9600.6541 10285.3427 9265.1116 9128.8675 9731.7728 20.92_289.9862n 272.9829 20.92 13362.5605 12870.2154 13826.2007 12693.5258 13105.8945 13079.7007 20.92_313.9437n 314.9510 20.92 10835.2825 10533.9384 11271.4195 10336.0344 10605.7349 10589.3177 20.92_317.9352n 300.9319 20.92 12858.1704 12347.4649 13418.4181 12207.5274 12643.0606 12740.9459 20.92_328.9384m/z 328.9384 20.92 3727.9100 3559.9339 3756.2971 3394.2802 3500.8299 3583.4914 20.92_330.9530m/z 330.9530 20.92 6200.3224 5891.9973 6490.7998 5874.7191 6043.2714 6032.1621 20.92_334.9030m/z 334.9030 20.92 4510.2245 4163.6016 4838.3800 4262.0264 4703.6519 4445.9632 20.92_355.8985m/z 355.8985 20.92 5701.6225 5419.2841 5925.3587 5266.5080 5462.4179 5528.6370 20.92_379.9225n 380.9059 20.92 5208.2026 4833.6011 5234.6525 4771.5378 4856.7080 4863.9673 20.92_383.9231n 366.9198 20.92 20557.0518 19139.2267 20703.0707 19026.8831 19087.8743 19215.1021 20.92_390.8683m/z 390.8683 20.92 15123.6544 14413.8616 15700.4104 14036.0485 14362.8034 14412.6940 20.92_392.8807m/z 392.8807 20.92 5376.7477 5034.0435 5337.2797 5036.4475 5151.2529 5045.2900 20.92_395.8896n 396.9158 20.92 11348.2530 10664.9461 11668.6086 10681.5655 11025.1870 10768.8396 20.92_422.8324m/z 422.8325 20.92 8559.1894 8378.7956 8643.8551 8070.2913 8284.9672 8415.2881 20.92_449.8093n 467.8432 20.92 13227.6598 13043.6226 13721.6639 13320.9455 13074.6497 12386.9977 20.92_547.7931m/z 547.7931 20.92 1863.8336 1701.9726 1814.5601 1828.3854 1685.6506 1513.0746 20.92_75.0031m/z 75.0031 20.92 2714.8611 2695.9076 2877.5842 2696.7565 2881.1011 2915.0565 20.92_91.0344m/z 91.0344 20.92 1675.8084 1815.7787 1916.9381 1821.3788 2020.1982 1992.3747 20.93_106.0218n 107.0288 20.93 25538.8884 25788.4702 27123.6470 25462.3289 27062.0891 27296.3717 20.93_138.0476n 139.0552 20.93 25917.0875 25575.7656 27844.2223 25851.0998 27262.1973 27299.0811 20.93_192.9400m/z 192.9400 20.93 8812.5120 8470.7221 9184.8955 8396.3141 9138.3817 8748.1628 20.93_326.9354m/z 326.9354 20.93 4065.0074 3728.4567 4358.2724 3926.6327 3962.5709 3848.3512 20.93_408.8910m/z 408.8910 20.93 2948.8767 2575.2553 2953.1738 2705.0373 2835.5346 2693.1161 20.93_63.0036m/z 63.0036 20.93 539.3273 530.2250 580.8966 502.4946 532.9603 536.4329 20.93_76.0115n 77.0189 20.93 5557.9047 5593.4817 6070.4699 5701.4317 5922.1337 6099.2920 20.94_120.0029n 121.0086 20.94 9957.6997 9639.4502 10135.1397 9221.2259 9766.7124 9736.9619 20.94_125.0397m/z 125.0397 20.94 28192.4428 26811.2102 28356.0520 25876.5548 26578.6528 26193.9888 20.94_135.0257m/z 135.0257 20.94 3426.4797 3414.0825 3649.4893 3302.3382 3625.3755 3554.3673 20.94_263.2367m/z 263.2367 20.94 163.4397 212.1169 214.5152 171.6889 244.4117 191.7260 C18H32O2 Linoleic acid Linoleic acid 17351 MEDIUM 20.94_313.2732m/z 313.2732 20.94 286.9471 451.6081 469.4825 425.9284 556.6803 491.4441 20.94_335.1624m/z 335.1624 20.94 135.5796 288.1876 286.8617 208.3133 352.1214 268.9979 20.94_342.3102m/z 342.3102 20.94 18.5799 68.7189 102.9503 55.7609 85.2851 101.7098 20.94_401.2508m/z 401.2508 20.94 410.5513 667.2003 628.3480 616.4040 725.8645 644.5932 20.94_402.3449n 403.2754 20.94 632.8142 931.6038 944.3079 908.3940 1089.6246 842.4457 20.94_407.2767m/z 407.2767 20.94 87.7487 182.1204 254.7616 159.9166 300.9561 243.4376 20.94_496.3012m/z 496.3012 20.94 5562.1077 6232.1334 5982.8789 6414.4553 6505.0678 6220.1803 20.94_557.2980n 540.2947 20.94 1674.3873 2149.0218 2092.7292 2066.3013 2387.1807 2105.1013 20.94_566.2934m/z 566.2934 20.94 571.2124 818.6269 686.3378 846.5473 810.1292 769.0664 20.94_575.5017m/z 575.5017 20.94 981.7255 1531.8958 1672.3822 1407.0086 1871.1878 1522.4358 20.94_758.5710m/z 758.5710 20.94 6802.6007 10145.7941 10037.1405 8509.9046 11052.8533 10015.4946 20.94_803.6026n 804.5864 20.94 37835.4881 42499.4363 43193.6560 43206.2964 45376.6327 44704.5934 20.94_808.5942m/z 808.5942 20.94 3633.5145 4832.6544 4966.6467 4705.4336 4951.4309 4964.9395 20.94_93.0134m/z 93.0134 20.94 27764.7121 26950.4113 28818.4387 26548.0965 27241.1466 27249.1439 20.95_111.0242m/z 111.0242 20.95 3681.6400 3410.1925 3743.4628 3354.0658 3393.8550 3286.6347 20.95_133.9302m/z 133.9302 20.95 544.8357 534.8337 548.2356 494.9606 517.0672 514.1456 20.95_149.0127m/z 149.0127 20.95 2151.9231 2282.3758 2428.3539 2196.0056 2428.5330 2348.1608 20.95_202.9410m/z 202.9410 20.95 1451.5258 1419.1329 1452.1636 1307.2456 1384.9310 1398.1986 20.95_358.9398m/z 358.9398 20.95 2674.8866 2655.7384 2546.1117 2342.6262 2457.3313 2444.3030 20.96_214.9630m/z 214.9630 20.96 7433.9749 7193.7820 7387.7015 6861.8698 7621.1309 7317.7712 20.96_240.9578m/z 240.9578 20.96 5157.7516 4906.2557 4914.1416 4569.7370 4741.4466 4871.0739 20.97_153.0378m/z 153.0378 20.97 1375.1798 1316.6389 1315.2257 1246.6764 1258.1731 1249.4447 20.97_216.9559m/z 216.9559 20.97 3881.1487 3798.8157 3685.6421 3511.1071 3612.7380 3551.5074 20.97_242.9455m/z 242.9455 20.97 11049.7117 10824.5774 10962.3377 10019.9168 10205.6374 10278.4845 20.98_118.0867m/z 118.0867 20.98 224.5780 230.7455 236.8226 224.8591 218.5048 236.3926 C5H11NO2 L-Valine Valine 16414 MEDIUM 20.98_131.9330m/z 131.9330 20.98 1098.4642 1099.0616 1211.0151 1163.5418 1232.6367 1175.0263 20.98_171.1498m/z 171.1498 20.98 440.1402 444.0798 454.4475 394.8040 442.2569 416.0646 C9H20N2O2 Propamocarb MEDIUM 20.99_199.1808m/z 199.1808 20.99 47.3706 64.7793 42.5386 10.3189 65.6075 49.1541 20.99_92.9016m/z 92.9016 20.99 305.2190 305.7508 297.2679 268.9037 293.5464 277.5414 21.00_90.9044m/z 90.9044 21.00 475.3138 466.0583 420.8176 374.3274 374.6011 387.3014 21.01_124.9277m/z 124.9277 21.01 645.5157 637.0394 655.9431 623.2506 645.3756 625.4270 21.01_265.9172m/z 265.9172 21.01 2677.6016 2518.8455 2921.2938 2599.4392 3019.8213 2631.0719 21.02_122.9303m/z 122.9303 21.02 1822.5821 1795.4552 1890.2723 1785.7937 1861.4828 1832.0089 21.02_245.8029m/z 245.8029 21.02 101.6981 104.1007 94.2824 98.7534 103.5726 105.2434 21.02_257.8352n 275.8690 21.02 5812.4045 5724.8670 5904.7764 5321.4851 5666.8285 5615.6399 21.02_259.8221m/z 259.8221 21.02 396.1697 385.0764 342.1954 369.0142 375.5649 343.0845 21.02_261.9038m/z 261.9038 21.02 11520.0067 11287.7568 11855.7484 11161.5242 11432.7786 11548.4141 21.02_267.9152m/z 267.9152 21.02 2799.5743 2811.0403 2825.3846 2695.4607 2715.7013 2751.3750 21.02_288.8474m/z 288.8474 21.02 3312.6435 3329.4066 3364.7306 3138.6534 3206.2432 3167.9227 21.03_111.9689m/z 111.9689 21.03 84.5388 80.8284 84.8892 75.5800 80.5019 82.7811 21.03_185.8954m/z 185.8954 21.03 780.7144 758.7285 759.6910 710.8865 681.6870 772.8956 21.03_187.8920m/z 187.8920 21.03 2564.6363 2548.1916 2675.5211 2551.8661 2637.7357 2699.0348 21.03_191.8375m/z 191.8375 21.03 507.1719 477.9088 464.2596 470.7311 470.5031 429.8917 21.03_222.8561m/z 222.8561 21.03 406.7556 399.8910 365.1721 370.1102 383.2128 375.8531 21.03_236.8350m/z 236.8350 21.03 1458.3943 1461.6283 1538.7749 1438.4221 1563.3457 1568.2198 21.03_247.9245m/z 247.9245 21.03 4800.3621 4707.8917 4932.8904 4594.8901 4648.6124 4821.1984 21.03_255.9058m/z 255.9058 21.03 1999.2428 1945.0317 1878.5690 1806.9846 1765.9623 1907.5773 21.03_269.9158m/z 269.9158 21.03 8957.2883 8635.4484 9148.2000 8521.9165 8894.7764 8865.0043 21.03_284.8922m/z 284.8922 21.03 8695.3487 8581.2134 8854.8585 8209.6352 8395.3289 8515.6151 21.03_298.8732m/z 298.8732 21.03 7086.4988 6937.3282 7275.8914 6771.5410 7042.7361 6955.6138 21.03_300.8717m/z 300.8717 21.03 6227.2617 6064.8141 6293.3501 5767.4453 5930.5550 6084.9408 21.03_414.8293m/z 414.8293 21.03 1630.4505 1610.0554 1789.9210 1703.7080 1755.2495 1712.7671 21.05_218.8976m/z 218.8976 21.05 4778.4626 4754.5624 5338.0046 5044.8376 5307.2742 5313.9329 21.05_254.8565m/z 254.8565 21.05 1293.1828 1212.0586 1381.7373 1246.0909 1407.8036 1319.8879 21.05_280.9410m/z 280.9410 21.05 21291.2549 20493.1423 21846.6258 20126.7703 20342.0187 20663.3138 21.05_302.8614n 320.8952 21.05 9768.6774 9552.6569 10200.2462 9114.4663 9484.2705 9563.7597 21.05_345.8648m/z 345.8648 21.05 5601.7984 5526.3920 5840.0396 5240.4677 5348.8544 5578.4815 21.05_364.8408m/z 364.8408 21.05 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417.2812 21.09 775.2735 698.7212 747.1883 682.9812 802.9670 713.3947 21.09_437.8027m/z 437.8027 21.09 2897.7161 2916.3576 3053.4404 2806.1580 2963.9961 2971.3052 21.09_439.8076m/z 439.8076 21.09 12305.4754 11953.5115 12513.5342 11709.8561 11913.6013 12062.3469 21.09_477.2565m/z 477.2565 21.09 195.6443 242.6143 255.1345 198.0089 222.1385 222.4232 21.09_607.7050m/z 607.7050 21.09 2475.8553 2256.0930 2455.5034 2212.2465 2085.6732 2380.5003 21.09_85.9459m/z 85.9459 21.09 948.1503 959.0129 1028.7287 956.2755 995.0828 1020.4778 21.09_89.9419n 90.9489 21.09 14982.0513 14469.4626 15253.1814 14120.6638 14402.5442 14333.4328 21.09_95.9745m/z 95.9745 21.09 252.5292 253.1129 260.0748 248.9319 258.8169 278.4706 21.10_145.9438n 163.9776 21.10 5214.5182 5073.0707 5553.4018 5075.0314 5281.0915 5281.4926 21.10_237.9359m/z 237.9359 21.10 15533.6330 15050.4534 15280.7707 14188.8165 15356.2612 14920.7706 21.10_268.3538m/z 268.3538 21.10 189.8328 216.6373 224.3277 193.1804 195.9967 204.8682 21.10_277.8791m/z 277.8791 21.10 8759.4554 8523.3271 8842.3832 8236.0079 8582.6761 8396.6914 21.10_299.3466m/z 299.3466 21.10 2068.2089 1893.1517 2108.4553 1903.6915 2042.6437 1983.8096 21.10_343.3182m/z 343.3182 21.10 2476.5737 2537.0537 2735.0872 2518.3391 2618.9368 2570.6624 21.10_411.7666m/z 411.7666 21.10 9321.0443 8979.8640 9399.6622 8649.4630 9436.3668 9264.1404 21.10_467.8060m/z 467.8060 21.10 7712.8812 7596.0700 7940.1398 7298.7609 7495.5248 7628.1159 21.10_512.7511n 513.8137 21.10 16350.9909 16037.6054 16643.7973 15408.3703 15868.0082 16120.3617 21.10_540.7372m/z 540.7372 21.10 2627.4352 2491.2116 2631.6839 2425.3070 2538.4889 2617.5667 21.11_118.9436m/z 118.9436 21.11 3855.0088 3785.3227 3988.7204 3717.9983 3950.2462 3879.3246 21.11_177.9672m/z 177.9672 21.11 1953.0375 1886.6274 1879.7685 1755.8896 1831.4439 1814.4684 21.11_327.3072n 328.3145 21.11 3785.5144 3855.6536 3986.3463 3684.8025 3859.5726 3995.8071 21.12_159.9584m/z 159.9584 21.12 4612.1756 4286.2101 4367.5369 3948.9095 4179.8129 3965.2270 21.12_266.8983m/z 266.8983 21.12 3679.8633 3654.7047 3612.4891 3306.3833 3370.5556 3446.2323 21.12_570.7170m/z 570.7170 21.12 2246.8615 2153.7164 2274.1403 2059.4142 2096.0125 2139.2341 21.17_398.8015m/z 398.8015 21.17 2159.8352 1966.3108 1985.7738 1798.8159 1889.4931 1843.6225 21.18_112.9718m/z 112.9718 21.18 746.0816 686.2696 709.8691 706.3158 743.5186 685.4722 21.19_157.0145m/z 157.0145 21.19 2550.1820 2544.3698 2634.1394 2503.9124 2547.5058 2512.3441 21.19_157.0257n 141.0031 21.19 8449.9130 8497.2859 8921.0116 8347.0068 8747.5956 8805.7358 21.19_159.0141m/z 159.0141 21.19 16225.3770 15881.9612 16812.3320 15604.5393 16208.1465 16171.2487 21.19_173.0270m/z 173.0270 21.19 1265.3222 1341.4171 1517.8913 1388.3816 1321.0321 1431.5053 21.21_140.0055m/z 140.0055 21.21 514.4988 510.3171 503.6854 482.5400 498.0605 514.5762 21.25_265.9238m/z 265.9238 21.25 4632.6065 4452.3986 4384.6789 4130.8485 4197.2078 4197.2978 21.33_154.9847m/z 154.9847 21.33 703.8079 682.8323 780.5693 679.0076 750.4992 743.7044 H4MnNO4 Ammonium permanganate MEDIUM 21.36_196.9234m/z 196.9234 21.36 4224.4832 4180.2004 4308.5074 4039.9844 4135.1526 4097.5567 21.98_136.9320m/z 136.9320 21.98 954.2896 925.9567 940.1331 869.9409 888.2165 877.1190 3.00_110.0610m/z 110.0610 3.00 223.0426 230.5593 211.5691 195.9258 208.3508 202.7761 C6H9NO2 Nitro-methylene-cyclopentane MEDIUM 3.00_152.0717m/z 152.0717 3.00 1681.7367 1865.1812 1850.7977 1736.0964 1803.0930 1771.6619 C8H11NO3 Norepinephrine Xi-Norepinephrine 18357 HIGH 3.00_173.0796m/z 173.0796 3.00 1624.5035 1634.3911 1758.0654 1351.4565 1555.7241 1900.8586 3.00_189.0443m/z 189.0443 3.00 284.2621 272.3172 310.5404 251.8069 272.1041 329.1631 C8H10N2S Ethionamide HMDB14747 MEDIUM 3.00_303.4738m/z 303.4738 3.00 104.7682 117.8112 86.6378 76.3786 94.4695 105.4664 3.00_327.0973n 350.0868 3.00 2098.5763 2320.6144 2225.5439 2085.0752 2078.6637 2106.9260 3.00_366.0522m/z 366.0522 3.00 1385.8430 1509.8424 1451.2229 1525.5564 1452.2323 1478.1746 3.00_412.0577m/z 412.0577 3.00 269.2843 282.4490 249.8390 236.4376 245.4405 247.4364 3.01_252.0544n 235.0511 3.01 877.4419 929.9416 851.4657 716.4857 797.0405 907.0769 3.01_382.0241m/z 382.0241 3.01 145.3529 166.7301 138.2461 148.6859 143.6735 144.3936 3.03_345.6665m/z 345.6665 3.03 632.8612 613.3104 552.1544 531.4997 558.5079 618.6810 3.06_234.1347m/z 234.1347 3.06 24.2141 16.9752 25.0120 20.6567 13.9823 24.2103 C15H22O3 Trichodermol MEDIUM 3.06_346.1608m/z 346.1608 3.06 2143.6562 2180.5626 2149.3758 2266.9499 2143.3659 2175.0751 3.06_346.4943m/z 346.4943 3.06 1024.5211 1050.9233 999.7764 1006.1109 975.6316 1077.7098 3.06_346.8288m/z 346.8288 3.06 281.0637 311.5056 344.9744 303.2138 328.9895 314.3894 3.09_279.1004m/z 279.1004 3.09 527.6229 485.5657 507.2681 494.5639 467.6213 486.5791 3.09_665.8229m/z 665.8229 3.09 2738.0985 3074.9181 2886.4831 2483.2762 2966.6836 3220.1577 3.11_529.7441m/z 529.7441 3.11 518.6938 536.0266 488.8991 501.3518 452.3664 603.9520 3.11_530.2462m/z 530.2462 3.11 278.6792 245.9953 264.1639 255.3013 255.0963 261.6492 3.11_532.8603m/z 532.8603 3.11 657.5462 1166.6863 1515.3718 1488.9232 1905.7321 2232.2830 3.11_665.5739m/z 665.5739 3.11 285.2944 495.9352 795.6180 759.6758 949.4550 1253.0422 3.12_452.1789m/z 452.1789 3.12 264.8369 256.6836 233.7287 277.2584 239.5955 264.0034 3.12_452.5119m/z 452.5119 3.12 150.9298 166.4860 159.1038 154.4340 168.1301 125.6891 3.12_666.0737m/z 666.0737 3.12 1601.7222 1884.5637 1796.1224 1694.5796 1922.9326 2140.2154 3.13_533.0606m/z 533.0606 3.13 367.0808 809.5265 1042.7953 1075.7507 1213.7803 1502.6896 3.14_319.6777m/z 319.6777 3.14 184.4437 137.2692 109.2242 140.1432 145.2226 156.1062 3.15_532.6601m/z 532.6601 3.15 481.9946 840.8539 1108.8177 1129.4084 1264.2885 1623.6905 3.16_224.0921n 247.1302 3.16 1968.5490 1979.3692 1934.7384 1857.2671 1917.9221 1925.1917 3.17_296.1363m/z 296.1363 3.17 336.0883 345.5987 345.8349 297.1192 354.0000 337.7320 3.17_427.2322m/z 427.2322 3.17 1218.5005 1169.7144 1109.6429 1114.4636 1210.6030 1183.8053 3.19_107.0496m/z 107.0496 3.19 362.7323 334.4796 370.5410 354.1174 366.2428 354.8791 C7H8O2 Guaiacol 28591 HIGH 3.19_119.0776n 120.0815 3.19 65399.7544 64808.3960 64737.7924 63303.5535 65010.4314 65019.9960 3.19_122.0881m/z 122.0881 3.19 281.7382 301.1860 309.9381 295.3891 312.4517 272.6587 3.19_134.0902n 135.0813 3.19 3386.7541 3244.4642 3190.8728 3090.4028 3203.5130 3068.6158 3.19_148.0535n 166.0870 3.19 21261.5475 20611.4376 20555.7351 19857.5387 20627.3957 20443.0445 C9H8O2 trans-Cinnamic acid Trans-Cinnamic acid HMDB00930 HIGH 3.19_175.0099m/z 175.0099 3.19 309.6733 322.5732 337.5832 320.0517 329.1689 310.2272 3.19_187.0621n 188.0694 3.19 1844.1707 1755.2892 1760.0104 1777.5092 1769.7034 1822.2797 3.19_221.0377n 204.0344 3.19 553.7186 554.1726 550.1767 553.4999 579.8706 572.6529 C10H8ClN3O Chloridazon HIGH 3.19_250.0404m/z 250.0404 3.19 903.8410 923.4783 925.0996 883.4998 964.7762 914.4551 3.19_368.1070n 369.1143 3.19 1972.4619 1956.5994 1920.0785 1959.3468 1978.0568 1942.6017 3.19_385.0857m/z 385.0857 3.19 208.2315 162.8453 145.9743 148.0851 171.1530 168.9965 3.19_511.0901m/z 511.0901 3.19 410.7592 486.0321 447.5059 400.7939 358.1872 441.4022 3.19_533.1867n 534.1939 3.19 1778.8972 1833.4414 1763.1436 1826.2035 1763.4512 1862.5662 3.19_571.1340n 572.1412 3.19 1199.5386 1163.6385 1132.8839 1109.9458 1184.2671 1114.9528 3.19_578.1563m/z 578.1563 3.19 543.2963 506.6318 502.4320 546.5217 562.9580 557.4565 3.19_759.2026m/z 759.2026 3.19 772.8704 737.4788 781.9334 759.1640 717.3731 773.6718 3.19_77.0402m/z 77.0402 3.19 269.4208 282.4088 263.0494 239.5833 236.5255 250.8516 3.19_775.1719m/z 775.1719 3.19 340.4367 343.9785 313.9729 319.0484 305.7511 323.1284 3.19_91.0554m/z 91.0554 3.19 280.2711 272.9316 297.9605 275.7306 273.0598 278.4307 3.19_93.0710m/z 93.0710 3.19 759.8474 812.6715 783.3513 758.7821 821.3254 811.3365 3.20_109.0660m/z 109.0660 3.20 149.6712 155.0255 134.4613 121.3882 153.5406 143.4701 3.21_466.2312m/z 466.2312 3.21 391.3831 379.8030 322.1087 286.4656 348.4271 357.9367 3.22_342.1580m/z 342.1580 3.22 987.1966 954.2271 1000.5853 982.4854 1016.4927 976.8621 C21H26O5 Prednisone Prednisone 8382 MEDIUM 3.24_344.7229m/z 344.7229 3.24 337.4803 378.3848 414.0006 339.4912 371.5193 378.8868 3.24_345.2237m/z 345.2237 3.24 125.0691 150.0643 155.8929 131.6054 138.3043 134.9989 3.26_219.1349m/z 219.1349 3.26 242.9536 251.3401 230.2137 235.6705 228.4731 231.4236 3.27_257.1036m/z 257.1036 3.27 181.5982 201.9808 215.0481 242.1289 216.9716 212.0353 3.27_269.9753m/z 269.9753 3.27 610.7454 597.7686 640.3971 638.1226 669.8692 638.5210 3.27_475.2521m/z 475.2521 3.27 909.3346 871.9044 906.5785 847.3945 912.7933 920.9686 3.28_347.6869m/z 347.6869 3.28 526.7268 504.5513 485.8361 526.9630 523.4422 501.4524 3.30_361.6645m/z 361.6645 3.30 662.7378 696.7230 643.3905 722.2335 651.9725 678.2186 3.30_362.1663m/z 362.1663 3.30 224.2796 210.3325 220.7190 214.6720 224.4925 247.9874 3.30_369.6474m/z 369.6474 3.30 663.8363 669.7555 648.2965 629.6132 663.3953 620.8148 3.30_370.1486m/z 370.1486 3.30 201.6204 224.4313 226.6157 196.7695 241.8750 221.3732 3.30_539.9974m/z 539.9974 3.30 428.5190 473.4061 448.0689 426.1152 447.8649 519.3882 3.30_540.2486m/z 540.2486 3.30 443.9065 516.1373 410.8885 410.2152 481.5913 500.7382 3.30_540.4975m/z 540.4975 3.30 263.8228 320.5883 357.6816 293.1659 277.7812 260.4891 3.30_700.3391m/z 700.3391 3.30 977.9654 978.2396 938.2432 886.1946 873.9359 877.3298 3.31_100.0765m/z 100.0765 3.31 379.2951 424.7917 385.0685 350.4086 369.9439 445.7683 C5H9NO 2-Piperidinone 2-Piperidinone HMDB11749 MEDIUM 3.31_201.0320n 184.0287 3.31 656.2392 731.2219 735.9581 723.7195 790.8395 770.6940 3.32_240.1026m/z 240.1026 3.32 397.7145 403.2908 390.4484 350.6015 364.5592 378.8424 C15H10O2 Flavone Flavone 42491 MEDIUM 3.32_514.8715m/z 514.8715 3.32 331.9759 299.0976 298.0692 298.5185 300.7499 322.7854 3.32_515.2055m/z 515.2055 3.32 177.8952 190.4360 198.2505 165.2851 192.0665 177.7757 3.35_167.0573m/z 167.0573 3.35 613.1926 631.3607 596.0094 627.0411 617.4304 649.9664 C6H6N4O2 7-Methylxanthine 7-Methylxanthine HMDB01991 MEDIUM 3.36_507.9739m/z 507.9739 3.36 210.0790 268.6713 274.1376 226.7067 282.4001 241.0323 3.36_508.2251m/z 508.2251 3.36 210.3296 207.3292 201.3663 203.1018 227.3733 204.3270 3.37_333.1457m/z 333.1457 3.37 261.9592 250.7551 266.7656 258.9484 299.7575 311.1488 C22H23NO3 Fenpropathrin Fenpropathrin 39353 MEDIUM 3.38_271.0761m/z 271.0761 3.38 244.7716 234.6165 213.8400 192.2085 181.1361 185.3591 3.40_176.1059m/z 176.1059 3.40 319.6706 324.0923 324.6856 330.0563 337.5045 325.7790 3.40_224.6145m/z 224.6145 3.40 391.5422 402.7909 403.5301 389.7963 387.0946 417.2429 3.40_233.6196m/z 233.6196 3.40 1631.4710 1538.2266 1526.7848 1558.6788 1667.1356 1707.3279 3.40_244.0799m/z 244.0799 3.40 456.3112 396.9320 421.7999 419.7597 376.4927 457.0238 3.40_251.1248n 234.1215 3.40 711.0945 688.8410 698.5959 692.8919 712.9656 773.8425 3.40_252.5933m/z 252.5933 3.40 418.8362 423.8503 449.0609 434.8067 450.5940 436.5139 3.40_253.0945m/z 253.0945 3.40 118.9488 127.6836 97.8175 114.6687 108.9715 140.7289 3.40_294.1824m/z 294.1824 3.40 678.0060 670.5545 701.2843 670.9028 691.3493 763.9889 C18H25NO Dextromethorphan Dextromethorphan 4470 MEDIUM 3.40_351.2042m/z 351.2042 3.40 2602.1376 2513.5872 2611.7706 2559.0802 2534.4276 2796.5605 C22H28N2O3 Methoxyfenozide 38449 MEDIUM 3.40_466.2312m/z 466.2312 3.40 2144.7443 2026.1880 1881.0676 1857.9000 1844.5197 1943.3455 3.41_232.1553m/z 232.1553 3.41 1746.3679 1772.6875 1910.7292 1800.0960 1738.0469 1886.7214 3.42_290.1607m/z 290.1607 3.42 195.0056 177.6321 166.9730 194.5282 180.3961 194.4027 3.44_314.5233m/z 314.5233 3.44 249.6009 267.0297 244.9750 271.0695 284.6770 287.3447 3.44_314.8578m/z 314.8578 3.44 167.1324 160.4480 133.9050 126.9454 152.1686 153.5458 3.47_295.1260m/z 295.1260 3.47 341.6424 334.7479 373.8777 321.7348 323.6683 328.6965 3.48_211.1083m/z 211.1083 3.48 453.4642 422.6104 415.1643 399.9977 421.5644 443.9156 3.49_169.0977m/z 169.0977 3.49 464.4933 479.9368 532.7038 490.1291 507.9728 477.0290 C8H12N2O2 Hexamethylene diisocyanate 53578 MEDIUM 3.49_527.7480m/z 527.7480 3.49 126.7624 131.9384 112.8026 130.6367 109.5443 137.1740 3.49_570.7691m/z 570.7691 3.49 463.6198 375.6776 383.7465 371.7559 353.5749 348.0423 3.50_527.4976m/z 527.4976 3.50 129.1353 100.7380 90.7426 93.0972 112.0290 77.6247 3.52_232.1552m/z 232.1552 3.52 1199.9121 1282.5193 1281.7688 1298.3501 1262.2760 1136.9446 3.52_295.4656m/z 295.4656 3.52 188.4491 220.8791 216.2682 218.8221 212.9870 202.8992 3.52_414.7158m/z 414.7158 3.52 522.0352 526.4574 550.5212 529.2763 517.0950 534.8576 3.52_415.2127m/z 415.2127 3.52 311.0905 330.1041 372.1860 345.8555 330.0675 307.5825 3.52_423.7214m/z 423.7214 3.52 1346.1695 1373.3379 1413.5526 1395.3725 1317.0215 1403.2338 3.52_424.2226m/z 424.2226 3.52 528.0097 554.6673 537.4829 527.3202 495.4565 521.5380 3.52_442.6950m/z 442.6950 3.52 360.5125 359.2904 341.3541 374.7949 346.8945 382.6461 3.52_443.1962m/z 443.1962 3.52 164.1311 168.1709 170.6206 156.9177 138.7247 163.3413 3.53_624.9306m/z 624.9306 3.53 100.6122 125.1744 126.2532 111.2337 85.4832 95.2767 3.53_625.2631m/z 625.2631 3.53 110.0171 111.7684 101.7512 111.1141 73.0479 84.3450 3.54_327.1335n 310.1302 3.54 1891.0358 1708.1381 1859.7038 1629.0621 1337.4939 922.8202 3.59_284.8230m/z 284.8230 3.59 145.7655 163.1097 137.0407 187.6687 188.0301 156.2051 3.59_285.1555m/z 285.1555 3.59 57.3039 65.4941 69.9732 54.1457 75.1349 72.2381 3.59_341.6764m/z 341.6764 3.59 449.5627 490.8176 468.4054 495.8791 515.9949 502.3517 3.59_342.1772m/z 342.1772 3.59 172.9152 181.6568 187.8747 191.9828 164.2591 157.6055 3.59_426.7295m/z 426.7295 3.59 186.6491 211.7335 161.8426 165.9351 190.5630 195.1895 3.59_427.2312m/z 427.2312 3.59 105.0393 75.4536 64.8249 87.9485 72.4138 99.0218 3.63_282.1211m/z 282.1211 3.63 333.6479 357.1253 321.6583 322.6235 311.6038 314.1682 3.63_398.1930m/z 398.1930 3.63 303.5191 333.3709 268.6098 332.1545 294.6755 294.7625 3.63_408.7159m/z 408.7159 3.63 317.9498 283.6565 251.8695 303.0466 258.0977 298.4962 3.67_135.5835m/z 135.5835 3.67 168.2091 162.7321 179.2504 180.0831 181.4220 191.6949 3.67_136.0859m/z 136.0859 3.67 96.7802 100.8972 123.9584 101.2491 109.8517 103.7061 3.67_142.0995m/z 142.0995 3.67 120.1161 113.3141 117.6292 125.3439 140.8384 115.5031 3.67_155.1073m/z 155.1073 3.67 144.2148 152.6280 154.3979 152.3227 162.6236 163.3080 3.67_172.6125n 156.5892 3.67 219.9093 203.7719 246.0756 260.4302 241.8645 244.0388 3.67_174.0204n 175.0240 3.67 774.8418 811.9161 802.2254 754.8179 789.8124 797.2694 3.67_201.1126m/z 201.1126 3.67 222.3532 289.9703 249.7292 294.7015 306.1387 253.4232 3.67_201.6154m/z 201.6154 3.67 120.5643 133.6952 116.5467 141.1378 146.8843 115.3648 3.67_203.0228m/z 203.0228 3.67 357.3747 345.4632 319.0683 316.5527 316.4948 324.0658 3.67_270.1591m/z 270.1591 3.67 147.5328 156.8546 166.5854 160.5493 117.6504 152.2751 C16H21N3O2 Zolmitriptan 10124 MEDIUM 3.67_312.1702m/z 312.1702 3.67 393.7301 404.0792 415.7786 431.9609 427.2799 375.7062 3.67_419.2509m/z 419.2509 3.67 2064.2743 1900.9868 1899.1967 1967.0455 1921.5173 1907.6669 3.68_128.0454m/z 128.0454 3.68 98.3565 114.3134 110.3062 109.4348 130.0353 114.8898 3.68_172.0726m/z 172.0726 3.68 274.6267 305.2878 318.9524 297.7665 325.0854 322.4757 C4H11O4P Diethylphosphate Diethylphosphate 38598 MEDIUM 3.69_237.1587m/z 237.1587 3.69 798.3402 819.9452 854.3256 848.8974 897.8300 868.1403 3.69_237.6601m/z 237.6601 3.69 203.8803 187.0673 194.3088 177.1051 193.9504 195.2308 3.69_359.2217n 360.2258 3.69 1895.0020 1941.6976 2020.7221 1898.4566 2054.1860 2069.8800 3.69_473.3090m/z 473.3090 3.69 892.8049 845.8895 809.3376 787.2904 807.7110 797.0819 3.69_86.0976m/z 86.0976 3.69 225.5718 237.9665 233.7342 233.3080 255.4230 243.2470 3.74_110.0610m/z 110.0610 3.74 363.5372 352.7007 352.9715 321.3050 346.3207 332.2855 C6H9NO2 Nitro-methylene-cyclopentane MEDIUM 3.74_151.0641n 152.0714 3.74 2750.6273 2867.2699 2826.2592 2774.5463 2794.3574 2924.7391 C8H9NO2 Acetaminophen Acetaminophen 2386 MEDIUM 3.74_236.0241m/z 236.0241 3.74 763.7612 754.9674 806.8900 769.7055 721.3994 741.9076 C8H10N2NaO4S+ "Asulam, sodium salt" MEDIUM 3.79_355.7026m/z 355.7026 3.79 2854.7110 2664.6836 2682.6988 2815.5569 2965.0372 2599.9518 3.79_356.2039m/z 356.2039 3.79 996.2825 982.5413 942.8358 931.8500 1023.6642 926.4742 3.79_451.7525m/z 451.7525 3.79 478.5654 410.5336 412.8243 450.7716 463.3731 383.5610 3.80_353.8586m/z 353.8586 3.80 304.6460 283.2579 311.9349 271.5117 362.6132 340.7588 3.81_446.6880m/z 446.6880 3.81 1026.6887 994.3384 1014.3033 1074.7920 1124.6193 1018.5131 3.81_447.1886m/z 447.1886 3.81 422.2736 405.6480 459.1085 464.1833 511.0941 440.8235 3.81_462.1534m/z 462.1534 3.81 266.7817 265.0665 269.5548 276.2316 302.8273 220.5404 3.81_530.2827m/z 530.2827 3.81 289.3973 352.5710 293.3448 319.3713 289.3736 323.3467 3.81_530.7842m/z 530.7842 3.81 144.5277 159.0125 148.2689 155.1153 160.8745 128.2694 3.81_870.3872m/z 870.3872 3.81 829.0423 781.8367 734.7530 682.1160 672.1212 685.6316 3.82_173.0556m/z 173.0556 3.82 246.3581 250.4459 287.2788 260.3259 296.2210 260.3627 C6H5NO4 4-Nitrocatechol 4-Nitrocatechol HMDB02916 HIGH 3.82_303.4500m/z 303.4500 3.82 1630.2831 1572.6028 1636.6178 1679.2598 1699.0817 1785.5390 3.82_303.7845m/z 303.7845 3.82 666.9085 599.0994 705.5358 627.6992 747.8876 735.1812 3.82_304.1180m/z 304.1180 3.82 216.7454 229.9578 203.0719 213.4231 208.5175 224.4400 3.82_425.6839n 426.6920 3.82 3490.9976 3262.1681 3360.0319 3538.6000 3621.4457 3631.0886 3.82_427.1936m/z 427.1936 3.82 1357.0490 1236.7755 1367.4946 1373.1964 1425.7836 1377.9339 3.82_434.6896n 435.6978 3.82 8552.4777 8099.8760 8136.4936 8281.4128 8673.9321 8591.9087 3.82_436.1994m/z 436.1994 3.82 3347.4366 3174.4740 3205.6784 3252.1464 3357.3265 3272.0471 3.82_454.6714m/z 454.6714 3.82 2418.0607 2289.1498 2289.8902 2395.3161 2414.7623 2360.4130 3.82_455.1727m/z 455.1727 3.82 956.6478 973.5577 908.9036 903.1187 974.8767 940.1081 3.82_462.6563m/z 462.6563 3.82 248.1287 269.2173 255.7802 258.8214 295.5296 277.1100 3.82_510.2577m/z 510.2577 3.82 632.8005 617.8076 675.1720 683.6824 655.1788 649.9761 3.82_698.3376m/z 698.3376 3.82 1633.1773 1545.1405 1520.4938 1565.4510 1461.2594 1558.1212 3.84_359.1945m/z 359.1945 3.84 483.6331 441.4784 488.3812 469.3823 481.2060 455.1782 3.85_136.0860m/z 136.0860 3.85 71.6649 66.7191 61.5404 74.7674 75.4348 47.8491 3.85_201.6165m/z 201.6165 3.85 86.4794 87.2724 100.2699 86.7546 81.3075 78.0577 3.85_336.8634m/z 336.8634 3.85 157.4700 143.3064 166.4265 146.4346 146.7755 178.7418 3.85_359.5251m/z 359.5251 3.85 161.9972 123.9103 118.1338 145.8088 117.6534 113.1747 3.85_393.2320m/z 393.2320 3.85 1134.8024 1105.9943 1132.1461 1154.0289 1138.6317 1172.5253 3.85_419.2514m/z 419.2514 3.85 1003.8641 924.3834 972.5814 1035.6695 980.7452 964.4301 3.85_629.2708m/z 629.2708 3.85 1304.4258 1131.7440 1229.6235 1192.3392 1122.4073 1176.2583 C37H40O9 Resiniferatoxin MEDIUM 3.86_393.7331m/z 393.7331 3.86 418.9110 393.8389 387.0863 393.0388 399.7201 368.3861 3.87_230.9646m/z 230.9647 3.87 401.1378 362.2139 366.1043 372.2013 380.1083 362.4714 3.87_406.1798n 407.1878 3.87 1039.3930 1039.5163 1048.2826 985.7713 1081.4181 1106.1087 3.87_406.6805n 407.6893 3.87 359.9861 348.6470 384.5927 354.0172 380.6580 387.8533 3.87_426.1616m/z 426.1616 3.87 292.1109 287.3340 306.0669 289.3063 311.3273 309.6457 3.88_332.4614m/z 332.4614 3.88 250.2141 204.5080 246.5740 250.6311 217.9072 272.0464 3.88_479.2149m/z 479.2149 3.88 1809.0916 1836.5454 1921.7302 1923.9385 1969.3272 1989.7080 3.88_479.7168m/z 479.7168 3.88 764.1124 785.8468 838.6987 803.9789 779.0971 775.6064 3.88_498.1882m/z 498.1882 3.88 480.5593 414.2204 492.6627 476.3142 516.5959 499.6502 3.88_498.6893m/z 498.6893 3.88 187.0111 180.1245 188.8692 190.7385 189.0446 198.2188 3.89_219.1105n 220.1178 3.89 511.5291 513.2063 529.2719 521.6246 486.1345 513.6787 C9H17NO5 Pantothenic acid Pantothenic acid HMDB00210 MEDIUM 3.89_301.1910n 302.1982 3.89 3938.3030 3992.2373 3920.7109 4117.4487 3951.3480 4295.1296 3.91_413.7033m/z 413.7033 3.91 365.6238 399.3641 417.2280 395.1382 429.0757 388.7896 3.92_362.5422m/z 362.5422 3.92 295.2726 271.1572 293.9473 326.8794 367.9321 366.6203 3.92_362.8764m/z 362.8764 3.92 174.9623 163.9702 225.1420 178.6715 205.0507 199.2700 3.92_669.3040m/z 669.3040 3.92 721.6063 778.5241 917.6260 726.9677 895.2587 902.7458 3.93_535.2437m/z 535.2437 3.93 518.0502 584.1289 694.8703 623.7716 710.2842 725.5144 3.93_535.4437m/z 535.4437 3.93 718.3385 867.6243 783.9743 741.5711 803.7167 846.1511 3.93_535.6445m/z 535.6445 3.93 564.8922 646.7860 611.9787 532.4688 603.3498 630.7800 3.93_669.0539m/z 669.0539 3.93 1012.1829 998.7812 1138.9483 973.6429 1112.2977 1106.4418 3.94_668.8036m/z 668.8036 3.94 916.2633 850.9580 1028.0860 1024.2016 1126.1194 1170.2902 3.94_669.5537m/z 669.5537 3.94 432.8967 397.5490 476.2220 392.6152 403.4836 451.5050 3.95_231.0850m/z 231.0850 3.95 470.1274 310.6438 389.0748 255.6843 309.3654 436.6330 C10H17NO6 Linamarin Linamarin 16441 MEDIUM 3.95_306.1286m/z 306.1286 3.95 1737.6188 1887.4206 1922.0010 1910.8022 1861.8903 1996.5627 3.95_306.6300m/z 306.6300 3.95 519.2296 474.7423 483.2489 503.0424 471.0882 505.9996 3.95_373.4577m/z 373.4577 3.95 59.8067 90.1196 35.6231 53.6325 106.7002 105.6781 3.95_573.3019m/z 573.3019 3.95 4736.6796 4699.6067 4542.1863 4578.1128 4530.5215 4685.3149 3.96_231.1715m/z 231.1715 3.96 1281.5241 1209.8900 1178.4083 1188.7966 1227.5772 1248.0029 3.96_317.6947m/z 317.6947 3.96 986.6498 963.6951 997.9221 1024.7053 983.8994 998.8433 3.96_318.1954m/z 318.1954 3.96 341.5749 322.1048 399.4085 361.6349 360.5988 379.8944 3.96_86.0977m/z 86.0977 3.96 280.9280 285.4581 266.3701 249.3829 269.6597 287.3256 3.97_157.0845m/z 157.0845 3.97 586.2728 613.1251 689.7724 601.7704 686.3446 662.4742 C6H14O3 "Polypropylene glycol (m w 1,200-3,000)" 53262 MEDIUM 3.97_312.1856m/z 312.1856 3.97 163.0799 146.3449 149.6600 180.0444 131.8264 138.4978 3.97_415.9127m/z 415.9127 3.97 970.8327 865.1435 902.9034 921.9016 999.7005 976.3430 3.97_416.2441m/z 416.2441 3.97 699.7214 682.4480 788.1052 763.8235 766.4018 773.1088 3.97_416.5807m/z 416.5807 3.97 193.8091 176.3445 224.2870 202.0865 212.0807 187.8875 3.98_219.0549m/z 219.0549 3.98 1123.1305 1173.9141 1312.9571 1197.1124 1319.4043 1279.9835 3.99_245.0790m/z 245.0790 3.99 284.2892 296.3868 368.1278 351.5770 357.1302 406.6319 3.99_343.7158m/z 343.7158 3.99 331.6077 328.3813 324.1581 330.3500 328.9857 347.6662 4.01_181.0729m/z 181.0729 4.01 6505.2617 6849.9272 6788.7342 6569.8771 6727.4924 7044.7237 C7H8N4O2 Theophylline Theophylline 28177 HIGH 4.01_282.0293n 265.0260 4.01 1202.4747 1182.1781 1380.5748 1253.0779 1286.6351 1339.1464 4.01_302.0213m/z 302.0213 4.01 582.2561 554.7979 550.2156 417.1489 417.5412 521.0295 4.02_217.1054m/z 217.1054 4.02 1371.8795 1176.5442 1550.9819 1166.1330 1182.7704 1483.0815 C8H18O5 Tetraethylene Glycol Tetraethylene glycol 44920 MEDIUM 4.02_279.0894m/z 279.0894 4.02 943.7198 901.9793 971.0002 853.6893 886.9851 894.6493 4.03_210.1290m/z 210.1290 4.03 29884.8905 27309.7467 28492.9967 26764.1381 27638.5290 27829.4466 4.03_528.2515m/z 528.2515 4.03 814.5789 816.4421 755.7345 754.1663 800.1011 838.9965 4.03_555.1370m/z 555.1370 4.03 1819.1994 1713.0045 1916.7947 1537.5064 1523.0463 1728.4931 4.03_561.7595m/z 561.7595 4.03 563.8089 479.0374 527.5278 476.9666 495.1375 529.3954 4.03_764.2559m/z 764.2559 4.03 4046.6758 3756.8296 3946.4891 3253.4766 3301.1946 3816.0120 4.03_770.8802m/z 770.8802 4.03 676.9369 612.2028 701.2896 661.6976 632.6916 640.2439 4.03_771.3818m/z 771.3818 4.03 459.6385 344.9428 374.8858 360.5615 379.8156 394.9970 4.04_192.4774m/z 192.4774 4.04 7856.6467 7040.2304 7399.7206 6880.1139 7099.0208 7023.0720 4.04_208.1191n 192.0965 4.04 1060704.1440 1031816.5830 1077990.0720 1039833.3210 1080166.7310 1095862.7720 C11H16N2O2 Pilocarpine Pilocarpine 39462 HIGH 4.04_457.1981m/z 457.1981 4.04 10995.6515 10065.3867 10633.9997 9825.2023 10276.4827 10354.0207 4.04_481.1637m/z 481.1637 4.04 1687.5321 1610.3124 1728.7901 1569.1063 1661.0508 1637.6106 4.04_542.7870m/z 542.7870 4.04 1324.9784 1093.9310 1150.0337 1108.3216 1212.5277 1233.1504 4.04_543.2885m/z 543.2885 4.04 692.1460 567.3575 594.9759 602.6343 645.8048 654.6050 4.04_629.3103n 652.3318 4.04 3562.6015 3194.3909 3377.8867 3149.0741 3186.1274 3310.5516 4.04_646.8419n 647.8492 4.04 1476.3887 1270.0051 1374.4468 1208.8434 1286.4529 1278.1463 4.04_650.3380m/z 650.3380 4.04 2077.1037 1893.8932 2102.0807 1883.6967 2033.4226 2014.5589 4.04_666.3206m/z 666.3206 4.04 19717.3826 18114.7276 19479.1162 18365.2165 19274.7275 19195.1136 4.04_875.4429m/z 875.4429 4.04 2242.8838 1963.7807 2093.5789 1955.7953 1994.9211 1975.6459 4.04_890.4078m/z 890.4078 4.04 5024.6896 4439.1191 4770.0544 4823.1160 5089.1223 4524.2459 4.06_117.0646m/z 117.0646 4.06 4643.0678 4492.4831 4689.0681 4431.3332 4518.0484 4513.9745 4.06_122.0904m/z 122.0904 4.06 95389.1787 91993.3736 95003.0730 91881.1465 95101.9427 94548.5472 4.06_122.1804m/z 122.1804 4.06 326.5699 267.3992 244.7601 183.8639 198.7525 73.0390 4.06_124.1002m/z 124.1002 4.06 2596.6643 2407.2621 2576.4478 2427.9169 2500.9717 2388.1850 4.06_148.1426m/z 148.1426 4.06 1112.7738 982.8192 1097.5557 901.3150 861.7952 970.6629 4.06_148.2052m/z 148.2052 4.06 2013.6932 1834.0748 1875.6528 1593.1111 1654.6566 1143.0537 4.06_149.0788n 150.0861 4.06 330811.0206 321524.3914 333966.8163 323127.1349 335327.4682 336851.1948 4.06_149.1784m/z 149.1784 4.06 326.7327 298.1071 231.8317 226.9518 145.0422 81.1059 4.06_150.1199m/z 150.1199 4.06 6359.8444 6060.0250 6357.0214 6163.7161 6086.9688 6107.7488 4.06_150.1856m/z 150.1856 4.06 6234.2818 5622.7363 5830.1516 5407.0099 5579.0786 5049.8275 4.06_150.2192m/z 150.2192 4.06 839.9767 696.2284 717.5170 653.6925 697.8054 413.6924 4.06_150.4192m/z 150.4192 4.06 349.1344 235.0774 237.3745 190.5258 165.3631 136.2933 4.06_152.0948m/z 152.0948 4.06 10246.3048 10024.7134 10363.6343 9950.7930 10272.0907 10310.7495 4.06_153.1097n 136.1064 4.06 26958.0901 25801.2276 26612.1930 25394.1529 26235.0829 26168.6674 4.06_173.0796m/z 173.0796 4.06 87361.0823 84942.7158 87192.2769 84196.1765 87828.5915 87062.9870 4.06_192.2473m/z 192.2473 4.06 12137.9362 10998.4184 12269.9654 11934.2550 12697.2019 10489.3106 4.06_192.2855m/z 192.2855 4.06 9052.7481 8530.4251 9330.1387 8250.9062 7577.9342 4974.3398 4.06_419.2520m/z 419.2520 4.06 3382.0736 2854.5348 3004.2467 2877.5457 2935.4991 2838.0281 4.06_569.7448m/z 569.7448 4.06 521.9190 414.0236 468.5166 423.1866 474.9592 444.7516 4.06_689.3357n 672.3324 4.06 10516.9302 9452.9236 9846.5545 9301.5540 9959.2466 9612.3857 4.06_697.3078n 681.2852 4.06 8913.2663 7997.6820 8583.8044 8078.9744 8694.0578 8160.0977 4.06_704.2673m/z 704.2673 4.06 3891.7518 3237.6517 3480.6809 3338.7340 3643.8846 3529.5119 4.06_778.8657m/z 778.8657 4.06 410.5047 345.9276 337.5511 377.1086 441.0021 393.3165 4.06_861.4541m/z 861.4541 4.06 2506.8704 2190.7736 2428.9243 2185.3461 2321.7561 2285.9669 4.06_94.0739m/z 94.0739 4.06 2829.0932 2758.4338 2803.1922 2737.8619 2767.0258 2765.0810 4.07_120.0785m/z 120.0785 4.07 10108.1829 9705.7987 10198.6440 9669.2891 9978.3082 9899.3804 C8H12N2 Tetramethylsuccinonitrile MEDIUM 4.07_121.0842m/z 121.0842 4.07 29669.1371 28620.9844 29489.9264 28392.7497 29525.2103 29361.0280 4.07_135.0987m/z 135.0987 4.07 7358.0233 6892.1853 7249.2261 6795.8773 7021.0130 7047.2225 4.07_145.0887n 163.1165 4.07 51797.0546 50043.7519 51962.3334 49733.3234 51444.3814 51172.5226 4.07_164.1368n 148.1057 4.07 162279.3166 156946.6891 161223.0531 157936.0059 163611.5371 162627.4630 4.07_191.4670m/z 191.4670 4.07 455.2009 311.3428 278.9364 207.6266 153.2111 142.0579 4.07_194.1111n 195.1075 4.07 5896.4792 5597.1053 5819.9456 5542.4702 5708.1459 5523.6564 4.07_208.2439n 192.2104 4.07 34755.3502 32324.3102 33851.9519 32046.5878 33300.5562 31130.7469 4.08_179.1137n 162.1104 4.08 5353.9326 5107.4088 5338.3392 5053.7964 5207.2176 5128.7845 4.08_191.2026m/z 191.2026 4.08 7072.6932 6433.9139 6166.4147 5641.1254 5857.7932 5360.9445 4.08_472.1641m/z 472.1641 4.08 1224.5197 1139.1034 1118.3578 1031.6358 1143.7190 1056.7542 4.08_472.1889n 473.1700 4.08 4765.7963 4463.3257 4834.8524 4353.5282 4698.8706 4459.5448 4.08_483.1653m/z 483.1653 4.08 1511.4682 1475.5130 1630.1574 1454.5813 1541.6560 1506.5385 4.08_538.2984m/z 538.2984 4.08 261.0725 267.9205 300.6785 241.6984 230.1890 242.4734 4.09_665.3139m/z 665.3139 4.09 2514.3037 2479.7855 2640.3728 2473.6070 2472.4614 2562.6130 4.09_673.8018m/z 673.8018 4.09 716.0795 665.1499 778.6169 671.1626 798.4982 699.9156 4.09_770.3763m/z 770.3763 4.09 197.2616 190.8022 167.2899 187.1616 195.4062 190.6847 4.09_803.3659m/z 803.3659 4.09 557.6504 530.1098 561.5879 578.0993 654.1438 642.5421 4.09_913.3861m/z 913.3861 4.09 734.6696 664.8187 725.2727 665.2220 728.4349 650.4522 4.10_295.0866m/z 295.0866 4.10 604.1246 519.0652 564.5221 507.0637 572.7694 481.1677 4.10_366.1405m/z 366.1405 4.10 272.6973 271.4278 263.3627 236.8491 251.2829 245.2014 4.10_602.5212m/z 602.5212 4.10 173.0917 97.8356 247.0273 128.1978 203.6141 205.8607 4.10_602.7716m/z 602.7716 4.10 216.4601 211.6817 318.1649 236.6703 204.4703 251.3891 4.11_190.0835m/z 190.0835 4.11 17527.4974 16969.7031 17721.8675 16775.7734 17168.4349 17114.2146 4.11_264.0737n 248.0774 4.11 3740.7925 3626.7760 3837.1471 3533.1935 3703.0086 3560.0564 4.11_265.0806m/z 265.0806 4.11 362.3697 306.9564 296.3761 239.9445 277.7006 270.2416 4.11_391.2208m/z 391.2208 4.11 6773.0365 7117.8434 7376.8779 6992.0978 7094.5627 7082.9900 4.11_391.7222m/z 391.7222 4.11 2531.0370 2659.0681 2753.1699 2663.1079 2659.8729 2701.7114 4.11_410.6964m/z 410.6964 4.11 123.6306 121.0168 104.4722 113.0405 99.7951 117.8649 4.11_423.1971m/z 423.1971 4.11 225.8419 187.4623 234.9375 234.8713 228.8793 217.8343 4.11_573.3336m/z 573.3336 4.11 997.6142 944.6577 1058.7664 896.3961 993.9432 940.9568 4.11_678.2807m/z 678.2807 4.11 1125.9156 1044.3648 1062.7933 1007.0350 1039.3484 1071.6962 4.11_682.8191n 666.8185 4.11 853.8504 789.2793 899.3738 860.6142 885.3087 872.2544 4.11_689.2747m/z 689.2747 4.11 649.2045 547.4095 609.9488 581.4684 594.6703 589.0094 4.11_781.4342m/z 781.4342 4.11 7683.1150 7392.4767 7414.0854 7467.1082 7343.3870 7467.8410 C41H64O14 Digoxin 4551 HIGH 4.12_192.1399m/z 192.1399 4.12 4428.9925 4045.4961 4708.3541 4260.2680 4706.1943 5106.4518 4.12_225.1173m/z 225.1173 4.12 244.2540 239.8930 236.8434 228.7100 227.8669 241.8377 4.12_263.0429m/z 263.0429 4.12 589.7504 525.2937 545.2136 576.0486 544.8436 531.2089 4.12_355.7026m/z 355.7026 4.12 89.2676 137.0025 127.8452 136.9693 134.1043 142.7158 4.12_479.1694m/z 479.1694 4.12 638.3680 575.2950 629.8428 495.8228 572.5790 569.8776 4.12_593.3028m/z 593.3028 4.12 345.1259 302.8211 348.7544 291.1419 349.9149 334.8501 4.12_703.2520m/z 703.2520 4.12 671.0129 597.3279 546.7059 555.5153 619.0599 571.8178 4.12_934.3633m/z 934.3633 4.12 962.0406 797.2805 850.0964 873.8407 990.9452 895.4586 4.13_231.1043n 232.1116 4.13 10647.2419 9908.5234 10679.5143 9675.7712 9582.4317 8912.6027 4.13_231.1050m/z 231.1050 4.13 635.5870 615.4570 632.6328 598.0424 635.0558 590.5475 4.13_310.0544m/z 310.0544 4.13 389.4262 366.9884 397.4739 358.3263 327.6170 355.0432 4.13_318.0499m/z 318.0499 4.13 900.7179 784.8426 868.7078 779.3756 752.4398 723.7827 4.13_401.7295m/z 401.7295 4.13 383.0315 360.2269 383.7929 417.6601 311.9738 413.2131 4.13_401.9826m/z 401.9826 4.13 369.5627 393.0792 347.3376 334.3869 360.6092 366.1376 4.13_535.3056m/z 535.3056 4.13 383.0224 437.4664 510.2239 353.5193 433.7314 410.3538 4.13_535.6411m/z 535.6411 4.13 270.1699 269.3392 352.3624 233.4504 294.6799 258.1526 4.13_645.3132m/z 645.3132 4.13 322.6519 289.4280 269.0175 258.5569 262.6051 218.7348 4.13_885.3722m/z 885.3722 4.13 468.9637 376.2737 392.4825 410.6296 426.5458 366.1508 4.14_252.0747m/z 252.0747 4.14 416.9883 366.1162 349.5634 319.5855 349.1218 327.5377 4.14_384.1156m/z 384.1156 4.14 286.2507 249.1481 229.0865 237.1277 264.8983 224.6081 4.14_452.1669m/z 452.1669 4.14 2497.0257 2421.9523 2420.9553 2138.8226 2226.3861 2194.0634 4.14_468.1409m/z 468.1409 4.14 583.5417 507.0011 601.1354 491.2357 552.9810 485.8987 4.14_677.2769n 661.2872 4.14 2769.8083 2546.5629 2549.5794 2363.7431 2503.2733 2428.5945 4.14_699.2345m/z 699.2345 4.14 1221.0668 1043.7367 1053.1746 961.3948 1152.7979 969.8451 4.14_759.2239m/z 759.2239 4.14 512.8993 515.7652 500.3397 389.8874 378.0158 429.9391 4.14_880.3402m/z 880.3402 4.14 297.9217 263.1267 239.4501 293.8821 195.1016 245.1000 4.15_107.0776n 130.0675 4.15 3186.0803 3045.1133 3136.6408 3009.5161 3066.8000 3122.3324 4.15_118.0689m/z 118.0689 4.15 24394.5482 23712.0583 24685.3527 23625.2095 24108.1005 24127.0326 4.15_131.0776n 132.0807 4.15 15072.4872 14497.1568 14154.9017 13500.0273 13824.0641 13783.3207 4.15_142.0652m/z 142.0652 4.15 3170.8940 3170.8127 3154.2156 3030.4316 3044.8062 3089.2680 4.15_144.0803m/z 144.0803 4.15 37592.0367 36934.0359 37862.2628 36701.7317 37597.5383 37717.6602 4.15_145.0621n 146.0607 4.15 39622.6955 39710.5418 40683.1199 39705.3546 39984.4264 39888.8430 4.15_159.0923m/z 159.0923 4.15 1521.7207 1757.1339 2336.2076 2250.6682 2132.6986 2053.7429 4.15_159.0951n 143.0725 4.15 9041.0366 8763.4147 9021.6821 8434.0116 8571.4490 8568.4634 4.15_187.0634n 188.0707 4.15 158308.4793 156683.6391 162274.4272 156961.1349 158936.0639 160520.1003 4.15_188.1129m/z 188.1129 4.15 979.8751 872.9519 986.4920 917.7821 825.9935 825.2482 4.15_188.1833m/z 188.1833 4.15 2325.4087 2127.4548 2032.7557 1913.9927 1914.9024 1687.2991 4.15_260.0489n 243.0456 4.15 832.8649 834.6923 850.5287 784.1954 848.2860 837.8997 4.15_289.0513m/z 289.0513 4.15 651.0007 677.9191 667.1907 653.3621 661.8868 661.9947 C10H12N2O6S Carbasulam MEDIUM 4.15_550.1042m/z 550.1042 4.15 398.8938 407.9500 409.1824 347.0212 285.5785 364.1671 4.16_227.0803m/z 227.0803 4.16 2226.7979 2164.4279 2357.1141 2150.5295 2240.0568 2192.3284 4.16_398.2291n 399.2364 4.16 23676.8705 23968.9278 24618.5380 23611.4059 23819.5061 23847.5119 4.16_447.1358m/z 447.1358 4.16 420.8950 420.9130 420.1098 427.5270 433.4081 374.1735 4.16_515.2769m/z 515.2769 4.16 497.0258 419.0623 439.2934 377.5350 457.9007 452.6999 4.18_336.1546m/z 336.1546 4.18 1140.3560 894.7302 1030.0581 845.5082 579.4136 316.9761 4.18_371.1757n 372.1830 4.18 31304.9315 24708.5777 27846.5015 21955.4620 16023.5039 7480.2182 4.19_243.1836m/z 243.1836 4.19 396.0647 394.0754 342.8034 434.4504 490.4771 427.8257 4.19_243.6851m/z 243.6851 4.19 87.2273 97.1341 79.7872 114.6452 87.2521 113.1292 4.19_245.0695m/z 245.0695 4.19 1023.4293 1017.9681 954.3407 911.2977 943.7578 883.6256 4.19_276.1374m/z 276.1374 4.19 460.5843 415.9149 445.8645 401.8044 362.0100 293.4908 4.19_281.1542m/z 281.1542 4.19 309.1418 226.0175 226.7236 191.6406 133.1186 67.0931 4.19_321.1893m/z 321.1893 4.19 448.2141 444.6311 460.1089 450.1036 465.9258 488.1507 4.19_321.5237m/z 321.5237 4.19 107.4029 122.7096 116.7354 101.4582 105.1885 136.5252 4.19_325.1668n 308.1635 4.19 1539.4293 1282.4233 1360.9814 1007.8236 870.3993 399.0061 4.19_328.1925m/z 328.1925 4.19 642.2406 557.3643 619.2764 508.3778 388.6982 194.7356 C17H29NO3S Sethoxydim HIGH 4.19_333.5047m/z 333.5047 4.19 146.3510 164.3451 205.3288 184.6296 173.4115 153.5736 4.19_371.1760m/z 371.1760 4.19 1138.2589 910.5566 932.3498 772.0973 560.0765 349.5155 4.19_378.7227m/z 378.7227 4.19 450.6909 438.9213 499.0548 453.2649 553.8305 526.0306 4.19_379.2165m/z 379.2165 4.19 647.1358 481.9686 572.2297 612.6125 674.7185 593.8410 4.19_387.7286m/z 387.7286 4.19 985.9903 1015.6534 1100.4360 1074.0291 1190.1016 1149.4456 4.19_480.7789m/z 480.7789 4.19 3080.1781 3034.5621 2854.7097 2888.0582 2891.7590 3089.8509 4.19_499.2887m/z 499.2887 4.19 534.8891 494.6977 482.7583 480.1021 485.3598 457.0887 4.20_348.1584m/z 348.1584 4.20 509.0488 386.8623 480.6208 411.7609 324.5866 123.8202 4.20_419.2510m/z 419.2510 4.20 1385.7461 1409.0500 1341.5402 1285.1559 1371.0598 1304.4080 4.20_706.0653m/z 706.0653 4.20 535.1496 563.4664 484.7722 533.7472 454.1065 553.8430 4.20_843.8669m/z 843.8669 4.20 479.5947 430.7357 489.7803 395.5011 391.5565 430.8483 4.20_844.3687m/z 844.3687 4.20 267.7226 261.1998 246.7179 264.3193 258.2959 269.0536 4.21_564.6525m/z 564.6525 4.21 281.0163 308.7184 292.7542 283.9665 374.0561 304.6737 4.21_705.5640m/z 705.5640 4.21 446.4106 574.3831 528.1638 557.1015 378.9598 595.5693 4.21_705.8146m/z 705.8146 4.21 632.3446 712.0698 741.2241 645.8780 646.8585 791.1850 4.22_540.7572m/z 540.7572 4.22 99.5902 123.6826 90.5648 89.5013 155.0455 156.3003 4.24_347.6583n 365.6921 4.24 1127.2637 1106.1496 1196.1378 1089.1490 1196.2008 1207.7680 4.24_366.1929m/z 366.1929 4.24 344.9673 349.3674 351.7474 340.6542 370.3166 363.9735 4.24_457.7160m/z 457.7160 4.24 716.7801 671.1649 668.9817 675.7266 703.5419 703.2072 4.24_516.2429m/z 516.2429 4.24 733.7204 769.9514 778.2560 716.8254 735.3399 779.4662 4.25_126.0920m/z 126.0920 4.25 253.2720 275.8673 251.4549 260.2850 296.8074 263.4393 C7H8O p-Cresol P-Cresol 17847 MEDIUM 4.25_184.1214n 207.1110 4.25 8042.2427 7878.8113 7919.4475 7453.5602 8114.6162 7839.7155 4.25_302.0211m/z 302.0211 4.25 871.4048 925.3991 968.8135 773.8005 718.5646 885.7194 4.25_378.6470m/z 378.6470 4.25 880.1528 908.2999 934.6017 898.9585 936.6589 947.0785 4.25_718.3388m/z 718.3388 4.25 1259.6387 1273.4441 1338.6911 1178.3106 1233.8598 1249.6727 4.26_157.0842m/z 157.0842 4.26 4674.7480 4512.8293 4254.5253 3900.0236 4152.0971 4153.6947 4.26_219.0549m/z 219.0549 4.26 2071.5087 2169.9483 2369.0553 2200.1120 2432.0378 2428.2782 4.26_387.6999m/z 387.6999 4.26 1836.4310 1789.6918 1679.8101 1762.0609 1798.6285 1869.9188 4.26_388.2113m/z 388.2113 4.26 1148.9725 1104.9553 1109.1627 1063.4259 1181.4652 1148.9852 4.26_563.4962m/z 563.4962 4.26 875.2466 877.9616 775.0080 947.0107 939.0307 944.3467 4.26_563.7472m/z 563.7472 4.26 980.6672 871.8313 860.9171 887.5880 894.2492 1029.6072 4.26_564.2479m/z 564.2479 4.26 323.7832 247.9679 219.1732 330.3540 265.0805 337.0671 4.26_750.9916m/z 750.9916 4.26 247.8947 199.2960 237.4099 235.4893 244.9583 186.3041 4.26_751.6605m/z 751.6605 4.26 128.8429 136.1640 129.0130 105.4085 126.3600 141.5613 4.28_563.9981m/z 563.9981 4.28 627.2661 601.9790 531.7503 654.0507 699.2390 646.2412 4.28_751.3266m/z 751.3266 4.28 216.7411 236.2519 210.3664 187.7739 241.1796 235.5042 4.30_407.1518n 430.1839 4.30 274.6622 234.3194 283.4762 261.0911 256.2927 262.1630 4.30_417.5325m/z 417.5325 4.30 274.4762 270.5806 277.0710 275.3243 301.0381 303.7808 4.30_433.8678n 416.8645 4.30 1372.1339 1343.4867 1381.2443 1398.1776 1421.4197 1378.6497 4.30_539.2686m/z 539.2686 4.30 574.4948 579.5238 518.1989 549.8715 501.1663 514.5269 4.31_410.8607m/z 410.8607 4.31 1055.3443 1061.3475 944.5234 974.0861 1016.5932 962.1418 4.31_411.1949m/z 411.1949 4.31 623.4789 613.9286 556.7147 579.5646 584.2147 621.2272 4.31_417.1988m/z 417.1988 4.31 756.7046 790.3889 745.7033 782.0612 860.4095 866.8242 4.31_428.5329n 429.5138 4.31 828.6495 761.9647 833.8074 804.7452 878.5862 892.1280 4.31_429.8475m/z 429.8475 4.31 380.4077 365.1280 367.5924 349.0359 357.9263 414.6848 4.31_538.7687m/z 538.7687 4.31 915.7734 920.4722 857.0242 925.1177 960.4896 911.3974 4.31_624.7930m/z 624.7930 4.31 2539.8761 2416.6692 2284.6029 2439.0080 2546.3747 2430.2946 4.31_625.2941m/z 625.2941 4.31 1404.9481 1417.0906 1310.3121 1393.0975 1411.2695 1410.9357 4.31_643.7665m/z 643.7665 4.31 342.5368 358.9186 319.3412 327.5386 372.4948 317.3063 4.31_644.2680m/z 644.2680 4.31 204.9081 197.0218 179.3538 189.4741 201.8702 197.1349 4.32_333.1394m/z 333.1394 4.32 1153.0205 1148.0942 1124.8708 1149.6530 1169.7514 1123.1011 4.32_333.6405m/z 333.6405 4.32 308.9858 307.0737 313.3501 316.3362 297.6193 315.9750 4.32_353.1503n 371.1683 4.32 310.7790 287.7375 276.5481 211.9207 286.4759 227.5225 4.32_627.3229m/z 627.3229 4.32 4552.0720 4480.4067 4470.5577 4339.4529 4445.7847 4320.9901 C35H39N5O5 Ergocristine MEDIUM 4.33_438.8413m/z 438.8413 4.33 298.0664 545.6324 524.4186 533.0549 720.2086 790.8558 4.33_548.0484m/z 548.0484 4.33 954.6394 1196.3286 984.2944 990.3077 1300.3001 1444.8665 4.34_548.2990m/z 548.2990 4.34 1108.3192 1444.9924 1343.0999 1307.9140 1662.4381 1746.0170 4.34_548.5501m/z 548.5501 4.34 473.7199 703.5326 681.5532 654.7183 830.1621 896.6132 4.35_353.8867m/z 353.8867 4.35 129.6186 170.3941 185.6916 169.2973 192.1024 192.7736 4.36_221.0125m/z 221.0125 4.36 424.9701 479.4416 504.7343 493.3298 481.2339 528.2000 4.36_267.0189m/z 267.0189 4.36 615.5727 610.3344 600.5945 609.4330 609.8416 602.3826 4.38_445.5762m/z 445.5762 4.38 217.8667 225.6470 230.3452 216.9924 222.9098 183.2781 4.38_445.9095m/z 445.9095 4.38 179.1046 187.3910 201.6033 162.8088 154.3767 156.8645 4.40_360.2006m/z 360.2006 4.40 520.0449 567.1445 573.0488 565.3694 526.7158 472.1858 4.43_187.0950m/z 187.0950 4.43 468.8899 411.1432 411.2626 348.0511 396.7855 390.1438 C6H6O2 1-(2-Pyrimidyl)piperazine 1-(2-pyrimidyl)piperazine MEDIUM 4.43_596.2824m/z 596.2824 4.43 467.9021 484.4307 462.4052 491.3618 501.3190 446.8501 4.43_596.7836m/z 596.7836 4.43 259.8679 258.3479 219.5074 260.1182 219.3978 267.4883 4.44_195.1130m/z 195.1130 4.44 729.1750 800.7009 820.2397 783.9793 816.4757 794.8342 C10H11NO2 5-Hydroxytryptophol 5-Hydroxytryptophol HMDB01855 HIGH 4.44_302.0214m/z 302.0214 4.44 434.0471 457.7180 476.0006 374.7781 335.5798 432.5320 4.45_146.0611m/z 146.0611 4.45 339.1834 353.6770 324.5275 338.8259 334.6059 339.9835 C6H15AlO3 Aluminum ethylate MEDIUM 4.45_247.1441m/z 247.1441 4.45 784.8447 792.7045 868.7565 872.2244 803.0462 811.0365 C9H16ClN5 Propazine 38067 HIGH 4.45_332.4918m/z 332.4918 4.45 157.0783 174.3151 136.1083 189.8573 177.3190 166.1417 4.45_454.9059m/z 454.9059 4.45 192.0327 217.6846 181.4585 219.0989 182.4403 174.6022 4.45_466.7158m/z 466.7158 4.45 231.0129 248.0172 233.3730 257.6394 253.2293 203.1062 4.45_479.2606m/z 479.2606 4.45 2187.8561 2024.5008 2011.9151 2009.2272 2048.1611 1958.9616 4.45_479.7621m/z 479.7621 4.45 987.9439 928.7236 880.5717 886.7277 941.8291 869.9982 4.46_197.0666m/z 197.0666 4.46 262.9674 294.2995 272.5258 244.5692 255.6200 264.4936 C15H12O3 "1,3-Dimethyluric acid" "1,3-Dimethyluric acid" HMDB01857 MEDIUM 4.46_262.1666m/z 262.1666 4.46 38.0843 45.8012 20.3466 29.7575 31.3259 41.3130 4.52_202.1069m/z 202.1069 4.52 214.8502 232.2364 229.6697 248.3420 181.4675 251.3048 C9H17NO5 Pantothenic acid Pantothenic acid HMDB00210 HIGH 4.52_241.1222n 225.0997 4.52 406.1983 486.0216 445.9593 469.4985 451.2173 468.8491 4.52_246.6327m/z 246.6327 4.52 152.7490 158.6271 167.2255 177.9791 141.5676 137.6753 4.52_255.1461m/z 255.1461 4.52 809.2018 868.9621 834.3576 814.3550 843.4295 861.1308 4.52_255.6472m/z 255.6472 4.52 199.4544 214.2910 213.1315 202.5795 207.6111 188.6993 4.52_258.6491m/z 258.6491 4.52 476.9518 482.7456 475.3300 509.0351 444.5307 508.8300 4.52_269.6455m/z 269.6455 4.52 444.1816 451.8179 445.2663 456.4687 457.4291 457.0913 4.52_285.1609n 269.1383 4.52 4314.4119 4528.5942 4538.6078 4495.5562 4475.8173 4589.0522 4.52_289.1633m/z 289.1633 4.52 876.8960 880.3522 921.0004 884.4968 902.0550 926.2090 4.52_302.6694n 325.6863 4.52 1133.3665 1243.0751 1201.5919 1181.1736 1183.8689 1220.3006 4.52_311.6887m/z 311.6887 4.52 268.7294 256.4149 246.8667 248.5456 249.1040 232.1636 4.52_312.1886m/z 312.1886 4.52 66.7189 76.3264 62.0731 75.7974 66.2496 73.2078 4.52_313.1400n 296.1367 4.52 685.7074 760.3990 674.0442 727.7794 704.2888 728.1071 4.52_313.6733m/z 313.6733 4.52 101.4228 107.5716 108.1745 96.2959 99.1297 100.5854 4.52_326.1867m/z 326.1867 4.52 279.4426 278.7404 276.4717 249.0635 281.9889 253.4405 4.52_333.7070m/z 333.7070 4.52 3040.5472 3125.3793 2954.6068 2896.3443 3028.9043 3003.4247 4.52_340.5088m/z 340.5088 4.52 291.0875 341.1163 338.1465 328.8870 324.6092 326.1547 4.52_340.8440m/z 340.8440 4.52 130.7427 109.5909 141.4235 104.9704 122.3138 101.9006 4.52_345.8510m/z 345.8510 4.52 2019.6526 2029.6513 1971.6485 1972.3454 2003.1733 1976.7897 4.52_350.5189n 351.5262 4.52 4006.0545 4218.3603 4103.2338 4016.4248 4108.7019 4150.3241 4.52_351.2113n 334.2080 4.52 2091.9373 2141.3062 2153.7551 2090.7916 2062.4365 2228.1642 4.52_353.8366m/z 353.8366 4.52 124.3561 119.1993 141.1362 121.8291 99.6849 102.5248 4.52_356.1981n 340.1756 4.52 901.8592 916.4806 793.6064 927.2685 789.3025 922.0613 4.52_359.1634m/z 359.1634 4.52 1398.1414 1455.6006 1426.8878 1365.6678 1410.0635 1430.6194 C24H25NO3 Cyphenothrin Cyphenothrin 31450 MEDIUM 4.52_363.1675n 364.1748 4.52 9524.5017 9909.5270 10306.9649 9804.2696 9930.6292 9802.5856 4.52_363.5224n 364.5091 4.52 4998.0332 5109.8105 5229.2740 4892.0364 5007.3868 5064.3985 4.52_364.8431m/z 364.8431 4.52 1750.9239 1746.9054 1722.2814 1731.7237 1672.0018 1653.4410 4.52_368.8633n 351.8600 4.52 2612.5761 2765.0015 2626.3294 2562.9692 2611.9196 2688.7322 4.52_369.4992m/z 369.4992 4.52 681.0105 706.2410 654.3424 616.8967 650.7152 635.9226 4.52_370.1670m/z 370.1670 4.52 149.6215 171.2371 158.8470 142.0147 140.8728 134.1521 4.52_371.5041n 372.4974 4.52 355.7951 395.2767 412.0024 399.2445 413.7735 441.0704 4.52_372.1634m/z 372.1634 4.52 888.8888 888.9899 855.5170 863.9284 860.4682 875.5862 4.52_372.8309m/z 372.8309 4.52 413.5415 411.1019 440.3640 425.3203 386.3642 442.5177 4.52_375.8668n 359.8442 4.52 1379.1838 1342.8567 1371.1497 1297.8529 1401.9577 1491.6684 4.52_376.5117n 359.5084 4.52 1381.4617 1430.6118 1451.1508 1359.9703 1412.9064 1414.6954 4.52_378.8295m/z 378.8295 4.52 170.1143 161.5904 187.8972 161.3328 182.0056 134.4977 4.52_382.1478m/z 382.1478 4.52 181.5477 161.8665 177.3116 150.4461 153.1188 141.3153 4.52_382.7079m/z 382.7079 4.52 191.9788 195.4296 197.6662 221.9177 214.2229 208.7735 4.52_384.8130m/z 384.8130 4.52 146.4932 153.8689 197.8384 148.3810 180.9603 139.5878 4.52_385.4801m/z 385.4801 4.52 79.3780 101.7375 75.3395 89.3513 98.9334 96.3631 4.52_391.1868n 409.2206 4.52 2172.6238 2175.8069 2182.3770 2139.0349 2161.6886 2234.0982 4.52_403.2061m/z 403.2061 4.52 5317.8462 5472.5355 5579.3958 5456.4060 5326.6187 5505.4277 4.52_515.2864n 516.2904 4.52 4934.9813 5006.6398 4987.8134 5098.9632 4929.1480 4872.9689 4.52_525.7775n 526.7848 4.52 21377.8977 20150.0661 20470.2625 20422.2720 20963.2295 20566.0892 4.52_526.2791n 527.2864 4.52 10906.5772 10599.4083 10630.6052 10664.0825 11033.4609 10674.3623 4.52_529.3444m/z 529.3444 4.52 319.5556 352.1485 371.8579 369.1598 336.2512 306.4478 4.52_536.2761n 537.2792 4.52 5145.2414 5452.0694 5286.9437 5364.1129 5213.3385 5405.2577 4.52_536.7681n 537.7754 4.52 1886.3285 1858.6162 1948.8920 2085.6033 2045.1709 1984.3663 4.52_545.7585m/z 545.7585 4.52 999.6450 997.3781 969.5887 1008.2122 1102.8103 1019.6083 4.52_546.2605m/z 546.2605 4.52 514.0948 438.8119 482.7089 474.5118 479.5619 460.6236 4.52_553.2413m/z 553.2413 4.52 227.8589 163.4673 194.3900 223.4015 221.7874 195.3302 4.52_553.7439m/z 553.7439 4.52 214.5805 195.9719 222.3025 198.7746 235.8138 210.5039 4.52_556.7483m/z 556.7483 4.52 319.7677 326.2310 238.3529 358.9520 364.2809 374.0298 4.52_626.3171n 610.2945 4.52 719.5261 735.6359 795.6883 772.1786 693.5219 745.1958 4.52_628.3087m/z 628.3087 4.52 807.1513 783.7926 742.0823 734.7043 737.2978 746.2406 4.52_649.3587n 650.3621 4.52 846.3988 884.0765 800.1353 821.4020 799.2429 852.1048 4.52_828.4705m/z 828.4705 4.52 563.7992 616.3092 566.7944 653.2914 569.8657 587.6151 4.52_86.0976m/z 86.0976 4.52 526.8269 579.1346 545.9199 539.2885 530.0132 567.4134 4.53_308.1854m/z 308.1854 4.53 544.7897 525.4280 560.4833 536.5205 566.0733 596.0898 4.53_308.6865m/z 308.6865 4.53 163.4442 167.5906 163.2410 183.8440 142.9416 162.9517 4.53_560.2553m/z 560.2553 4.53 166.1110 157.8355 165.3187 194.6809 240.6667 194.6455 4.55_329.6973m/z 329.6973 4.55 97.6230 38.3511 46.7822 78.6140 74.6807 71.0592 4.55_352.6957m/z 352.6957 4.55 374.9126 409.6674 367.8498 382.5329 386.7109 444.0682 4.55_513.7629m/z 513.7629 4.55 275.6152 272.0556 264.8231 285.6772 350.4415 323.2960 4.56_124.0510m/z 124.0510 4.56 493.7680 506.3732 521.9935 491.2572 503.1219 505.0478 4.56_181.0724m/z 181.0724 4.56 17204.9544 17622.6306 17184.7811 17257.1091 17310.7196 17902.1087 C7H8N4O2 Theophylline Theophylline 28177 HIGH 4.56_265.0250m/z 265.0250 4.56 455.1472 445.0976 411.8587 419.6628 441.8543 453.3149 4.56_317.1532m/z 317.1532 4.56 1554.2932 1537.2897 1699.0816 1701.1774 1708.2608 1782.8805 4.56_514.0136m/z 514.0136 4.56 281.5097 348.5944 306.4081 242.5723 332.3828 305.9428 4.56_568.0375m/z 568.0375 4.56 444.2710 561.8575 542.7565 519.4155 607.7315 560.6320 4.56_616.8026m/z 616.8026 4.56 215.1642 201.2287 209.1145 185.3286 191.6731 197.4832 4.57_373.2323m/z 373.2323 4.57 542.6650 555.9622 555.4006 587.3074 568.0874 592.3403 4.57_373.7344m/z 373.7344 4.57 170.7086 165.1756 184.3346 160.0715 146.1691 167.1547 4.57_406.4572m/z 406.4572 4.57 79.9193 55.5366 103.1082 101.0610 66.2832 101.0938 4.57_429.7767m/z 429.7767 4.57 359.7512 299.2752 345.7900 336.2502 367.5299 339.7655 4.57_673.5395m/z 673.5395 4.57 718.2571 662.8933 638.1253 696.8158 841.7933 748.3972 4.57_673.7904m/z 673.7904 4.57 937.7070 999.8001 863.1433 867.0983 909.3401 1035.1500 4.57_674.0413m/z 674.0413 4.57 653.4531 655.5569 654.4277 655.4306 612.2876 664.9412 4.57_674.2915m/z 674.2915 4.57 332.9834 319.7964 274.5937 359.9583 378.0905 307.0488 4.58_339.2022m/z 339.2022 4.58 598.5224 666.3284 707.3184 596.5146 678.2238 680.1995 4.58_339.5367m/z 339.5367 4.58 318.0121 316.7018 374.1961 347.3186 347.2845 337.0338 4.58_508.2990m/z 508.2990 4.58 434.7620 474.6665 435.3215 437.1156 456.9434 441.1150 4.58_566.8151m/z 566.8151 4.58 1643.5781 1707.3252 1476.4354 1425.6689 1612.9224 1660.8016 4.58_567.3174m/z 567.3174 4.58 429.4504 440.8849 383.3081 385.3073 382.7992 428.6055 4.59_111.0239m/z 111.0239 4.59 214.4418 196.6777 212.6734 194.7821 218.2117 198.6907 4.59_451.7574m/z 451.7574 4.59 354.8542 396.6056 425.5950 439.0236 405.0850 405.6424 4.59_508.8004m/z 508.8004 4.59 223.7066 244.8911 229.2861 260.7442 248.8078 205.4257 4.60_246.1702m/z 246.1702 4.60 1558.4496 1602.7992 1587.8848 1561.0955 1623.2233 1578.9220 4.60_275.4969m/z 275.4969 4.60 305.6077 306.2514 332.6352 285.4876 327.7623 295.4550 4.60_276.1671m/z 276.1671 4.60 109.6790 119.8289 86.9066 91.6870 118.8704 99.5573 4.60_377.7249m/z 377.7249 4.60 408.3283 426.2137 473.9457 438.2464 448.0505 432.5110 4.60_429.7447n 412.7414 4.60 1366.8209 1384.9024 1359.3666 1351.3435 1333.0169 1300.7694 4.64_211.0581m/z 211.0581 4.64 406.5252 396.2602 340.4161 322.2263 334.0029 376.4610 C10H12O6 Polyethylene terephthalate 53259 MEDIUM 4.64_380.1883m/z 380.1883 4.64 262.7615 265.5422 275.3393 301.8455 329.0426 303.4622 4.65_157.0842m/z 157.0842 4.65 841.6090 883.7048 1237.1598 1071.9889 1266.0242 1392.7606 C6H14O3 "Polypropylene glycol (m w 1,200-3,000)" 53262 MEDIUM 4.65_219.0543m/z 219.0543 4.65 766.1269 819.8878 1034.1516 989.3036 1080.0405 1190.7468 4.65_366.2125m/z 366.2125 4.65 264.4905 276.7158 274.1623 291.2823 299.5800 250.2522 4.66_231.1706m/z 231.1706 4.66 228.3982 204.8720 185.8198 185.6508 196.7501 191.3604 4.66_261.1452m/z 261.1452 4.66 857.7332 837.4020 862.1002 879.5142 888.7745 904.3142 C16H23NO3 Promacyl MEDIUM 4.66_390.6229m/z 390.6229 4.66 1643.3007 1637.5995 1757.2256 1743.7936 1779.3029 1698.0681 4.66_742.2905m/z 742.2905 4.66 3046.6423 2970.2632 3026.0420 2963.4684 2917.9708 2975.4999 4.67_302.0211m/z 302.0211 4.67 331.5077 346.8846 354.1371 285.8964 302.0866 346.7991 4.68_595.7768m/z 595.7768 4.68 394.2042 401.5563 415.9315 445.7052 443.8131 467.8887 4.68_596.2772m/z 596.2772 4.68 229.9562 283.1856 217.1136 277.0054 267.2046 252.1839 4.69_246.1706m/z 246.1706 4.69 2691.8924 2719.7862 2670.0157 2623.4551 2786.7155 2708.6447 4.69_362.1128m/z 362.1128 4.69 209.5176 209.2454 174.6806 236.0599 244.1990 207.4243 4.69_410.1708m/z 410.1708 4.69 177.0803 215.1816 195.4144 194.4756 201.3540 230.8762 4.69_685.2696m/z 685.2696 4.69 304.2809 299.2743 309.5652 292.9462 310.7268 321.1575 4.70_265.7988m/z 265.7988 4.70 615.2644 697.6914 665.1273 671.4026 716.6059 707.8932 4.70_379.7219m/z 379.7219 4.70 2275.6950 2269.7809 2172.5003 2207.5276 2235.5446 2232.4155 4.70_402.7251m/z 402.7251 4.70 1148.4271 1186.4984 1347.0837 1324.1222 1413.1738 1410.5587 4.70_403.2204m/z 403.2204 4.70 940.5766 1020.0634 930.9710 951.4673 1000.0116 1051.6535 4.71_203.0536m/z 203.0536 4.71 285.0274 271.7376 278.1363 268.6924 270.2367 281.0589 C7H8N4O2 Theophylline Theophylline 28177 HIGH 4.71_266.1326m/z 266.1326 4.71 283.7124 288.2277 267.7955 279.6582 291.1313 314.1792 4.71_370.7060m/z 370.7060 4.71 236.3861 226.4803 217.6984 238.9029 242.3331 271.5998 4.71_379.2204m/z 379.2204 4.71 5518.7955 5615.3767 5576.9253 5238.5392 5470.8437 5727.0858 4.71_390.2106m/z 390.2106 4.71 703.5691 668.2335 631.7633 677.9088 677.3546 699.1571 4.71_398.1937m/z 398.1937 4.71 338.5204 332.8787 340.3647 355.3485 324.5937 342.5503 4.71_516.2894m/z 516.2894 4.71 956.6356 912.5983 920.2361 923.9909 964.5698 923.4406 4.71_643.3414n 644.3481 4.71 775.2541 746.2585 691.5362 685.7459 665.4016 678.8190 4.72_251.7916m/z 251.7916 4.72 192.2881 193.1710 177.1175 182.7378 186.3776 188.0773 4.72_252.1250m/z 252.1250 4.72 96.2335 106.8185 84.5067 88.1879 102.1287 123.4254 4.72_358.2096m/z 358.2096 4.72 9171.3337 9330.9820 9147.5433 8712.7563 8989.6834 9066.9791 4.72_358.7111m/z 358.7111 4.72 2993.7612 3080.7333 3034.9192 2902.4201 2958.7609 2904.4628 4.72_369.7014m/z 369.7014 4.72 167.3760 200.2059 186.1448 180.9026 205.2638 178.1368 4.72_618.3545m/z 618.3545 4.72 1331.5069 1335.8428 1372.9264 1261.2196 1263.4688 1288.3416 4.73_260.1341m/z 260.1341 4.73 118.0855 144.7299 118.5364 121.9613 114.1439 141.8361 4.73_284.1400m/z 284.1400 4.73 586.4282 610.5007 577.3119 556.1346 582.8915 580.7487 4.73_284.6412m/z 284.6412 4.73 161.7738 160.2278 148.7424 155.4059 169.0324 122.6715 4.73_363.8767m/z 363.8767 4.73 152.4486 137.1508 127.4942 154.7519 126.2692 147.6360 4.73_364.2078m/z 364.2078 4.73 71.9681 117.6595 102.1110 94.6020 76.4819 80.7047 4.73_436.2315m/z 436.2315 4.73 713.0292 756.8323 731.1553 716.7335 760.8240 737.1959 4.73_567.7638n 585.7539 4.73 335.6127 327.8347 354.5329 332.2303 330.3101 314.8077 4.73_584.2924n 585.2541 4.73 754.8263 802.4023 804.0225 739.2742 849.2688 766.8505 4.75_275.1112m/z 275.1112 4.75 1021.0446 956.2053 999.4979 941.0714 978.6687 1191.8425 4.75_402.4586m/z 402.4586 4.75 1082.3747 1229.9801 1118.8377 1119.9699 1232.3634 1271.1363 4.75_536.2753m/z 536.2753 4.75 335.8113 441.9702 401.0708 417.2523 460.3934 460.6290 4.77_291.0778m/z 291.0778 4.77 335.3468 348.5469 365.9209 311.0744 348.3410 375.7981 4.77_380.9498m/z 380.9498 4.77 89.8733 136.6596 95.4349 90.2961 79.2606 83.4467 4.77_402.9598m/z 402.9598 4.77 499.5998 508.3527 501.1115 480.5483 511.5861 514.6696 4.77_483.6073m/z 483.6073 4.77 139.0912 178.4099 142.2765 147.4967 169.4691 188.3261 4.77_509.0231m/z 509.0231 4.77 1556.6267 1935.3422 1628.7579 1607.8105 1915.3604 1945.8975 4.77_509.2746m/z 509.2746 4.77 1949.8952 2198.1710 1999.6559 2131.4787 2409.7588 2353.9630 4.77_509.5261m/z 509.5261 4.77 1072.4322 1207.9240 1061.3731 1137.8870 1306.4839 1314.2626 4.77_536.6099m/z 536.6099 4.77 250.7895 348.1692 274.8517 232.9650 319.4055 334.5448 4.77_536.9427m/z 536.9427 4.77 126.0501 140.7725 93.6870 106.7094 160.1951 140.7888 4.78_223.1080m/z 223.1080 4.78 301.9174 333.1464 344.3768 325.1251 345.6780 370.4833 C11H11NO3 o-(2-Propynyloxy)phenyl methylcarbamate MEDIUM 4.78_292.1487m/z 292.1487 4.78 892.6801 967.9763 1002.0410 944.5061 945.4912 1016.8426 4.78_292.6502m/z 292.6502 4.78 245.1605 290.4749 288.9899 303.9811 305.3937 330.2067 4.78_311.1220m/z 311.1220 4.78 117.3214 114.8321 92.4363 130.9103 110.8868 127.6511 4.78_333.1933m/z 333.1933 4.78 441.3039 505.8004 480.1516 482.2562 490.5512 502.5083 4.78_496.2556m/z 496.2556 4.78 363.2811 357.7005 356.9384 330.7989 386.9940 410.4076 4.78_583.2898m/z 583.2898 4.78 482.4448 457.1927 431.1277 391.3763 390.4848 427.4181 4.79_527.7781m/z 527.7781 4.79 209.1900 212.1730 228.1446 195.0673 202.1335 231.2990 4.80_364.5033m/z 364.5033 4.80 200.7797 216.6034 200.3153 213.9768 230.6176 230.4600 4.80_443.7532m/z 443.7532 4.80 536.9056 592.1563 559.0792 564.9498 599.1752 640.5570 4.80_527.2772m/z 527.2772 4.80 412.0081 373.5597 428.5446 434.6826 394.5978 467.9637 4.81_261.1372m/z 261.1372 4.81 6503.5594 5759.3658 6376.7691 5864.9662 5947.5350 7084.4502 C16H18N2 Agroclavine MEDIUM 4.81_277.0969m/z 277.0969 4.81 355.3990 329.0351 438.2189 311.9635 384.5071 478.1035 4.81_385.9728m/z 385.9728 4.81 390.8666 446.1807 441.1617 358.7846 326.0193 425.7649 4.82_293.1923m/z 293.1923 4.82 153.4813 164.7415 180.0347 179.1975 180.7101 177.1799 4.82_293.6926m/z 293.6926 4.82 35.6159 58.7328 64.0158 35.9262 42.9080 44.8688 4.83_302.0206m/z 302.0206 4.83 469.2056 458.2038 544.3196 431.1278 418.7660 501.1908 4.83_493.2460m/z 493.2460 4.83 194.0435 210.0046 265.8400 227.9261 169.8515 206.8654 4.83_517.7450m/z 517.7450 4.83 306.2695 340.5361 365.1816 333.6513 294.7993 317.8918 4.84_159.0596n 143.0370 4.84 704.7675 755.7106 823.3029 686.1177 728.4799 804.1778 4.84_169.0154m/z 169.0154 4.84 671.0844 720.0507 751.4070 707.0357 745.8892 767.5259 4.84_171.0288m/z 171.0288 4.84 485.6933 500.0770 546.2277 520.4004 556.4691 558.8254 4.84_175.0343m/z 175.0343 4.84 768.2213 761.8334 793.4237 754.4160 764.6381 776.4636 4.84_197.0089m/z 197.0089 4.84 328.1175 351.8743 364.6662 335.5369 367.9469 332.6093 4.84_232.0260n 215.0228 4.84 2061.6628 2183.2386 2214.6650 2036.0426 2126.0228 2203.7171 4.84_298.0736n 299.0808 4.84 1256.8290 1295.3484 1286.8549 1272.0538 1297.2432 1311.5762 4.84_473.1071m/z 473.1071 4.84 375.4685 396.4176 393.8003 372.1700 343.2365 356.0906 4.84_484.0936n 467.0903 4.84 1384.2131 1637.9770 1567.2205 1503.4258 1613.8246 1649.8385 4.84_518.2568m/z 518.2568 4.84 345.2850 402.4062 389.6506 357.9937 414.1369 421.5264 4.84_619.1328m/z 619.1328 4.84 285.1554 330.5550 291.3647 303.6106 307.0835 351.9912 4.85_401.0418m/z 401.0418 4.85 331.5742 326.1590 342.4039 338.6338 319.4816 371.4160 4.86_346.7016n 364.7143 4.86 192.8231 217.2781 180.0240 231.0398 195.1258 199.2518 4.86_467.2208m/z 467.2208 4.86 319.8460 253.9729 292.6793 265.0719 280.8718 286.1358 4.86_467.7216m/z 467.7216 4.86 150.6090 127.0635 129.0648 122.1059 109.2743 146.8220 4.87_132.1027m/z 132.1027 4.87 505.5022 502.1554 482.6904 476.9471 497.8899 472.4367 C6H10O2 Gamma-Caprolactone HMDB03843 MEDIUM 4.87_261.1223n 245.0821 4.87 599.6609 641.3064 592.8536 533.2533 577.7280 543.3851 4.89_451.9737m/z 451.9737 4.89 130.7366 127.4846 146.2333 130.3958 151.2642 167.0591 4.89_456.4774m/z 456.4774 4.89 982.2126 970.8759 1003.7583 909.0895 935.5437 1010.9582 4.89_456.7286m/z 456.7286 4.89 902.7840 906.5721 1006.0417 906.6097 903.5126 967.0544 4.89_457.2285m/z 457.2285 4.89 150.4508 146.0142 229.2288 166.3962 203.6408 184.1332 4.89_608.9697m/z 608.9697 4.89 93.5997 115.4051 120.5040 103.1299 108.0544 133.0683 4.90_443.2493m/z 443.2493 4.90 2661.9574 2846.0035 2824.3574 2855.3997 2851.9464 3052.0889 4.90_443.5814m/z 443.5814 4.90 983.2185 1024.0877 1068.6180 1082.9775 1111.8349 1184.3182 4.90_443.9155m/z 443.9155 4.90 406.8156 452.3789 391.7041 477.8532 471.0842 461.8059 4.90_608.6350m/z 608.6350 4.90 253.4246 246.8548 307.3978 210.1678 274.3957 260.3754 4.93_316.2129m/z 316.2129 4.93 2831.3615 3098.4636 2945.2850 3155.9701 3133.4849 3199.0648 4.93_359.8384m/z 359.8384 4.93 127.5864 117.0551 121.7299 109.0536 113.1280 105.7894 4.93_364.5030m/z 364.5030 4.93 416.9200 471.5346 420.1049 439.8168 419.4000 453.3266 4.93_395.5215m/z 395.5215 4.93 125.1585 128.0716 115.8878 122.0815 124.8872 166.8138 4.93_395.8552m/z 395.8552 4.93 97.1416 96.3100 78.7516 94.6622 78.7018 96.7924 4.93_404.1898m/z 404.1898 4.93 372.2077 436.1666 412.8681 388.6148 433.5043 422.3217 4.93_573.8055m/z 573.8055 4.93 867.1900 886.1495 882.4569 887.6985 919.7144 887.2419 4.93_574.3066m/z 574.3066 4.93 448.9568 429.8051 440.2055 431.5468 428.4623 402.1804 4.94_351.8547m/z 351.8547 4.94 239.1482 268.7462 251.8158 247.1959 279.8442 301.9387 4.94_352.1869m/z 352.1869 4.94 164.2716 134.6230 158.7734 166.8745 154.4855 158.9928 4.94_364.8374m/z 364.8374 4.94 251.8904 238.3599 273.4309 237.1841 289.2849 241.1022 4.94_368.1763m/z 368.1763 4.94 257.5845 304.8737 244.6868 233.0185 306.7491 273.9746 4.94_368.4271m/z 368.4271 4.94 197.3816 187.9813 164.4654 176.1520 172.9656 170.4896 4.94_435.2453n 419.2506 4.94 785.1584 851.0944 789.8740 830.7979 800.0732 815.3749 4.94_490.5660m/z 490.5660 4.94 1486.2931 1490.4345 1654.1672 1533.1285 1644.6328 1688.4909 4.94_490.9006m/z 490.9006 4.94 1036.2670 1109.9713 1227.3899 996.6218 1126.4402 1144.3292 4.94_491.2340m/z 491.2340 4.94 625.8000 642.9526 684.2373 631.9223 640.6961 712.2982 4.94_527.2771m/z 527.2771 4.94 820.5941 822.3931 1013.6684 869.6497 837.7734 973.0889 4.94_527.7783m/z 527.7783 4.94 455.6847 449.5043 573.4283 461.9987 471.7578 490.4049 4.96_201.1246m/z 201.1246 4.96 973.9787 927.9995 899.3954 896.0135 940.2169 965.2628 C12H18O Propofol Propofol 8495 MEDIUM 4.96_244.6640m/z 244.6640 4.96 1274.8287 1259.7750 1252.4389 1265.1593 1239.4248 1278.4952 4.96_263.6375m/z 263.6375 4.96 531.4201 471.1656 487.0500 477.0693 465.1283 499.0646 4.96_264.1393m/z 264.1393 4.96 160.6005 138.6160 160.1525 151.7538 154.4199 151.2447 4.96_401.2882m/z 401.2882 4.96 3245.8084 3271.6468 3134.8649 3113.9391 3108.2883 3134.9071 4.96_86.0976m/z 86.0976 4.96 167.2581 169.4550 143.5314 154.7186 137.4293 161.8832 4.97_173.1290m/z 173.1290 4.97 3486.4561 3343.9864 3364.2593 3335.8486 3301.0428 3468.2066 4.97_245.1654m/z 245.1654 4.97 322.7567 308.6592 327.7891 313.8185 320.5510 337.8761 4.97_254.6327m/z 254.6327 4.97 149.7626 141.5282 148.0028 123.2414 147.9828 156.6236 4.97_287.1997n 288.2038 4.97 9568.5384 9479.3195 9398.9574 9331.9435 9390.8925 9516.3069 4.97_483.9402m/z 483.9402 4.97 804.4197 792.6145 846.5137 715.2433 741.6561 832.0318 4.97_484.2752m/z 484.2752 4.97 611.7783 607.6636 720.7875 534.7039 618.0706 651.0587 4.97_484.5977m/z 484.5977 4.97 260.6865 260.6863 293.3506 227.8744 263.2922 344.7948 4.97_488.3200m/z 488.3200 4.97 4359.6304 4288.8494 4098.5533 3829.3850 3790.6107 3824.7941 4.99_542.2517m/z 542.2517 4.99 253.6894 240.8237 261.5215 249.5029 257.9667 254.7584 4.99_542.7548m/z 542.7548 4.99 141.4648 156.0681 128.3327 131.3437 135.6817 135.0681 5.00_429.7752m/z 429.7752 5.00 135.7054 172.2458 181.2090 141.8759 142.4483 149.5587 5.00_449.7317m/z 449.7317 5.00 566.7022 611.7619 585.2189 541.4983 617.2627 584.6333 5.01_315.8629m/z 315.8629 5.01 335.4885 357.3464 386.0037 331.4925 363.1303 356.8593 5.01_328.5123m/z 328.5123 5.01 141.0208 133.4544 144.1245 149.4225 162.7446 165.5231 5.01_328.8573m/z 328.8573 5.01 77.4976 99.6735 101.3158 107.5528 149.7268 115.2690 5.01_373.2330m/z 373.2330 5.01 1411.6203 1469.4315 1690.6392 1455.5467 1635.2071 1577.6556 5.01_373.7345m/z 373.7345 5.01 479.8913 540.2981 581.0077 509.4034 586.7659 553.6578 5.01_430.2744m/z 430.2744 5.01 63.1695 85.4996 78.4668 73.5887 57.2211 70.5443 5.01_473.2909m/z 473.2909 5.01 1977.4625 2126.2737 2134.8338 1897.1291 1985.0238 2021.0522 5.01_473.7929m/z 473.7929 5.01 879.0436 972.8960 1026.3182 864.6190 913.8958 903.1983 5.01_492.2638m/z 492.2638 5.01 159.3104 161.8312 179.5836 153.1960 178.1681 176.9445 5.06_209.0138m/z 209.0138 5.06 324.7023 328.2989 255.7141 314.8402 323.3964 342.6300 5.06_403.2080m/z 403.2080 5.06 397.5031 391.4559 383.9399 375.3666 369.7304 414.1586 5.06_451.5689m/z 451.5689 5.06 292.3956 284.2506 319.3817 258.7950 270.2371 347.2026 5.06_451.9037m/z 451.9037 5.06 251.7313 287.2542 190.8258 275.2826 251.1130 286.9579 5.06_457.5733m/z 457.5733 5.06 780.8557 744.2286 797.3932 715.6227 767.5394 764.5254 5.06_457.9079m/z 457.9079 5.06 554.5657 569.4451 578.9411 578.2693 513.0100 586.3364 5.06_458.2380m/z 458.2380 5.06 244.2439 291.2761 227.1877 269.3446 308.2151 282.5596 5.06_677.3362m/z 677.3362 5.06 243.6302 176.8092 174.6758 189.0292 201.7030 196.1669 5.06_686.3566m/z 686.3566 5.06 163.6414 210.6947 137.3061 202.7142 202.6523 164.2849 5.07_105.0343m/z 105.0343 5.07 305.0079 298.4150 310.3372 315.9159 316.2462 321.1401 C7H6O2 Benzoic acid Benzoic acid 30746 MEDIUM 5.07_219.0509n 202.0476 5.07 1784.1133 1766.2595 1752.5682 1707.1638 1749.1667 1764.2287 5.07_235.0156n 236.0222 5.07 3206.7843 3201.9376 3335.6487 3221.7099 3277.2486 3412.9018 5.07_289.4777m/z 289.4777 5.07 1638.9345 1673.5772 1737.5887 1704.7284 1833.6717 1861.1546 5.07_289.8120m/z 289.8120 5.07 739.3219 696.0355 759.7614 759.0407 784.9436 785.2975 5.07_290.1469m/z 290.1469 5.07 242.9410 231.4413 198.2295 258.0859 224.2486 264.6187 5.07_313.6732m/z 313.6732 5.07 169.3357 185.8683 151.0335 155.5082 169.4559 186.3074 5.07_322.6781m/z 322.6781 5.07 438.0972 423.0800 444.1338 414.2701 458.2233 464.3138 5.07_330.1897n 313.1865 5.07 354.8114 331.6631 383.3663 349.5308 362.2907 395.2184 5.07_379.2184m/z 379.2184 5.07 123.1853 123.9473 123.8917 126.4830 136.4238 136.7770 5.07_406.2265m/z 406.2265 5.07 233.5844 229.2316 253.2992 216.3783 234.8896 254.7608 5.07_413.7317n 414.7390 5.07 7758.0328 7625.6039 7876.9049 7525.7545 7578.5056 8021.5833 5.07_415.2400m/z 415.2400 5.07 3199.5775 3196.6195 3222.4944 3027.0919 3174.9470 3371.3600 5.07_425.7297m/z 425.7297 5.07 769.6666 781.0417 692.7671 678.2178 705.8259 704.7230 5.07_433.7125m/z 433.7125 5.07 539.5822 493.9928 502.2368 461.5668 510.8604 552.2897 5.07_516.2902m/z 516.2902 5.07 721.2541 704.5448 731.2278 726.6549 696.7915 671.1387 5.07_685.8548m/z 685.8548 5.07 355.0556 346.9912 288.6770 304.6864 307.3877 318.2569 5.08_521.2559m/z 521.2559 5.08 561.8445 559.5763 572.1818 519.2158 524.3333 529.1813 5.08_521.5076m/z 521.5076 5.08 563.8011 564.1098 540.0797 565.5557 635.9450 637.1135 5.08_521.7579m/z 521.7579 5.08 330.8625 303.3308 370.8212 326.0452 299.9472 349.4116 5.08_522.0075m/z 522.0075 5.08 111.9400 91.3069 84.4437 108.1130 99.1052 131.8797 5.08_525.9195m/z 525.9195 5.08 202.8059 218.4033 178.5871 203.7674 238.9159 195.6148 5.08_526.2546m/z 526.2546 5.08 142.7435 160.6219 132.9978 109.8837 118.8663 187.6435 5.09_421.7255m/z 421.7255 5.09 247.0547 242.0602 222.3743 204.0211 240.0374 235.4830 5.10_467.4844m/z 467.4844 5.10 97.2240 89.7551 99.2103 103.5650 127.2004 149.0046 5.12_419.2505m/z 419.2505 5.12 1644.4975 1698.0785 1700.0250 1719.1710 1752.2904 1705.8609 5.12_419.8491n 442.8780 5.12 431.3756 444.6105 477.7750 429.4781 420.1883 461.1149 5.12_442.5430m/z 442.5430 5.12 558.2750 525.5612 635.9662 634.1135 555.7217 585.9398 5.12_494.2361m/z 494.2361 5.12 512.2291 501.2017 513.6795 480.6917 477.7823 529.3000 C25H32O9 Aurovertin D HIGH 5.12_540.7585m/z 540.7585 5.12 409.6205 478.2150 466.6728 505.9886 529.5679 513.7524 5.12_625.3306m/z 625.3306 5.12 506.5629 406.3611 373.4433 425.5827 391.4597 413.1686 5.12_644.3414m/z 644.3414 5.12 4869.0549 4574.2858 4395.3892 4648.2539 4541.0304 4605.4743 5.12_644.8394m/z 644.8394 5.12 1733.7602 1523.5668 1551.2835 1675.3197 1599.6135 1590.3515 5.13_227.1316n 211.1343 5.13 665.8110 634.6051 720.3905 743.0105 722.8769 744.5354 5.13_291.1460m/z 291.1460 5.13 2379.1438 2238.9803 2323.8650 2227.5689 2289.2275 2318.1153 C14H18N4O3 Benomyl 3015 HIGH 5.13_540.5062m/z 540.5062 5.13 343.9094 391.2799 456.9450 458.8044 471.3040 439.6477 5.14_121.0227m/z 121.0227 5.14 581.4484 569.8914 573.8558 562.0590 586.0050 562.4009 5.14_133.0295m/z 133.0295 5.14 248.2266 296.4242 290.8376 279.2795 319.3631 296.3089 C8H6O3 Phenylglyoxylic acid Phenylglyoxylic acid HMDB01587 HIGH 5.14_135.0439m/z 135.0439 5.14 395.1370 395.6269 413.2265 391.4653 384.2628 385.6633 C8H8O3 p-Hydroxyphenylacetic acid P-Hydroxyphenylacetic acid HMDB00020 HIGH 5.14_149.0237m/z 149.0237 5.14 2918.8298 2976.3541 3029.3507 2922.5043 2927.3455 3006.6441 C8H6O4 Terephthalic acid Terephthalic acid HMDB02428 HIGH 5.14_163.0392m/z 163.0392 5.14 9178.5430 9589.6055 9814.7241 9409.1079 9541.1721 9908.9692 C9H8O4 4-Hydroxyphenylpyruvic acid 4-Hydroxyphenylpyruvic acid HMDB00707 HIGH 5.14_177.9951n 160.9918 5.14 872.5558 858.8211 837.5493 811.2602 820.6851 821.7609 5.14_206.0717n 229.0212 5.14 1136.5852 1138.1520 1128.6150 1051.3139 1053.4775 1155.7645 5.14_221.9860n 204.9827 5.14 6250.2507 6310.4804 6411.4088 6217.2038 6433.4076 6409.1482 5.14_230.9952m/z 230.9952 5.14 383.9158 379.8085 394.0596 378.0125 371.0350 386.0461 5.14_242.0156n 265.0146 5.14 809.7014 813.6493 817.7043 759.1365 761.4710 777.3646 5.14_306.4653m/z 306.4653 5.14 126.8079 141.5346 158.3680 151.5589 163.8668 178.4426 5.14_312.1414m/z 312.1414 5.14 648.7370 623.4949 651.5097 620.6774 665.1945 649.0537 5.14_312.4756m/z 312.4756 5.14 238.3991 224.5663 248.6161 251.6125 241.5450 260.3787 5.14_334.0371n 335.0444 5.14 1407.0032 1498.5847 1565.9146 1505.4801 1417.7877 1526.3929 5.14_336.7070m/z 336.7070 5.14 789.0871 783.0289 795.7270 729.1950 716.5255 764.9986 5.14_337.2080m/z 337.2080 5.14 267.2160 272.8100 286.6573 253.4415 253.8372 254.0847 5.14_359.0064m/z 359.0064 5.14 318.5390 357.5407 352.7455 331.8355 302.4911 278.9747 5.14_370.0042n 371.0088 5.14 1601.4166 1629.0612 1682.0015 1632.3744 1622.3568 1631.7398 5.14_379.7127m/z 379.7127 5.14 539.3692 552.4592 553.1771 537.6567 551.5296 551.0469 5.14_384.9439m/z 384.9439 5.14 619.2600 607.6585 679.3748 632.7585 581.8487 706.5088 5.14_440.2216m/z 440.2216 5.14 748.3545 775.0336 742.1605 730.0661 755.8639 812.4944 5.14_440.7229m/z 440.7229 5.14 280.4506 298.4388 291.3016 261.3709 280.0268 299.4110 5.14_448.7345m/z 448.7345 5.14 4923.6378 4958.3574 5024.5409 4777.9864 4873.0532 4970.1489 5.14_449.2358m/z 449.2358 5.14 2048.2056 2008.8105 2076.4766 2051.6083 1946.0481 2028.7121 5.14_459.7247m/z 459.7247 5.14 752.6470 732.1638 771.1385 756.0139 728.4864 716.5379 5.14_467.7085m/z 467.7085 5.14 1129.6040 1006.3703 1029.4574 1046.8958 971.8022 981.1560 5.14_477.2504n 500.2685 5.14 6124.7572 6279.4005 6222.1293 6261.7598 6053.4728 5673.3557 5.14_500.6030m/z 500.6030 5.14 3615.8752 3674.3120 3803.8164 3743.4399 3762.2309 3295.1850 5.14_500.9372m/z 500.9372 5.14 1692.6133 1759.0447 1714.1926 1654.6804 1715.0097 1581.4067 5.14_512.9175m/z 512.9175 5.14 241.8661 308.4176 287.7839 325.2718 275.0502 243.4035 5.14_541.0098m/z 541.0098 5.14 233.2161 339.8445 381.5299 344.9155 348.4514 347.9751 5.14_573.3314m/z 573.3314 5.14 800.3720 735.8501 733.9548 752.3676 716.5171 713.5653 5.14_649.3548n 650.3620 5.14 758.6379 634.7803 634.9094 606.5035 687.0823 587.4460 5.14_764.4055m/z 764.4055 5.14 624.7226 682.2887 672.3552 702.3931 664.3999 675.7409 C41H64O14 Digoxin 4551 MEDIUM 5.15_398.6880m/z 398.6880 5.15 137.3103 132.1086 122.2488 128.9783 115.3515 122.0407 5.15_399.0041m/z 399.0041 5.15 269.5572 251.1938 203.1379 213.2153 202.3051 209.9418 5.15_442.2779m/z 442.2779 5.15 618.7112 615.3753 565.6340 569.2133 548.6847 588.4680 5.15_506.5850m/z 506.5850 5.15 422.7459 459.4024 389.6703 441.8997 428.0201 370.1928 5.15_506.9213m/z 506.9213 5.15 409.8775 375.2684 384.0284 382.8166 322.0884 391.0828 5.15_520.0644n 503.0612 5.15 1261.2415 1167.5942 1069.9749 1207.5333 1059.5281 1210.4645 5.16_143.0350m/z 143.0350 5.16 427.4545 388.9985 433.7468 407.0943 438.6246 419.3813 C6H6O4 trans-trans-Muconic acid HMDB02349 HIGH 5.16_173.0304m/z 173.0304 5.16 639.9837 603.8317 652.3965 615.7129 657.5432 639.7938 5.16_175.0343m/z 175.0343 5.16 860.0789 849.5338 864.4173 831.3299 817.3379 876.3741 5.16_186.0189n 187.0219 5.16 2325.2069 2349.6841 2399.3206 2314.1832 2380.5290 2464.2437 5.16_232.0262n 215.0229 5.16 3880.9921 3805.9384 3810.7017 3706.5789 3658.9156 3868.7150 5.16_316.0838n 317.0892 5.16 1702.4873 1703.3265 1670.4195 1732.3243 1618.1086 1774.2087 5.16_321.0613m/z 321.0613 5.16 671.7273 701.7830 634.5500 687.0785 635.1188 681.2288 5.16_322.9788m/z 322.9788 5.16 502.2512 493.8698 561.0211 467.0248 507.1749 484.8982 5.16_352.1860m/z 352.1860 5.16 325.1108 291.6149 319.3609 307.2260 279.0153 316.6224 5.16_355.0061m/z 355.0061 5.16 538.8771 555.9193 510.0961 534.2682 519.1150 491.4832 5.16_401.0420m/z 401.0420 5.16 328.3416 325.2878 250.3258 295.1063 287.9132 281.5521 5.16_434.9930m/z 434.9930 5.16 299.6891 303.8730 316.3592 257.4279 265.1736 293.5581 5.16_452.9269m/z 452.9269 5.16 310.5911 347.9722 298.1545 231.8172 290.0237 324.2872 5.16_484.0924n 467.0891 5.16 1807.2837 1833.7744 1764.1514 1831.7274 1729.2982 1779.9232 5.16_619.1305m/z 619.1305 5.16 327.9930 382.4987 301.9708 378.7010 280.1168 353.7713 5.17_166.0867m/z 166.0867 5.17 315.7879 317.8888 287.9494 287.1686 257.0209 334.6509 C9H8O2 trans-Cinnamic acid Trans-Cinnamic acid HMDB00930 HIGH 5.17_295.1300m/z 295.1300 5.17 1193.8232 1215.2907 1202.1787 1187.7616 1195.4083 1263.6678 C19H20O4 Benzyl butyl phthalate Benzyl butyl phthalate MEDIUM 5.17_302.0203m/z 302.0203 5.17 919.8601 981.5254 1031.9237 831.6541 831.1066 946.0640 5.17_351.6852m/z 351.6852 5.17 768.4772 887.1160 822.0258 752.2174 765.6334 812.1134 5.17_387.7035m/z 387.7035 5.17 323.1240 336.6743 325.8369 345.9709 287.1042 337.5064 5.17_708.1075m/z 708.1075 5.17 279.5104 264.4938 266.3482 263.9380 337.9860 246.6634 5.17_708.3602m/z 708.3602 5.17 398.0771 328.4500 387.6316 334.9287 395.1922 329.4189 5.17_708.6112m/z 708.6112 5.17 176.6207 238.1183 246.9982 272.7459 294.5890 221.4110 5.18_387.2018m/z 387.2018 5.18 933.3069 865.2676 912.8413 808.4409 925.5759 937.1571 5.18_398.1912m/z 398.1912 5.18 151.4351 120.7554 174.0965 154.9258 176.9795 129.1576 5.22_386.8156m/z 386.8156 5.22 629.5950 681.0267 665.4317 680.5249 714.6256 682.1485 5.22_387.4829m/z 387.4829 5.22 101.4196 138.8354 137.1075 138.2632 124.7793 114.3553 5.22_560.7451m/z 560.7451 5.22 8669.2803 8623.3434 8197.4805 8995.7912 8901.7002 8795.8458 5.22_561.2472m/z 561.2472 5.22 4524.2035 4679.2052 4385.6588 4836.1504 4616.1136 4581.0783 5.22_571.7360m/z 571.7360 5.22 1101.6432 1050.6297 816.6042 1140.5512 1071.6944 960.6578 5.22_579.7185m/z 579.7185 5.22 2306.9296 2308.8264 2092.0290 2434.8735 2345.0015 2286.9089 5.22_580.2199m/z 580.2199 5.22 1234.9147 1190.5437 1037.5663 1247.4665 1174.8605 1158.7761 5.22_587.2015m/z 587.2015 5.22 330.7087 349.4975 321.9299 351.7880 361.9007 343.5409 5.22_587.7037m/z 587.7037 5.22 278.1230 318.2692 234.7469 301.2350 283.0139 292.6360 5.22_589.2406n 572.2373 5.22 552.3409 534.6775 433.4152 546.5319 585.3226 478.0670 5.23_630.8321m/z 630.8321 5.23 262.9023 214.6357 222.4277 247.3896 269.6223 268.1168 5.23_631.3345m/z 631.3345 5.23 157.4480 133.2028 99.2858 147.9542 124.0103 117.8253 5.24_488.7656m/z 488.7656 5.24 298.6815 251.6258 285.0107 287.1649 291.2336 293.6103 5.24_489.2664m/z 489.2664 5.24 139.3778 142.6774 155.5720 143.5047 147.2897 167.1332 5.26_504.9381m/z 504.9381 5.26 396.9885 345.7395 402.6236 365.3960 393.7154 421.5029 5.27_264.1120n 287.1014 5.27 3817.1675 3881.1042 4033.3091 3818.4469 3907.6919 3982.5997 5.27_274.0410m/z 274.0410 5.27 399.3867 371.5854 394.7525 379.4950 415.6347 400.9349 5.27_349.0717m/z 349.0717 5.27 369.8365 354.1840 366.0030 398.1397 392.1598 391.3034 5.27_492.7191m/z 492.7191 5.27 500.1169 479.7531 426.3640 485.6596 536.9800 498.0605 5.27_493.2196m/z 493.2196 5.27 192.3875 196.5318 242.5948 223.8073 242.9623 239.6520 5.27_505.6098m/z 505.6098 5.27 61.6368 25.9995 44.3847 55.7184 107.9594 83.5122 5.28_130.0505m/z 130.0505 5.28 621.3445 612.0907 606.7132 583.9656 602.8870 582.7933 C10H10O Benzylideneacetone 217301 MEDIUM 5.28_259.0757m/z 259.0757 5.28 448.4393 506.1522 454.7441 453.6555 485.4103 518.6660 5.29_464.7657m/z 464.7657 5.29 343.3195 366.5963 356.0415 407.0072 395.4782 415.5058 5.29_478.2785m/z 478.2785 5.29 619.4664 612.3362 602.3928 579.7111 623.0565 616.0845 5.29_792.3745m/z 792.3745 5.29 421.7203 383.5350 331.0682 392.3024 360.6045 449.8524 5.29_792.7082m/z 792.7082 5.29 358.4760 388.8582 367.3063 339.5309 340.4164 404.7372 5.29_793.0437m/z 793.0437 5.29 266.3918 222.5547 201.8932 182.6031 199.6711 211.5451 5.30_362.8666m/z 362.8666 5.30 251.0498 236.7964 246.8196 250.2734 281.2729 284.0924 5.30_378.2093m/z 378.2093 5.30 12883.0380 12849.3743 13033.5619 13025.2225 13267.7517 13428.7696 5.30_397.6840m/z 397.6840 5.30 339.7395 352.7115 305.4595 332.0324 355.9076 362.4039 5.30_755.4097m/z 755.4097 5.30 1308.4349 1398.7337 1291.8136 1233.8040 1238.4225 1270.8918 5.31_231.1208m/z 231.1208 5.31 370.1834 385.0591 396.4918 391.0637 390.5894 456.5456 5.31_378.7109m/z 378.7109 5.31 5122.7634 5250.6944 5207.2958 5222.4904 5361.6413 5397.4759 5.31_393.7646m/z 393.7646 5.31 513.3062 483.1759 503.8630 522.7007 569.4323 566.2114 5.31_484.2665m/z 484.2665 5.31 265.3017 288.5796 294.2112 227.7517 270.1415 313.5883 5.31_484.6024m/z 484.6024 5.31 129.9342 162.4438 143.8613 141.0710 182.1353 177.1201 5.31_559.2881m/z 559.2881 5.31 2034.3533 2034.0238 2138.7499 2059.9555 2080.9204 2142.4919 5.32_328.6751m/z 328.6751 5.32 1780.0568 2029.1587 1872.4469 1899.7345 1991.1738 2016.5095 5.34_439.6976m/z 439.6976 5.34 143.4746 147.0857 134.5186 132.7258 137.7731 143.0375 5.35_387.2074m/z 387.2074 5.35 346.6172 345.5717 377.3831 411.4248 403.0044 371.9020 5.35_444.2515m/z 444.2515 5.35 1371.7440 1323.5899 1385.2751 1356.8770 1411.8605 1420.5151 5.35_444.7537m/z 444.7537 5.35 479.1298 550.7944 560.0916 558.9094 560.2862 567.2337 5.35_515.9397m/z 515.9397 5.35 456.9469 458.7198 461.5820 473.8446 411.2439 378.2493 5.35_516.6078m/z 516.6078 5.35 107.0462 142.6840 133.6678 129.3794 103.6723 89.0723 5.36_387.4580m/z 387.4580 5.36 296.5675 294.6098 284.2976 300.7409 274.2488 281.2189 5.36_387.7085m/z 387.7085 5.36 138.7790 113.3257 100.1632 124.2995 123.9315 139.8282 5.36_516.2743m/z 516.2743 5.36 327.7631 349.8263 371.8868 319.8011 288.4362 297.4046 5.37_320.6458m/z 320.6458 5.37 93.1791 101.8943 107.0495 80.1445 102.6418 76.6207 5.37_601.3319m/z 601.3319 5.37 1099.1053 1159.4963 1094.1808 1086.9748 1093.6930 1123.6533 5.39_364.2154m/z 364.2154 5.39 628.7210 559.0502 564.1289 536.7455 576.7061 621.0339 5.39_364.7167m/z 364.7167 5.39 195.5696 171.5373 219.9702 175.3278 169.3199 173.1494 5.39_421.7295m/z 421.7295 5.39 179.4506 185.0370 209.3744 201.5219 155.6590 195.4952 5.39_478.7726m/z 478.7726 5.39 255.4438 251.5665 276.0384 249.8629 242.9230 253.4551 5.39_532.2353m/z 532.2353 5.39 1231.0542 1173.9369 1180.7023 1153.5214 1248.9559 1143.4802 5.39_532.7383m/z 532.7383 5.39 834.5716 861.7603 849.3202 883.3110 822.9453 892.3234 5.39_550.2435n 551.2083 5.39 689.4259 644.2260 629.5748 639.9957 722.6638 634.8272 5.39_551.7094m/z 551.7094 5.39 204.4959 200.1380 180.6689 156.0456 175.3384 201.9969 5.40_336.6641m/z 336.6641 5.40 88.7122 86.5665 72.3770 71.0573 71.4431 94.5698 5.40_478.2700m/z 478.2700 5.40 608.6598 578.9554 557.1095 582.1104 555.7336 564.9452 5.41_474.5705m/z 474.5705 5.41 527.1871 464.8951 465.1843 457.6668 469.6896 473.3653 5.41_506.2424m/z 506.2424 5.41 274.2183 342.2040 353.5994 319.8854 344.0302 382.2014 5.41_506.4936m/z 506.4936 5.41 336.4534 344.8428 307.7158 312.4161 313.7101 395.7752 5.41_506.7440m/z 506.7440 5.41 155.1683 214.2046 186.2346 192.7146 171.4480 206.4931 5.42_318.1308n 319.1380 5.42 1884.7462 1701.9788 1688.9186 1612.6612 1610.2050 1926.4351 5.42_370.5075m/z 370.5075 5.42 129.1114 118.2908 141.8847 102.6808 126.8200 109.9344 5.42_370.8525m/z 370.8525 5.42 118.2262 114.9734 94.7806 141.9356 119.1339 105.8747 5.42_536.2841m/z 536.2841 5.42 785.4481 797.7116 827.1029 808.1351 868.9517 946.7944 5.42_536.7857m/z 536.7857 5.42 510.8478 502.3737 510.7615 462.7458 520.3019 475.5889 5.43_196.1219n 197.1292 5.43 2083.1379 2193.3399 2060.4988 2187.5605 2159.7257 2142.1704 5.43_235.1801m/z 235.1801 5.43 129.4070 196.8930 98.3227 262.3002 262.4895 376.3872 5.44_501.7389m/z 501.7389 5.44 171.3505 158.6639 158.2999 192.7552 193.0733 170.1289 5.45_289.8022m/z 289.8023 5.45 166.0112 147.1420 138.0601 152.5883 154.0371 171.9013 5.45_352.6972m/z 352.6972 5.45 411.2297 423.1009 459.0399 408.5314 428.4361 427.0859 5.45_375.5244m/z 375.5244 5.45 122.6771 101.6338 114.4835 108.5598 104.0857 105.5621 5.45_391.7122m/z 391.7122 5.45 273.5293 211.2155 220.3938 263.7018 244.1923 242.3826 5.45_392.2128m/z 392.2128 5.45 106.7595 97.5551 103.8714 117.1859 100.4379 96.1734 5.46_305.1583m/z 305.1583 5.46 4037.4698 3397.1135 3731.7538 3422.7259 3392.9630 4392.3995 5.46_321.1237m/z 321.1237 5.46 928.1031 821.9509 941.8928 827.4965 843.3561 1035.0940 C16H20FN3O4 Linezolid Linezolid 63607 MEDIUM 5.46_353.6734m/z 353.6734 5.46 152.8145 175.4416 160.6538 166.1415 154.3262 160.5268 5.46_406.1919m/z 406.1919 5.46 919.2588 908.0513 852.0181 945.7902 953.1061 953.3366 5.46_406.6932m/z 406.6932 5.46 396.0475 377.9720 394.3135 429.6528 346.4702 432.1904 5.46_415.1989m/z 415.1989 5.46 3508.4175 3666.6530 3576.5665 3497.4474 3445.1365 3681.1715 5.46_415.6996m/z 415.6996 5.46 1349.2362 1391.5529 1327.5772 1406.3439 1340.4219 1380.7732 5.46_434.1705m/z 434.1705 5.46 1282.8853 1289.9495 1339.6908 1327.8397 1258.7739 1335.2150 5.46_434.6716m/z 434.6716 5.46 432.1179 477.1870 455.0510 475.5215 447.8294 468.0993 5.46_562.7807m/z 562.7807 5.46 161.5887 169.6694 97.6597 125.7553 132.5936 100.6054 5.46_653.2948m/z 653.2948 5.46 521.3462 561.5805 451.2701 499.5528 505.1506 532.5576 5.46_723.3386n 724.3430 5.46 2157.3655 2052.4415 2025.9831 2001.2588 2039.3006 1956.1780 5.48_474.2077m/z 474.2077 5.48 1018.6516 1015.9163 1023.9196 1090.2029 1102.2567 1096.9398 5.48_474.4580m/z 474.4580 5.48 878.9144 935.3759 872.8724 962.2070 861.8410 1001.6465 5.48_474.7089m/z 474.7089 5.48 508.8258 449.4982 509.5954 475.2048 508.2777 499.8706 5.48_613.2886m/z 613.2886 5.48 623.7425 678.2720 661.8108 534.1815 784.0067 713.9883 5.48_613.6220m/z 613.6220 5.48 439.7946 460.8002 443.3575 409.4655 534.2600 504.9445 5.48_613.9558m/z 613.9558 5.48 255.8879 262.2026 252.3891 237.7432 318.9025 286.2872 5.48_619.9606m/z 619.9606 5.48 5938.7552 6313.3031 6262.5630 5935.9332 6228.0303 6550.1877 5.48_632.2757m/z 632.2757 5.48 2931.3943 3108.8764 2895.4556 2773.3025 2912.4241 3068.8834 5.48_632.6098m/z 632.6098 5.48 1409.4687 1418.5365 1465.7425 1342.1308 1509.3185 1463.4230 5.48_636.2953n 619.2920 5.48 15434.5215 16159.3820 15758.8685 15324.0855 15836.9404 16348.9575 5.48_636.6295n 619.6262 5.48 12294.9569 12780.9625 12632.8221 11880.6495 12805.7960 12837.2269 5.48_636.9297m/z 636.9297 5.48 702.7323 755.2798 744.8139 630.7979 723.1347 750.6762 5.48_639.9294m/z 639.9294 5.48 721.0807 791.3856 698.1324 721.8081 767.3259 745.8986 5.48_643.6221n 626.6188 5.48 2172.7294 2215.9954 2164.7257 1992.3614 2301.0739 2353.1281 5.48_643.9564n 626.9531 5.48 1665.6244 1726.5748 1594.3904 1529.7754 1596.1044 1744.1486 5.48_644.2851n 627.2818 5.48 1552.2579 1651.5939 1704.9082 1583.7507 1704.6395 1706.3946 5.48_648.9445n 631.9412 5.48 3502.1599 3558.7125 3367.7687 3233.5000 3424.8184 3659.1753 5.48_656.6059n 640.5962 5.48 539.6343 585.1581 640.9248 530.0688 529.3177 570.5436 5.48_676.0866m/z 676.0866 5.48 253.4440 211.5514 230.5617 185.7669 216.9028 226.6899 5.48_676.3310m/z 676.3310 5.48 537.4561 505.4821 479.1300 513.8526 533.9399 476.4894 5.48_676.5881m/z 676.5881 5.48 266.0816 279.1836 261.8151 195.4106 249.0866 216.0980 5.48_676.8281m/z 676.8281 5.48 219.2002 216.0891 203.2792 187.0862 225.8072 208.1830 5.48_820.3968m/z 820.3968 5.48 487.1333 461.3291 418.1949 445.8279 480.1054 471.1360 5.48_820.8979m/z 820.8979 5.48 304.8410 298.6467 272.4335 255.8179 320.5263 294.8938 5.48_928.4355m/z 928.4355 5.48 1494.4284 1493.1639 1411.4861 1388.5204 1397.4903 1411.4311 5.48_928.9360m/z 928.9360 5.48 1088.3339 1095.3674 1067.5848 985.7427 1068.6193 1031.7244 5.49_416.5487m/z 416.5487 5.49 218.2303 248.8938 248.1059 248.3123 231.8166 177.6689 5.49_416.8936m/z 416.8936 5.49 455.5142 505.1055 520.9080 511.4933 498.5300 491.0928 5.49_446.7412m/z 446.7412 5.49 77.4228 120.4752 112.6059 82.1643 62.5566 95.8724 5.49_579.7931m/z 579.7931 5.49 133.3997 197.2072 193.7293 189.6254 197.9067 166.7834 5.49_580.0442m/z 580.0442 5.49 90.2133 129.8278 154.6702 163.2199 143.9945 228.8850 5.49_580.2957m/z 580.2957 5.49 52.8077 113.2739 116.1941 113.2275 145.6348 150.3808 5.50_216.1387m/z 216.1387 5.50 323.5781 281.0033 304.3323 307.6527 311.4736 288.2269 C14H19NO2 Dexmethylphenidate HIGH 5.50_292.6461m/z 292.6461 5.50 223.0561 219.2312 246.6458 279.0674 245.5943 287.9072 5.50_304.2008m/z 304.2008 5.50 134.0194 120.9398 124.5678 127.9384 128.5593 136.9589 5.50_446.2375m/z 446.2375 5.50 269.5682 270.3419 225.3786 250.2087 221.8387 238.1740 5.50_461.4994m/z 461.4994 5.50 105.9037 133.1816 117.4294 118.6566 141.6991 127.2194 5.50_461.7489m/z 461.7489 5.50 95.9980 94.3402 133.9400 70.9355 104.9564 98.5886 5.50_531.2902m/z 531.2902 5.50 145.7993 162.4626 184.5325 214.9472 202.6373 171.6962 5.51_347.7172m/z 347.7172 5.51 1154.9336 1218.1952 1106.6064 1105.5309 1168.2105 1129.8101 5.51_348.2180m/z 348.2180 5.51 412.7386 419.9274 412.8633 438.1976 365.9306 395.8368 5.52_409.2426m/z 409.2426 5.52 203.6043 154.3945 221.4604 179.8364 198.0077 174.1875 5.52_409.5786m/z 409.5786 5.52 99.3692 103.3103 101.2753 100.7381 88.3280 104.8725 5.52_521.2952m/z 521.2952 5.52 152.0604 162.3556 108.6283 144.9873 179.3915 134.3741 5.54_420.2317m/z 420.2317 5.54 132.7004 127.4146 75.1772 114.8222 132.6734 120.8178 5.54_460.5448m/z 460.5448 5.54 115.1006 124.1961 84.5781 121.6686 112.4106 86.9916 5.54_509.7950m/z 509.7950 5.54 536.9831 438.9286 439.9230 503.5866 475.6730 424.9798 5.54_546.5955m/z 546.5955 5.54 218.7980 248.0441 202.2975 238.3816 258.3233 224.8978 5.54_546.9287m/z 546.9287 5.54 243.4666 218.4683 248.0850 205.1645 250.0630 220.4697 5.54_547.2633m/z 547.2633 5.54 127.7233 151.7119 107.8238 135.3776 141.2966 168.3299 5.54_690.3122m/z 690.3122 5.54 156.1944 182.2678 183.8265 163.4485 186.4874 171.8845 5.54_792.7013m/z 792.7013 5.54 152.2576 166.3926 149.0711 141.1784 148.7899 151.0125 5.54_793.0365m/z 793.0365 5.54 162.4469 145.1993 142.5839 103.9317 145.8038 125.5123 5.54_793.3715m/z 793.3715 5.54 130.1860 139.5307 121.3984 83.9051 108.1135 100.0334 5.55_299.1328m/z 299.1328 5.55 227.9659 234.9182 273.4759 269.0388 280.4302 256.7075 5.55_484.2687m/z 484.2687 5.55 682.2590 693.6839 587.7850 627.6517 710.7635 571.7543 5.55_484.6039m/z 484.6039 5.55 552.7815 564.4462 502.1790 519.9126 550.7150 506.9933 5.55_484.9376m/z 484.9376 5.55 222.3243 204.7911 176.4003 232.2341 176.2194 186.0358 5.55_559.3100m/z 559.3100 5.55 1508.7796 1543.8273 1460.8559 1498.0030 1489.7553 1507.3643 5.56_472.2783m/z 472.2783 5.56 1046.8704 1001.1440 970.4281 1004.6850 1003.7067 1038.8619 5.56_529.2760m/z 529.2760 5.56 1403.0488 1545.9871 1463.0174 1449.6647 1454.9348 1480.3823 5.56_529.6098m/z 529.6098 5.56 1132.4505 1249.7771 1240.7571 1239.6051 1184.0204 1204.3985 5.56_529.9436m/z 529.9436 5.56 525.8901 638.0991 531.2711 569.4234 578.5060 518.3119 5.56_585.2816m/z 585.2816 5.56 498.1892 534.6679 541.1297 517.1435 523.0686 537.5571 5.56_585.6153m/z 585.6153 5.56 377.1466 400.0379 457.1261 377.8548 377.1414 399.6360 5.56_585.9501m/z 585.9501 5.56 186.0304 201.4398 196.0236 185.0656 216.1995 186.7847 5.56_589.2816m/z 589.2816 5.56 396.6203 446.5099 395.2473 360.9404 424.3855 424.3654 5.56_589.6163m/z 589.6163 5.56 399.7142 401.0784 347.2936 354.1797 360.6020 412.1515 5.56_589.9495m/z 589.9495 5.56 153.6723 137.3672 117.4637 142.3732 141.9662 164.0318 5.59_164.9870n 165.9952 5.59 1006.0602 1084.1640 1055.8324 1081.3544 1039.4915 1051.0237 5.59_180.0109n 163.0076 5.59 1704.6485 1768.7390 1705.4991 1816.1677 1801.8000 1816.0122 5.59_232.9861m/z 232.9861 5.59 2574.6090 2684.2694 2557.8782 2501.1034 2450.8142 2505.1671 5.59_243.9724n 226.9691 5.59 5258.4604 5325.4881 5303.1708 5257.4968 5255.8255 5353.9465 5.59_258.9913m/z 258.9913 5.59 884.5705 908.0734 896.6046 848.2031 876.2537 891.9713 5.59_262.9923m/z 262.9923 5.59 504.3692 478.7049 506.6538 499.1461 476.8110 443.5497 5.59_282.9581m/z 282.9581 5.59 423.6809 352.6577 388.8718 353.4789 332.2107 348.6537 5.59_286.9986m/z 286.9986 5.59 872.0121 822.7154 801.2629 724.4383 697.2363 747.3123 5.59_442.9832m/z 442.9832 5.59 716.2562 736.1756 737.4485 751.8288 697.1987 743.1766 5.60_138.0667m/z 138.0667 5.60 1228.2688 1310.8432 1289.3864 1289.8733 1303.9891 1401.5425 C6H9N3O2 L-Histidine Histidine 15971 HIGH 5.60_194.0810n 195.0883 5.60 39698.0152 43219.4883 42483.6508 42707.8600 44252.0569 46098.4280 C8H10N4O2 Caffeine Caffeine HMDB01847 HIGH 5.60_274.6300m/z 274.6300 5.60 4354.2023 4349.4340 4395.7315 4212.8269 4378.2453 4387.1202 5.60_279.0425m/z 279.0425 5.60 631.2964 654.9585 686.8237 680.8059 689.1925 708.5469 5.60_282.6174m/z 282.6174 5.60 257.9162 255.5161 235.0443 232.6327 235.4389 248.7771 5.60_283.6446n 267.6396 5.60 563.7875 628.2765 607.8007 604.3833 610.4444 617.2929 5.60_284.0191n 302.0209 5.60 904.3580 815.6587 825.3383 760.5604 739.2945 834.3749 5.60_292.1347n 275.1314 5.60 1457.9093 1460.2745 1470.6397 1438.5048 1437.1084 1388.1553 5.60_308.1729m/z 308.1729 5.60 396.5165 432.0702 426.3399 457.4184 448.2009 443.2153 C14H18N4O3 Benomyl 3015 HIGH 5.60_318.1470m/z 318.1470 5.60 1437.0601 1472.4839 1445.6725 1473.4760 1503.6055 1432.0121 5.60_318.6480m/z 318.6480 5.60 452.1768 445.4195 467.3759 479.5109 455.5393 486.4910 5.60_346.0109m/z 346.0109 5.60 1351.7130 1310.6099 1328.6979 1089.4610 1052.5930 1270.4338 5.60_387.6107m/z 387.6107 5.60 203.4856 205.5079 208.9849 242.5256 231.7608 217.3419 5.60_421.2570m/z 421.2570 5.60 3015.0969 3107.6899 2943.7763 3080.8630 3243.2804 3072.5937 5.60_477.2141m/z 477.2141 5.60 585.9999 583.1514 603.6719 587.5032 537.4043 635.9424 C25H32O9 Aurovertin D MEDIUM 5.60_492.1878m/z 492.1878 5.60 327.9764 354.3431 317.7707 350.4778 371.0939 341.6431 5.60_492.6819m/z 492.6819 5.60 132.6044 141.9936 134.8733 131.0503 127.7210 119.9002 5.60_509.2972n 510.3045 5.60 98458.9473 99266.6302 98828.3474 97817.6407 96342.7029 100781.7302 5.60_534.2694m/z 534.2694 5.60 365.8150 339.3554 325.3882 356.6457 366.3909 345.3577 5.60_548.2521m/z 548.2521 5.60 750.6022 776.3177 810.5221 811.8900 797.5652 824.6103 5.60_597.3368m/z 597.3368 5.60 4088.9492 4074.0266 3982.9327 3848.2040 3788.4571 3872.4267 5.61_116.0714m/z 116.0714 5.61 637.8713 663.1161 621.5337 645.0336 611.9742 651.6762 C5H9NO2 L-Proline Proline 17203 MEDIUM 5.61_240.6513m/z 240.6513 5.61 216.9922 196.3915 193.8677 205.8194 188.7224 211.3540 5.61_398.1758m/z 398.1758 5.61 1127.0142 1137.1645 1135.2307 1156.1759 1179.5576 1132.1850 5.61_398.6682m/z 398.6682 5.61 590.5554 549.2332 557.6156 564.3787 605.9923 596.4624 5.61_508.2888m/z 508.2888 5.61 2868.3114 2942.0706 2952.8479 2966.0950 2887.4649 2963.3276 5.61_757.4009m/z 757.4009 5.61 1949.3689 1966.9265 1818.6526 1872.4995 1770.9993 1803.9577 5.62_265.7879m/z 265.7879 5.62 250.6076 278.9690 304.1647 284.3283 280.9378 276.5031 5.62_266.1224m/z 266.1224 5.62 133.4053 120.9808 154.1735 117.7241 123.2916 127.3624 5.62_321.6726m/z 321.6726 5.62 445.5002 417.2460 446.6969 455.4604 473.8555 470.8413 5.62_370.1992m/z 370.1992 5.62 1075.8965 1007.2114 970.5113 988.4044 1028.4006 1052.9692 5.62_370.7007m/z 370.7007 5.62 372.1169 388.7161 334.5558 389.2202 367.8090 386.5534 5.62_379.2050m/z 379.2050 5.62 4471.3927 4515.7580 4511.1969 4493.6466 4439.7941 4602.6694 5.62_379.7066m/z 379.7066 5.62 1906.0403 1959.2668 1944.5627 1976.3719 1900.4384 1961.3951 5.62_390.1950m/z 390.1950 5.62 1638.8608 1648.4953 1740.0146 1820.1543 1786.2605 1863.7711 C22H23N5O2 Roquefortine MEDIUM 5.62_390.6961m/z 390.6961 5.62 570.3348 567.7623 661.6302 628.5688 634.1757 663.6783 5.62_401.6846m/z 401.6846 5.62 508.1268 559.4525 538.3030 577.1806 540.2009 549.5677 5.62_506.6856m/z 506.6856 5.62 101.4536 86.0101 99.6796 60.5664 67.2387 115.0131 5.62_521.2085n 544.2342 5.62 434.2814 403.4082 381.7836 446.3052 353.2413 459.7547 5.62_544.5689m/z 544.5689 5.62 161.4972 130.3794 116.5957 127.1519 128.4908 136.2180 5.62_555.3024m/z 555.3024 5.62 1418.6036 1379.6962 1357.0412 1339.9966 1340.9357 1415.4829 5.62_642.3373m/z 642.3373 5.62 3521.8909 3354.5399 3387.1608 3391.9084 3411.9152 3388.3950 5.62_796.3738m/z 796.3738 5.62 1757.4617 1920.2004 1811.6466 1750.6085 1905.9654 1839.8839 5.62_796.8759m/z 796.8759 5.62 1255.3143 1294.7608 1223.9118 1125.9605 1228.5052 1249.5524 5.63_401.1882m/z 401.1882 5.63 1042.5586 1119.9367 1156.7820 1212.2040 1219.0026 1194.2072 5.63_412.6782m/z 412.6782 5.63 95.7034 97.9393 131.7484 165.8520 144.8017 159.5036 5.63_543.9002m/z 543.9002 5.63 372.8395 353.6221 325.9260 388.2493 434.9008 431.0951 5.63_724.3455m/z 724.3455 5.63 229.3217 282.8875 238.0332 222.8933 173.1550 205.5482 5.63_724.8455m/z 724.8455 5.63 126.4285 158.2448 183.9812 128.0608 132.5373 113.3768 5.63_916.2517m/z 916.2517 5.63 647.3118 738.9883 947.4893 926.5104 824.1848 889.8830 5.63_916.5845m/z 916.5845 5.63 475.0984 441.0284 662.8328 530.3353 412.9393 500.7871 5.64_475.5629m/z 475.5629 5.64 151.5364 128.6832 114.4468 175.5138 143.0137 150.8228 5.64_916.4183m/z 916.4183 5.64 657.4590 701.0452 853.9961 742.2643 642.2931 755.7902 5.64_916.7515m/z 916.7515 5.64 277.5435 258.4870 295.9413 270.3429 241.0146 271.5275 5.65_500.5971m/z 500.5971 5.65 3208.5538 3683.0253 3609.8243 3329.2132 3340.4595 3738.0005 5.65_500.9312m/z 500.9312 5.65 2247.6071 2757.0998 2733.5145 2693.2181 2524.1447 2742.2869 5.66_107.0280m/z 107.0280 5.66 237.1366 247.6019 251.2622 213.7113 241.7914 244.4770 5.66_293.6744n 276.6711 5.66 1490.8987 1654.0825 1614.8860 1643.7845 1557.6893 1650.4188 5.66_312.1899m/z 312.1899 5.66 217.5314 235.3477 239.3462 240.2451 227.3028 216.9286 5.66_344.6599m/z 344.6599 5.66 135.6783 147.3167 140.5056 136.6884 148.8432 139.3565 5.66_361.6507m/z 361.6507 5.66 239.3327 245.1689 228.9081 244.1903 234.4392 240.1140 5.66_374.6384n 357.6352 5.66 380.9602 445.8932 415.9223 372.6334 404.3516 408.7620 5.66_655.8385m/z 655.8385 5.66 167.3250 201.2185 176.6341 184.0850 198.4039 183.0631 5.66_667.3667n 668.3739 5.66 4838.9859 4802.4876 4653.3415 4723.2688 4575.5411 4634.8019 5.67_276.1698m/z 276.1698 5.67 3176.1564 3460.4921 3319.2891 3425.1586 3477.3004 3467.5608 5.67_290.1674m/z 290.1674 5.67 959.3976 1046.6984 1037.3179 992.0234 1003.8117 1044.7111 5.67_296.1362m/z 296.1362 5.67 285.9562 303.2637 314.8095 313.6986 290.5303 298.9510 5.67_307.6718n 325.6863 5.67 937.1293 972.8467 949.0546 994.3026 953.9280 944.7336 5.67_326.1867m/z 326.1867 5.67 244.0042 267.3545 282.0187 255.9815 253.0958 254.1525 5.67_333.6841n 334.6914 5.67 29387.7237 31075.5952 30816.1938 31156.5688 30414.5419 31464.1697 5.67_335.1928m/z 335.1928 5.67 10185.4186 10602.7503 10546.5095 10533.0341 10408.9531 10631.5530 5.67_337.6636m/z 337.6636 5.67 232.8361 226.4809 206.5303 219.8812 193.0056 219.2412 5.67_338.1652m/z 338.1652 5.67 109.6034 124.3765 92.5374 105.2510 99.4671 99.0677 5.67_345.6821m/z 345.6821 5.67 1776.5109 1874.2785 1735.7866 1874.6702 1822.5530 1823.1917 5.67_346.1836m/z 346.1836 5.67 745.4212 779.2266 786.4146 781.6627 662.3950 797.4092 5.67_353.6654m/z 353.6654 5.67 5777.9911 6029.8184 5977.3902 6206.4330 5993.5598 6004.7442 5.67_354.1673m/z 354.1673 5.67 1961.9831 2055.0115 2063.8000 2060.0096 2093.2663 2084.5514 5.67_356.1575n 357.1698 5.67 220.6915 225.7083 207.9830 242.8635 240.4353 260.8146 5.67_361.1469m/z 361.1469 5.67 222.1430 236.9536 187.7057 226.7082 223.3506 252.5149 5.67_381.6586n 365.6438 5.67 886.1839 921.1277 825.5061 860.2198 888.6693 908.2308 5.67_416.2290m/z 416.2290 5.67 411.1205 420.5847 387.6398 409.6845 371.6256 370.1518 5.67_466.2424m/z 466.2424 5.67 3391.1131 3544.4643 3509.3055 3389.2107 3445.5626 3524.2505 5.67_551.3314m/z 551.3314 5.67 1112.1147 1118.5372 1126.2853 1096.6499 1113.5939 1152.0309 5.67_578.3185n 579.3267 5.67 14651.3912 15161.8877 15171.3826 15190.8151 15039.4870 15109.8327 5.67_587.6195m/z 587.6195 5.67 326.0735 318.1798 364.0184 345.1340 330.2030 361.4892 5.67_588.2887m/z 588.2887 5.67 166.5028 142.4809 152.2880 149.1493 181.5292 141.0047 5.67_86.0975m/z 86.0975 5.67 205.6555 216.0648 176.6712 188.8004 201.6235 191.9398 5.67_90.0563m/z 90.0563 5.67 1918.8119 2037.0483 1975.4472 1996.3933 1923.3313 1985.7812 C8H10 p-Xylene p-xylene 27417 MEDIUM 5.68_176.0811n 177.0879 5.68 700.7326 735.0907 683.7499 708.4159 756.5448 707.8709 5.68_251.1511m/z 251.1511 5.68 355.6169 399.3788 368.7598 364.9774 358.1348 363.9741 5.68_330.6656n 348.6777 5.68 275.5013 270.0819 244.7128 270.3275 236.1557 224.3944 5.68_363.1777m/z 363.1777 5.68 1192.1673 1266.1145 1191.1004 1258.9745 1195.4707 1195.9901 5.68_458.5503m/z 458.5503 5.68 211.2252 245.9229 235.4696 223.2250 219.8710 274.4676 5.68_587.9538m/z 587.9538 5.68 337.0468 339.0851 318.5573 314.5622 303.2809 338.0335 5.68_592.8092m/z 592.8092 5.68 949.4799 989.7263 1014.9221 1092.5861 979.2337 956.8305 5.68_742.3540m/z 742.3540 5.68 2722.9462 2540.1643 2434.9775 2404.8556 2310.0951 2282.9552 5.69_313.1616m/z 313.1616 5.69 433.1287 447.3375 427.9790 427.1509 423.8827 419.0165 5.69_321.6567n 339.6719 5.69 246.5916 284.6564 243.7902 274.4285 237.3355 251.3683 5.69_327.1577m/z 327.1577 5.69 750.7517 711.6001 747.5768 762.4312 760.1627 696.4637 5.69_344.6625n 362.6761 5.69 2750.7246 2816.7116 2838.6552 2816.5703 2740.3335 2835.2176 5.69_371.6814m/z 371.6814 5.69 8936.2607 8963.9925 8908.3692 8969.3630 8642.0353 8670.3702 5.69_372.1827m/z 372.1827 5.69 3430.3981 3452.7181 3433.5636 3434.3940 3194.8739 3228.5335 5.69_382.6718m/z 382.6718 5.69 850.3389 895.4784 867.8335 906.8185 815.7068 853.5617 5.69_383.1720m/z 383.1720 5.69 501.6663 484.8702 444.5503 404.1044 446.9218 427.6472 5.69_390.6547m/z 390.6547 5.69 2208.0522 2208.0116 2175.7200 2158.0916 2158.0194 2096.9289 5.69_407.1802n 391.1577 5.69 1287.8755 1316.8985 1229.4540 1204.8407 1226.1619 1277.9514 5.69_458.8818m/z 458.8818 5.69 77.7646 87.7170 64.7638 54.4985 46.6136 91.1725 5.69_474.2385n 458.2159 5.69 649.5747 668.5612 614.0911 603.3822 649.8473 639.1732 5.69_566.2741m/z 566.2741 5.69 2829.1512 2738.9792 2822.6441 2753.8422 2678.1344 2681.8704 C33H37N5O5 Dihydroergotamine 4562 HIGH 5.69_593.3094m/z 593.3094 5.69 528.7990 570.7971 560.5031 549.8473 597.1561 578.5880 5.69_652.2980n 653.3063 5.69 5199.5497 5196.9384 5360.7501 5176.2400 5090.5386 5115.9658 5.70_397.2279m/z 397.2279 5.70 312.6253 504.1382 265.7438 571.8098 325.2523 617.8649 5.70_448.5695m/z 448.5695 5.70 72.7761 123.2191 88.6349 111.5476 86.8353 82.2284 5.71_263.1400m/z 263.1400 5.71 822.3551 813.9483 809.9920 743.9852 804.3293 797.6202 C11H22N2O3S Methionyl-Leucine Met-Leu HMDB28977 MEDIUM 5.72_563.8068m/z 563.8068 5.72 666.5776 616.1720 654.9621 665.9350 599.9356 671.7143 5.72_564.0563m/z 564.0563 5.72 281.9029 279.4550 354.8171 275.7987 282.9187 251.3294 5.75_563.5554m/z 563.5554 5.75 368.0713 336.2458 387.3679 343.9020 414.4337 409.6717 5.76_624.7987m/z 624.7987 5.76 169.4931 214.2218 171.8990 224.1199 246.5801 253.0659 5.77_215.1396m/z 215.1396 5.77 518.8547 535.7274 517.1707 541.1945 516.2079 547.5415 C10H18N2O3 Dethiobiotin Dethiobiotin HMDB03581 HIGH 5.77_353.2002m/z 353.2002 5.77 4476.9464 4554.5157 4438.7005 4508.6471 4446.8482 4792.6329 5.77_353.5343m/z 353.5343 5.77 1387.7311 1400.4322 1400.9266 1395.9440 1375.6548 1412.3200 5.77_365.8488m/z 365.8488 5.77 838.9904 840.1512 862.3566 880.8958 840.1603 874.8516 5.77_369.8692n 352.8659 5.77 8710.1780 8668.9350 8620.9357 8596.2381 8641.0842 9070.2873 5.77_478.8873m/z 478.8873 5.77 261.3016 250.2415 269.7742 235.4399 245.7958 283.9588 5.77_547.7691m/z 547.7691 5.77 418.2808 432.6135 376.4499 500.2890 453.2266 427.7434 5.77_548.2699m/z 548.2699 5.77 170.5364 181.7420 201.6863 200.8322 221.2336 207.2704 5.77_672.3643m/z 672.3643 5.77 410.8036 362.5045 415.9725 424.0979 427.2269 428.2617 5.77_698.8532m/z 698.8532 5.77 1669.4983 1591.2185 1690.4567 1578.7198 1557.4901 1720.3446 5.77_699.3542m/z 699.3542 5.77 1034.1062 930.0217 945.4864 985.5434 994.1446 995.8745 5.77_861.0540m/z 861.0540 5.77 342.4613 365.2540 375.1031 281.2423 377.1788 371.5965 5.77_861.2230m/z 861.2230 5.77 509.5929 603.3114 702.9051 643.6005 498.8735 555.8759 5.78_187.1444m/z 187.1444 5.78 892.9313 943.8958 990.1843 1004.6350 954.6925 1036.1450 5.78_346.1892n 364.2151 5.78 2736.0108 2912.0560 2700.1507 3008.2733 2986.5340 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2203.7771 2135.4186 2528.7118 2403.5645 2617.7862 5.78_478.7730m/z 478.7730 5.78 1118.3218 1187.4065 1211.8860 1294.9498 1255.0689 1362.0401 5.78_527.7874n 528.7947 5.78 8375.4249 8908.7518 8266.8391 9403.0256 8911.3304 9325.4259 5.78_529.2960m/z 529.2960 5.78 4101.0279 4254.5072 3968.1845 4588.6559 4329.7282 4459.9729 5.78_539.2939m/z 539.2939 5.78 946.4737 928.9561 858.2513 1020.6065 896.4573 995.0934 5.78_539.7848m/z 539.7848 5.78 585.7551 587.3674 565.2243 718.5081 603.2777 591.6035 5.78_861.3892m/z 861.3892 5.78 509.4568 429.6449 566.0013 521.7122 469.5693 450.3967 5.78_861.7232m/z 861.7232 5.78 101.6867 74.5963 227.5235 124.4920 112.9307 238.3370 5.79_362.2120m/z 362.2120 5.79 420.8036 411.1576 396.2920 403.4011 383.7541 397.8540 5.82_342.7074m/z 342.7074 5.82 218.2452 197.4198 214.1206 268.8782 257.5502 262.4954 5.82_385.4372m/z 385.4372 5.82 272.6144 320.3053 267.6577 314.3086 322.6447 394.0899 5.82_427.2235m/z 427.2235 5.82 463.1930 349.9926 448.8195 398.9793 450.9332 461.3675 5.82_427.5590m/z 427.5590 5.82 234.8111 202.3143 221.9817 172.5872 258.5754 238.9606 5.82_492.7497m/z 492.7497 5.82 181.7124 188.4443 144.4391 177.0387 194.5647 165.1838 5.82_494.9220m/z 494.9220 5.82 231.8167 164.9635 141.0603 259.6522 186.7947 139.1225 5.82_495.5466n 513.5804 5.82 455.6925 374.1996 395.3518 422.6823 399.3505 445.8252 5.82_500.9311m/z 500.9311 5.82 14321.0949 14489.7781 14063.3276 14793.4671 14286.5641 15429.3471 5.82_507.9227m/z 507.9227 5.82 200.7345 170.1068 193.4012 163.4092 181.2206 218.2765 5.82_513.2479m/z 513.2479 5.82 581.0001 590.5571 623.3810 591.3495 622.9208 696.3666 5.82_750.3914m/z 750.3914 5.82 223.0105 226.0457 227.3867 162.3123 193.2632 229.0117 5.83_447.2520m/z 447.2520 5.83 14976.7690 14869.4296 15056.9939 15042.9325 15413.3761 15802.4212 5.83_447.5863m/z 447.5863 5.83 1991.6618 1980.8698 2300.1007 2284.7136 2343.5951 2326.9168 5.83_459.9048m/z 459.9048 5.83 784.9871 836.1804 883.7651 863.7870 847.1165 832.1833 5.83_670.3738m/z 670.3738 5.83 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1160.1646 1139.6227 1167.6373 1169.4584 1124.6242 1245.8742 5.88_386.4320m/z 386.4320 5.88 75.5246 69.8313 95.3290 75.6659 78.4973 83.2712 5.88_491.2102n 514.2378 5.88 3028.2105 2942.7902 2961.1232 3023.8711 2814.5605 3025.5285 5.88_501.2546m/z 501.2546 5.88 24079.3712 24127.0177 23681.7744 23860.6084 23106.9395 24317.6952 5.88_502.9236m/z 502.9236 5.88 169.1879 191.9914 198.1563 191.6355 205.1688 232.1662 5.88_514.5713m/z 514.5713 5.88 980.1424 855.4553 905.8605 926.7480 804.6734 1004.2699 5.88_518.5919n 501.5886 5.88 16799.7778 16738.1991 16840.1997 16615.1114 16595.0539 16892.0008 5.88_518.8918m/z 518.8918 5.88 643.7425 598.2666 600.2869 652.8189 566.0620 640.7492 5.88_521.8921m/z 521.8921 5.88 549.1699 585.7408 550.5262 586.3910 547.4037 568.0570 5.88_522.5597m/z 522.5597 5.88 314.0349 298.7037 294.9425 313.0964 283.4021 288.2928 5.88_525.5850n 508.5817 5.88 1681.8981 1673.3921 1567.9033 1750.1634 1553.1795 1774.9307 5.88_525.9189n 508.9156 5.88 1221.6030 1158.0312 1117.1216 1129.0939 1106.8347 1262.7934 5.88_530.9069n 513.9036 5.88 2942.3808 2993.2009 2785.6587 2949.7322 2749.3258 3150.8457 5.88_564.7928m/z 564.7928 5.88 555.9187 648.9051 513.1656 493.7831 485.0999 605.4304 5.88_621.3358m/z 621.3358 5.88 3421.1286 3713.2257 3418.6595 3224.3247 3278.0928 3763.0682 5.88_621.8371m/z 621.8371 5.88 2055.8664 2165.1066 2031.5560 1807.0789 1882.5105 2190.4373 5.88_629.6333m/z 629.6333 5.88 4808.4086 5120.6635 5442.2263 5274.2893 5006.9778 5524.1372 5.88_685.8574m/z 685.8574 5.88 3006.5623 2953.7598 2797.5639 2584.1274 2651.9498 3002.8023 5.88_751.3782m/z 751.3782 5.88 3658.7208 3587.0159 3461.2632 3370.4418 3331.1890 3624.8606 5.88_751.8789m/z 751.8789 5.88 2194.0768 2177.3869 2070.9389 2123.7473 2065.9372 2219.3608 5.88_762.8714m/z 762.8714 5.88 209.3119 217.9298 181.9594 168.8247 177.0958 177.0220 5.89_467.9709m/z 467.9709 5.89 87.6177 153.2781 196.5604 181.9559 140.3795 193.0359 5.89_485.2515m/z 485.2515 5.89 116.5088 152.4451 143.9647 138.5957 82.0981 119.6114 5.90_415.2228m/z 415.2228 5.90 1371.9913 1259.4892 1273.9835 1180.6316 1180.8341 1351.3671 5.92_641.3044m/z 641.3044 5.92 295.7087 302.2296 274.7721 274.0448 312.2788 294.3378 5.92_641.8044m/z 641.8044 5.92 177.3702 191.3388 210.6818 168.2181 194.6199 209.7924 5.93_439.2672m/z 439.2672 5.93 562.5009 566.4728 566.4835 587.2211 573.1781 577.6949 5.93_476.2264m/z 476.2264 5.93 400.8151 383.4338 374.4308 379.2355 382.5946 407.7999 5.93_476.7278m/z 476.7278 5.93 182.5740 176.0201 169.8408 135.9910 157.2018 150.5061 5.93_982.7582m/z 982.7582 5.93 397.8632 312.1638 357.6015 339.4486 354.0007 433.6474 5.93_983.0901m/z 983.0901 5.93 351.5495 369.4241 393.9797 380.9989 459.8672 359.2410 5.93_999.4263n 982.4230 5.93 362.2407 335.4327 302.8972 406.1811 353.5336 327.9941 5.94_356.1946m/z 356.1946 5.94 1220.1922 1280.2464 1048.8980 1410.2554 1236.8029 1527.6300 5.94_547.7710m/z 547.7710 5.94 658.0820 725.9458 726.2982 757.7407 794.7441 757.3543 5.94_548.0211m/z 548.0211 5.94 682.7713 622.1730 667.3969 750.0769 724.1177 708.8778 5.94_548.2715m/z 548.2715 5.94 471.7134 482.6436 507.2849 472.4166 547.4170 508.8660 5.94_548.5222m/z 548.5222 5.94 146.2402 154.1754 182.4075 196.3853 170.7327 244.0325 5.94_730.0242m/z 730.0242 5.94 59.1099 101.0504 68.6608 93.6464 80.8530 41.5826 5.95_332.6672m/z 332.6672 5.95 85.7724 100.7884 87.3613 81.2510 87.0915 101.9846 5.95_355.8604m/z 355.8604 5.95 1991.4850 2291.2947 1837.7964 2349.0398 2184.0454 2487.0246 5.95_356.5286m/z 356.5286 5.95 375.9486 406.2524 277.7383 422.6399 331.8065 465.6882 5.95_585.6391m/z 585.6391 5.95 265.1320 256.5393 222.1840 241.5541 228.8109 252.9719 5.97_244.1796n 245.1869 5.97 4260.9540 4313.0790 4097.2404 4280.1238 4114.2842 4268.3699 5.97_86.0975m/z 86.0975 5.97 742.8548 754.3343 772.6533 786.0380 758.9479 768.1019 5.98_171.0996m/z 171.0996 5.98 4646.6083 4297.0060 4822.9475 4414.3161 4753.5355 5013.6251 5.98_362.1568n 363.1640 5.98 2150.2806 2167.2714 2271.3125 2083.4722 2190.5142 2332.1350 5.99_233.0698m/z 233.0698 5.99 1671.4630 1480.2306 1678.5389 1575.8478 1628.5029 1730.7158 5.99_351.8782m/z 351.8782 5.99 229.4291 206.6962 241.2480 240.8293 235.5301 243.9157 5.99_379.1295m/z 379.1295 5.99 607.9019 561.6175 612.8143 574.6409 596.8988 681.8534 5.99_408.5804m/z 408.5804 5.99 712.0797 709.6954 729.9006 699.4607 732.6299 806.0442 5.99_408.9142m/z 408.9142 5.99 539.8857 524.5336 516.6535 499.4972 548.8087 541.5630 5.99_555.8223m/z 555.8223 5.99 267.0838 247.3636 255.9657 225.6807 202.2104 190.6025 5.99_612.3663m/z 612.3663 5.99 339.9662 309.4474 339.3043 318.2912 296.2360 321.7589 5.99_612.8661m/z 612.8661 5.99 188.0424 204.4294 193.6803 158.2710 186.5136 170.1825 6.00_156.0124m/z 156.0124 6.00 515.9060 482.6497 478.6353 513.4210 498.8452 493.4362 6.00_253.0532n 276.0424 6.00 18155.1013 18215.5374 18652.4458 18262.4248 18876.8903 18646.7243 6.01_183.5805m/z 183.5805 6.01 47.0145 34.5439 43.2544 42.7006 60.3063 58.2946 6.01_349.1844m/z 349.1844 6.01 6169.3911 5768.9172 5991.4299 5594.9885 5749.8811 6530.9426 6.02_500.9249m/z 500.9249 6.02 225.5815 235.4233 207.2598 230.8425 271.7919 234.0972 6.04_453.9248m/z 453.9248 6.04 208.2594 250.3956 213.3026 247.6008 235.8781 278.6110 6.04_454.2588m/z 454.2588 6.04 108.3784 121.8828 130.2483 132.7650 115.7776 145.2566 6.05_502.5829m/z 502.5829 6.05 88.2620 75.7898 68.2278 92.9619 81.6407 95.8460 6.06_146.0606m/z 146.0606 6.06 416.6994 442.4119 429.7041 395.3074 356.8484 435.7909 C9H9NO2 4-Acetamidobenzaldehyde 4-Acetamidobenzaldehyde MEDIUM 6.06_217.0393m/z 217.0393 6.06 556.2962 555.7256 612.2982 572.9108 587.8598 544.4891 6.06_585.6091m/z 585.6091 6.06 836.3453 713.9579 904.0111 938.3642 805.9447 895.3782 6.06_585.9442m/z 585.9442 6.06 654.3959 579.7174 681.6712 731.4769 625.0713 664.2480 6.07_227.1536n 211.1310 6.07 1102.3209 1120.9620 1175.0652 1131.1145 1243.8418 1672.7924 6.07_273.1016m/z 273.1016 6.07 467.8083 505.5219 496.8507 477.2955 530.6100 492.1768 6.07_419.7065m/z 419.7065 6.07 1993.1478 2014.6897 2116.5852 2115.8680 2005.4406 2258.2166 6.07_419.9568m/z 419.9568 6.07 1829.8088 1926.1749 1986.1355 2047.9634 1969.4417 2058.9822 6.07_420.2078m/z 420.2078 6.07 1156.5278 1098.6193 1151.6762 1167.0405 1111.3096 1200.0739 6.07_420.4586m/z 420.4586 6.07 381.2891 347.8947 341.4159 339.5588 353.4904 389.9803 6.07_507.9140m/z 507.9140 6.07 1741.2778 1713.8363 2083.8036 2096.3479 2040.6634 2089.0784 6.07_508.2488m/z 508.2488 6.07 1307.3143 1297.8559 1522.0091 1419.6996 1469.4819 1433.3197 6.07_508.5830m/z 508.5830 6.07 584.2521 526.9969 626.7505 652.4871 659.6712 622.7069 6.07_559.2728m/z 559.2728 6.07 2820.1213 2930.1008 3203.3062 3254.7912 3293.1622 3203.7210 6.07_559.5814m/z 559.5814 6.07 4341.5856 4366.2203 4647.2659 4761.6809 4911.4710 4672.3190 6.07_559.9408m/z 559.9408 6.07 1150.0804 1115.0734 1093.6625 1127.2925 1149.5481 1072.2238 6.07_586.2778m/z 586.2778 6.07 405.4100 405.9449 434.0940 428.1053 436.2934 429.2264 6.07_648.6085m/z 648.6085 6.07 690.9167 716.1728 720.6723 821.9995 727.3074 787.1517 6.07_648.8588m/z 648.8588 6.07 910.9883 1027.4316 981.4411 952.1991 1075.4828 995.7915 6.07_649.1101m/z 649.1101 6.07 636.0929 674.0244 714.0078 734.6973 632.6652 723.2030 6.08_210.1238m/z 210.1238 6.08 197.1841 224.1604 194.4731 215.6533 212.2563 199.6561 6.08_329.6705m/z 329.6705 6.08 524.1846 464.5052 451.1199 452.6891 466.3343 479.3974 6.08_330.1716m/z 330.1716 6.08 176.2465 159.5356 157.2930 166.0142 181.3456 192.1670 C19H20O4 Benzyl butyl phthalate Benzyl butyl phthalate HIGH 6.08_353.5236m/z 353.5236 6.08 1040.8487 966.5641 984.6937 1016.6295 1130.9385 1254.9370 6.08_353.8587m/z 353.8587 6.08 761.4107 752.9681 739.6267 831.9161 865.7816 874.4822 6.08_367.5104m/z 367.5104 6.08 209.9525 192.5967 196.7202 240.6596 252.1517 220.8560 6.08_371.1954n 372.1763 6.08 1089.1138 1096.7269 1071.2109 1108.6221 1151.3780 1244.2604 6.08_372.5107m/z 372.5107 6.08 505.9457 477.6014 509.6345 488.7899 492.5219 536.0627 6.08_372.8482m/z 372.8482 6.08 238.5159 250.3806 245.2253 262.1487 284.0654 334.8520 6.08_376.8633n 359.8600 6.08 244.1388 189.5677 227.6579 190.5023 255.4161 319.6615 6.08_385.2457m/z 385.2457 6.08 2661.6918 2553.7801 2532.3928 2560.8666 2587.7730 2626.9409 6.08_423.2500n 424.2301 6.08 471.3643 440.1635 427.8811 489.2602 501.0456 458.2931 6.08_429.4441m/z 429.4441 6.08 191.8426 161.9277 153.7877 164.7351 170.3698 157.7105 6.08_506.2743m/z 506.2743 6.08 258.2255 253.3614 275.2153 286.7423 280.3034 281.6431 6.08_537.7799n 538.7871 6.08 13880.8500 13338.8137 14454.8265 15173.5852 15546.2042 14910.3627 6.08_539.2882m/z 539.2882 6.08 7943.3512 7844.4308 8377.9334 8674.7424 8811.8731 8427.1071 6.08_549.7781m/z 549.7781 6.08 1531.8484 1527.0002 1605.9236 1721.4164 1862.3683 1741.2703 6.08_550.2787m/z 550.2787 6.08 842.1798 766.9727 788.1725 879.7117 951.2469 959.6139 6.08_571.2983m/z 571.2983 6.08 723.3415 693.5134 704.6810 707.0896 829.9917 744.8889 6.08_736.8627m/z 736.8627 6.08 914.0171 821.0876 742.1484 807.9734 949.0367 1094.2201 6.08_737.3641m/z 737.3641 6.08 987.6342 986.0231 941.2573 897.9080 1019.1020 1159.2161 6.08_737.6147m/z 737.6147 6.08 517.4497 519.6738 455.3905 502.0303 573.9947 598.7026 6.09_168.1025m/z 168.1025 6.09 364.1842 387.1129 391.3172 370.0493 369.5077 358.8153 C9H13NO2 Ethinamate 4884 HIGH 6.09_289.1324n 290.1397 6.09 14581.0629 14692.8190 15451.2509 15003.5368 15287.4473 14818.9341 6.09_388.8360m/z 388.8360 6.09 98.9224 108.5742 146.4763 146.3436 129.9840 111.5301 6.09_532.0332m/z 532.0332 6.09 734.3217 644.2445 737.2256 702.8552 698.2643 706.9873 6.09_532.2822m/z 532.2822 6.09 317.1346 270.0681 333.7062 308.8340 337.6405 356.0293 6.09_589.6909m/z 589.6909 6.09 645.6736 633.5356 583.7909 599.1333 734.4359 711.5587 6.09_589.8920m/z 589.8920 6.09 923.9460 923.9355 841.9269 980.5792 1024.7319 1160.3783 6.09_590.0921m/z 590.0921 6.09 756.0139 777.7833 586.0353 721.7537 862.6094 935.1820 6.09_590.2926m/z 590.2926 6.09 402.9580 399.4875 373.0378 311.4276 421.5105 444.4450 6.09_709.0423m/z 709.0423 6.09 984.0028 886.5248 934.8790 857.9642 958.3152 994.1559 6.09_737.1133m/z 737.1133 6.09 1215.2382 1154.6595 1017.2540 1132.9201 1345.4355 1449.9664 6.10_363.5116m/z 363.5116 6.10 498.9504 532.6457 562.7849 508.4083 533.4873 563.4877 6.10_369.5145m/z 369.5145 6.10 270.1836 300.8794 259.4499 255.4048 308.3135 313.6610 6.10_369.8481m/z 369.8481 6.10 233.8650 184.9377 226.6692 226.1260 252.9179 197.9094 6.10_375.5188m/z 375.5188 6.10 1295.8077 1373.6551 1304.2810 1357.4230 1433.4133 1380.5454 6.10_376.1894m/z 376.1894 6.10 307.4310 321.9568 342.0636 331.7425 343.2882 319.1929 6.10_388.1672m/z 388.1672 6.10 397.9914 353.9588 351.5397 377.8004 367.5466 414.9878 6.10_388.5020m/z 388.5020 6.10 220.6357 204.3017 206.0290 200.3143 178.8365 242.3116 6.10_531.5317m/z 531.5317 6.10 1094.4959 1043.9214 1234.4945 1066.8899 1127.2780 1121.7555 6.10_531.7791m/z 531.7791 6.10 1621.4603 1519.0691 1569.9837 1533.9627 1536.7580 1709.6928 6.10_541.5193m/z 541.5193 6.10 158.2261 174.4496 161.1006 200.0859 159.6243 110.7995 6.10_562.7767m/z 562.7767 6.10 2579.9344 2430.6767 2854.4381 2639.5175 2762.5269 2601.4450 6.10_563.2782m/z 563.2782 6.10 1242.5494 1228.1060 1399.1992 1349.6634 1342.4683 1274.2606 6.10_581.7454m/z 581.7454 6.10 234.9579 239.0402 228.2243 204.4905 226.5536 245.8216 6.11_541.0187m/z 541.0187 6.11 243.0466 263.3032 301.5097 252.3924 281.5996 233.9211 6.11_708.7078m/z 708.7078 6.11 1758.2115 1624.8133 1766.7498 1778.7555 1720.6569 1749.3597 6.12_215.1254m/z 215.1254 6.12 353.9278 344.7457 350.6143 355.6825 352.5286 500.1066 6.12_386.7952n 404.8290 6.12 1255.2545 1207.0250 1284.7827 1261.4380 1340.8263 1340.7383 6.12_387.1291n 405.1629 6.12 360.4413 452.6729 392.0561 428.8962 410.3165 450.9641 6.12_399.8321m/z 399.8321 6.12 213.1304 189.8255 218.5567 178.1116 217.8997 217.4806 6.12_400.1664m/z 400.1664 6.12 104.4230 92.0486 62.1570 81.3049 67.6980 103.8324 6.12_404.4947m/z 404.4947 6.12 1689.6054 1650.4716 1640.7297 1649.2537 1696.4891 1738.2781 6.12_560.5609m/z 560.5609 6.12 224.9311 239.7548 126.5083 250.3091 277.9184 278.4110 6.12_578.2603m/z 578.2603 6.12 250.0414 189.8502 231.5517 245.6136 189.8437 224.0857 6.12_582.2716m/z 582.2716 6.12 221.4780 219.8741 241.0033 205.4802 259.7660 190.3576 6.12_586.2566n 587.2638 6.12 2792.7387 2935.7631 3004.8166 2833.4603 2953.4559 2979.6791 6.12_586.7599n 587.7650 6.12 1642.2758 1628.3088 1844.9886 1752.4745 1839.0457 1838.9175 6.12_595.7623n 613.7231 6.12 420.0914 369.7268 367.1668 441.5438 465.5284 449.0121 6.12_598.2546m/z 598.2546 6.12 2069.1017 2024.5041 2049.0300 2036.9438 2146.1474 2146.7429 6.12_598.7551m/z 598.7551 6.12 1118.5031 1103.8038 1206.1784 1166.5467 1240.0798 1193.3466 6.12_606.2386m/z 606.2386 6.12 902.4830 926.9055 971.7523 979.5409 1031.9138 966.2351 6.12_606.7410m/z 606.7410 6.12 503.6978 495.5459 482.6817 551.3593 544.0385 495.2286 6.12_708.3731m/z 708.3731 6.12 1919.4142 1768.8281 1903.3782 1819.9023 1886.5437 1943.9301 6.12_746.0735m/z 746.0735 6.12 278.2654 262.9986 239.7514 244.2231 284.3585 329.2097 6.12_746.4061m/z 746.4061 6.12 100.9293 125.2633 102.9639 197.8330 155.3559 141.1364 6.13_501.9165m/z 501.9165 6.13 1436.9663 1422.5255 1416.8312 1415.6229 1480.1247 1419.1462 6.13_502.5848m/z 502.5848 6.13 192.1598 208.9180 220.9449 215.8865 227.9398 205.4742 6.13_559.8072m/z 559.8072 6.13 2726.4441 2679.9330 2790.6741 2868.0384 2986.8562 2990.9629 6.13_560.0583m/z 560.0583 6.13 1569.6596 1581.5895 1665.7968 1578.7790 1743.6230 1779.4262 6.13_560.3058m/z 560.3058 6.13 965.3040 918.1742 879.9444 939.2105 900.4745 898.5521 6.13_745.7391m/z 745.7391 6.13 227.5241 225.9959 233.7605 302.2357 274.6783 240.9703 6.14_409.5649m/z 409.5649 6.14 402.1318 391.1810 350.5701 383.5793 391.4505 431.9341 6.14_497.7744m/z 497.7744 6.14 174.5488 150.9671 150.3403 201.5919 171.4278 147.4304 6.14_514.2314m/z 514.2314 6.14 218.6489 225.6598 215.9438 255.4133 197.1278 177.0624 6.16_484.7651m/z 484.7651 6.16 522.7635 478.1727 527.3677 498.3790 516.5337 524.8089 6.17_500.9242m/z 500.9242 6.17 264.4216 217.3338 199.9734 276.6060 241.5471 311.9996 6.17_501.2590m/z 501.2590 6.17 298.6721 240.6239 230.1764 255.4778 260.0708 270.6516 6.18_484.2362m/z 484.2362 6.18 438.9515 388.8147 433.2882 449.6607 450.6133 420.9073 C27H33NO7 Cytochalasin E MEDIUM 6.18_577.9848m/z 577.9848 6.18 71.6397 91.6616 121.4913 101.5418 70.5344 73.6246 6.18_621.8083m/z 621.8083 6.18 5548.1450 5209.6539 5429.9116 5709.3765 5956.8455 5589.5855 6.18_622.0581m/z 622.0581 6.18 5939.7336 5727.0925 6060.9036 6193.1078 6330.3772 6373.6316 6.18_622.3093m/z 622.3093 6.18 4237.7442 3902.9485 4187.4831 4577.5266 4628.6644 4491.7045 6.18_627.7980m/z 627.7980 6.18 127.3178 142.8755 137.9004 82.9796 148.1839 157.6724 6.18_631.2944m/z 631.2944 6.18 358.4445 365.2588 391.7785 379.3346 372.1240 427.3966 6.18_631.5444m/z 631.5444 6.18 388.7187 364.2139 444.1014 445.0868 425.8662 456.1647 6.18_631.7955m/z 631.7955 6.18 329.3380 251.7829 333.9926 330.3226 335.8204 321.0245 6.18_828.7411m/z 828.7411 6.18 1145.4787 1223.3711 1110.5391 1168.9380 1081.5211 1164.6767 6.18_829.0748m/z 829.0748 6.18 1209.6787 1081.9036 985.4551 1209.0833 1201.2944 1179.5438 6.18_829.4099m/z 829.4099 6.18 777.3089 795.5249 741.7360 774.6443 752.0465 752.2864 6.19_463.5683m/z 463.5683 6.19 110.6468 133.0258 129.8937 166.5383 133.6032 172.3244 6.19_531.2511m/z 531.2511 6.19 637.7907 676.2819 712.1337 811.9364 785.4837 753.5402 6.19_617.8005m/z 617.8005 6.19 161.2126 137.7340 134.8576 169.2450 169.9810 184.5118 6.19_635.2860m/z 635.2860 6.19 156.6443 148.6483 158.5496 176.7866 113.7880 215.7554 6.20_260.1862m/z 260.1862 6.20 1159.8700 1232.8474 1324.8860 1218.6431 1246.0853 1140.9161 6.20_457.7151m/z 457.7151 6.20 98.4925 124.3402 154.5769 148.5870 171.4385 180.5713 6.21_496.2387m/z 496.2387 6.21 262.4827 232.6949 271.9183 301.7651 267.9520 317.1779 6.21_496.7419m/z 496.7419 6.21 181.3062 148.8012 141.5266 150.0764 162.2346 154.6398 6.24_448.5657m/z 448.5657 6.24 88.1169 90.6488 98.3008 117.9474 84.0172 88.7579 6.25_207.0991m/z 207.0991 6.25 185.3040 188.6469 182.3707 121.7858 201.9316 114.4386 C12H17NO3 Cerulenin Cerulenin 171741 MEDIUM 6.25_448.8971m/z 448.8971 6.25 69.6985 69.3460 80.8706 53.6987 52.5043 82.7981 6.25_526.9036m/z 526.9036 6.25 382.2012 433.0387 433.3091 401.4774 306.0479 405.2114 6.25_527.5709m/z 527.5709 6.25 96.4099 139.1503 103.2084 128.2923 128.4347 123.2504 6.25_568.7904m/z 568.7904 6.25 129.3425 179.4636 102.3785 107.2275 197.6005 191.1872 6.25_569.0415m/z 569.0415 6.25 133.4272 165.6174 76.8882 130.0005 174.6004 187.2873 6.25_569.2908m/z 569.2908 6.25 136.1156 164.8834 83.7261 105.3540 60.7435 152.5647 6.26_215.1256m/z 215.1256 6.26 477.7150 502.7172 478.4464 447.9819 511.3239 567.3661 6.26_527.2385m/z 527.2385 6.26 307.3310 328.5673 343.2668 336.2875 321.0798 343.4401 6.29_552.2466m/z 552.2466 6.29 643.3383 632.1591 671.5532 633.7255 642.5661 664.8124 6.29_575.8188m/z 575.8188 6.29 332.1536 465.9235 234.9111 545.8377 397.4425 478.8636 6.29_626.2709m/z 626.2709 6.29 82.2711 90.5137 114.4504 127.3726 118.8276 85.6046 6.29_919.4297m/z 919.4297 6.29 393.6308 339.1610 321.5195 363.1601 350.3090 318.7593 6.31_506.0327m/z 506.0327 6.31 2171.9805 4675.0593 2856.1356 6241.2393 5644.5834 7743.4370 6.31_506.5341m/z 506.5341 6.31 4791.4114 5692.3325 3312.6049 6161.8584 5429.5588 6825.8496 6.31_575.5694m/z 575.5694 6.31 240.3331 297.2453 244.6631 404.8139 322.5712 445.8302 6.31_576.0692m/z 576.0692 6.31 120.1813 179.2101 165.1754 261.1748 182.3542 281.7716 6.32_431.7428m/z 431.7428 6.32 566.8784 551.2765 573.1522 629.7821 597.7638 567.4779 6.32_432.2449m/z 432.2449 6.32 314.7051 342.3329 316.7332 312.5966 308.7032 362.8306 6.32_537.5820m/z 537.5820 6.32 131.9398 160.4253 144.5465 140.0033 158.3705 178.5339 6.34_256.0159m/z 256.0159 6.34 224.6050 253.3147 239.1658 233.4581 227.6327 230.6481 6.34_450.7444m/z 450.7444 6.34 2791.3247 2942.9746 2937.7832 2811.1780 2916.5439 2846.6240 6.34_451.2456m/z 451.2456 6.34 1190.5815 1294.5471 1219.4679 1213.7799 1293.8072 1173.0414 6.34_461.7354m/z 461.7354 6.34 297.4337 323.0767 292.1148 263.8967 287.8308 290.1063 6.34_462.2357m/z 462.2357 6.34 77.4437 101.8295 68.6731 88.1987 73.2485 102.7278 6.34_469.7185m/z 469.7185 6.34 237.3757 258.4128 244.1835 279.1017 299.6820 302.9426 6.34_686.3485m/z 686.3485 6.34 584.5227 594.9733 552.0949 600.9724 696.3062 657.5613 6.35_388.7305m/z 388.7305 6.35 73.4464 77.3898 78.2208 68.5722 111.8325 97.8382 6.35_576.3231m/z 576.3231 6.35 129.8501 190.5721 175.0734 261.4215 166.9444 201.9025 6.35_674.7089m/z 674.7089 6.35 902.7242 1211.1545 670.9878 1503.9332 1294.0807 1613.4645 6.35_737.3591m/z 737.3591 6.35 163.3267 202.8730 176.2713 198.8396 161.5947 197.1595 6.35_737.6110m/z 737.6110 6.35 147.4750 135.7551 204.2756 84.2078 210.8052 201.5297 6.36_506.2824m/z 506.2824 6.36 9930.2269 11563.3202 7824.2864 12600.5401 11060.8655 13699.5450 6.37_264.1585m/z 264.1585 6.37 245.0247 238.9756 217.9611 234.7595 245.2704 274.5888 6.37_339.1798n 322.1766 6.37 2181.0038 2125.4473 2073.5978 2146.5389 2130.7178 2350.4867 6.37_348.5266m/z 348.5266 6.37 2678.6406 2773.1054 2571.8424 2768.7926 2674.2514 2973.5167 6.37_365.8645n 366.8449 6.37 5998.7122 6090.0931 5653.2230 6075.1165 5983.7119 6409.5060 6.37_367.5132m/z 367.5132 6.37 912.1062 860.6902 751.5163 860.6100 834.1567 896.8111 6.37_408.2362m/z 408.2362 6.37 1000.8835 1007.6356 993.7166 1040.2339 1039.0983 1110.1163 6.37_557.7467m/z 557.7467 6.37 301.0554 302.4671 291.1388 335.7294 327.1191 340.4961 6.37_577.7586n 561.7471 6.37 864.3051 854.4257 791.6577 856.2865 889.1206 934.7079 6.37_589.7421n 590.7260 6.37 1115.3349 1109.5883 941.5003 1162.5670 1321.7555 1303.6766 6.38_120.0814m/z 120.0814 6.38 201.0735 182.5612 182.6724 180.6847 178.4203 191.3581 C8H11NO Tyramine Tyramine 15760 MEDIUM 6.38_210.1242m/z 210.1242 6.38 892.4048 801.0121 856.4903 828.9417 908.8554 895.1570 C10H15N3O2 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol HIGH 6.38_210.6263m/z 210.6263 6.38 125.3306 120.5561 155.2734 131.3523 131.8754 154.4930 6.38_253.6408m/z 253.6408 6.38 531.3749 524.3049 489.4726 489.8761 547.3971 573.1058 6.38_254.1499m/z 254.1499 6.38 358.4914 353.3772 338.8471 361.1817 371.4770 387.6035 6.38_307.6753m/z 307.6753 6.38 157.0320 129.0081 119.6458 135.7548 121.8666 178.2227 6.38_321.6730m/z 321.6730 6.38 2229.2959 2185.7501 2170.3351 2243.2166 2233.7596 2373.5440 6.38_338.8284n 361.8371 6.38 1718.9986 1688.0047 1703.7392 1651.6190 1584.1751 1621.5044 6.38_348.1923m/z 348.1923 6.38 4502.3568 4466.4892 4272.6273 4489.9901 4452.4716 5095.4708 6.38_352.1780m/z 352.1780 6.38 294.9559 265.2805 278.2215 261.5184 270.0483 311.5402 6.38_352.5126m/z 352.5126 6.38 132.1102 140.8846 133.3136 138.4436 106.0538 151.6782 6.38_354.1952m/z 354.1952 6.38 729.1220 789.0013 713.7481 747.5083 779.5687 782.9606 6.38_362.5146m/z 362.5146 6.38 519.7329 518.0654 453.0636 527.6088 538.4047 552.5538 6.38_367.1790m/z 367.1790 6.38 2592.7206 2640.2969 2329.4746 2707.2105 2660.1566 2752.0766 6.38_369.4921m/z 369.4921 6.38 315.8652 321.1729 297.1006 304.9651 305.2703 329.1025 6.38_370.8897n 371.8349 6.38 699.6198 841.6818 712.6458 781.5949 760.3727 781.9861 6.38_371.5335n 354.5302 6.38 657.1170 610.0793 566.5958 581.9278 592.5155 604.8142 6.38_372.1686m/z 372.1686 6.38 473.5589 449.3090 394.1386 447.2885 437.7806 477.0299 6.38_375.4996m/z 375.4996 6.38 339.4357 357.0428 314.2233 358.5042 379.5855 397.8191 6.38_381.4975m/z 381.4975 6.38 133.3453 102.5313 87.0437 104.3683 138.0820 141.0126 6.38_404.2122m/z 404.2122 6.38 247.4947 262.5259 259.8704 266.2849 273.0740 300.9159 6.38_404.7157m/z 404.7157 6.38 98.3290 102.1836 59.5742 84.8958 64.1178 93.7430 6.38_419.2413m/z 419.2413 6.38 3324.9509 3242.1088 3101.9609 3419.8769 3310.5984 3620.9888 6.38_446.2625m/z 446.2625 6.38 751.2958 730.2367 693.5911 717.0966 735.4539 759.5970 6.38_521.7823m/z 521.7823 6.38 252.8900 273.2540 265.8000 207.6354 350.4184 347.9206 6.38_522.7789m/z 522.7789 6.38 339.0579 293.3134 284.3247 293.8983 311.0626 383.2932 6.38_527.3069m/z 527.3069 6.38 245.7999 228.0906 260.3705 278.6370 270.5609 254.0125 6.38_530.7893m/z 530.7893 6.38 82410.5627 82788.5461 75497.1670 85179.4840 88489.9483 92079.2818 6.38_531.2910m/z 531.2910 6.38 44552.0162 44799.3984 40955.4336 46243.4031 47812.5603 49545.1689 6.38_538.3001n 522.2775 6.38 657.9110 687.6075 593.6412 647.2531 741.2503 897.3642 6.38_541.7803m/z 541.7803 6.38 8811.8174 9044.0196 8514.3931 9414.3679 10073.9058 10483.5952 6.38_542.2820m/z 542.2820 6.38 4310.3891 4347.5078 4175.5748 4596.0623 5123.4745 5291.1569 6.38_551.7611n 552.7706 6.38 3706.1284 3664.0521 3578.7615 3635.9339 4041.3995 4140.3702 6.38_552.2604n 553.2728 6.38 1874.7566 1883.3094 1853.4176 1961.9963 2075.1296 2144.9049 6.38_557.2565m/z 557.2565 6.38 661.8261 652.8470 620.9007 584.7609 669.1436 646.1357 6.38_562.7517n 563.7581 6.38 822.4045 825.8246 714.8944 780.7345 936.3572 819.8407 6.38_571.7495m/z 571.7495 6.38 147.7629 141.6955 114.7469 151.6026 161.1617 132.1046 6.38_904.4697m/z 904.4697 6.38 651.9108 653.2332 535.8591 603.0848 604.6913 683.7239 6.39_243.1271m/z 243.1271 6.39 98.4202 95.5166 83.2660 91.5457 54.1849 109.1252 6.39_312.6672m/z 312.6672 6.39 111.1627 113.5310 108.9404 112.7456 108.8325 113.9381 6.39_334.6910m/z 334.6910 6.39 150.5075 165.2625 154.0096 140.0238 169.0721 146.6320 6.39_431.5227m/z 431.5227 6.39 162.2677 179.7378 172.7016 147.4795 146.3324 193.0995 6.39_554.2692n 555.3050 6.39 2887.3841 2801.0566 2793.8621 2907.2884 2905.8444 3030.3103 6.39_601.7190m/z 601.7190 6.39 639.5499 649.7542 618.7754 687.6232 709.1723 799.2973 6.39_627.3029m/z 627.3029 6.39 1898.4309 1886.8716 1996.3045 1922.9255 1899.1617 1977.2909 6.39_627.8065m/z 627.8065 6.39 969.6679 931.1187 1005.2657 932.5533 1006.0204 1000.9417 6.39_642.3371m/z 642.3371 6.39 721.6920 714.2334 694.8875 769.9215 708.4355 773.2353 6.41_415.2228m/z 415.2228 6.41 2166.1587 2147.0305 2293.3729 2143.8469 2159.7600 2262.2003 6.41_622.8058m/z 622.8058 6.41 416.0033 386.5584 416.0391 332.6481 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6.58 428.6587 482.0450 481.3389 392.8584 449.3904 459.9321 C33H36N4O6 Bilirubin Bilirubin 16990 MEDIUM 6.58_632.3339m/z 632.3339 6.58 2444.7141 2592.6565 2371.9423 2453.8390 2383.6253 2582.0085 6.58_632.8376m/z 632.8376 6.58 1353.8610 1332.8764 1226.1486 1246.1451 1262.3126 1328.6393 6.58_673.3259m/z 673.3259 6.58 2039.0326 2036.0506 1961.1863 1856.2655 2035.8959 2014.5667 6.58_673.8274m/z 673.8274 6.58 1240.0687 1257.1551 1222.5664 1148.1494 1340.3429 1288.9211 6.58_691.3348m/z 691.3348 6.58 1429.6483 1472.7045 1461.1346 1462.8645 1516.1548 1588.8214 6.59_395.8334m/z 395.8334 6.59 292.9453 323.2734 358.0307 349.7297 344.5506 322.5017 6.59_454.5933m/z 454.5933 6.59 4735.9663 5035.3533 4827.2452 4947.0080 4915.2398 5204.5088 6.59_454.9274m/z 454.9274 6.59 3347.7586 3601.3657 3514.3926 3514.6956 3564.9875 3829.3039 6.59_455.2610m/z 455.2610 6.59 1645.4358 1678.0323 1667.7539 1639.3819 1681.0807 1803.7327 6.59_467.2429m/z 467.2429 6.59 704.8849 691.3155 641.3054 734.8918 680.8207 675.4497 6.59_467.5765m/z 467.5765 6.59 378.6504 349.2172 354.3581 361.6087 356.2477 368.3935 6.59_515.9975m/z 515.9975 6.59 151.8340 162.0661 118.7876 149.6370 114.6387 132.1508 6.59_516.2479m/z 516.2479 6.59 82.0780 133.0967 94.4547 31.5769 88.2052 88.4041 6.59_574.2809m/z 574.2809 6.59 522.9506 587.0713 560.4912 608.9212 569.3817 612.4130 6.59_585.7655m/z 585.7655 6.59 216.5839 203.4996 182.4906 227.4734 235.7288 180.3256 6.59_624.8433m/z 624.8433 6.59 851.2664 879.0793 793.0646 810.4571 810.3049 811.2614 6.59_625.3441m/z 625.3441 6.59 442.1205 469.6639 422.8379 421.1933 437.2536 466.5344 6.59_681.3855m/z 681.3855 6.59 2214.5864 2189.7333 2052.2714 2130.5207 2148.8730 2217.7402 6.59_681.8867m/z 681.8867 6.59 1335.5301 1372.0116 1253.4504 1318.9318 1347.0046 1427.8924 6.59_690.5838m/z 690.5838 6.59 1988.7898 1992.2989 1713.5738 1552.5325 1956.7138 1913.0744 6.59_690.8337m/z 690.8337 6.59 2227.3131 2182.6000 2232.7598 1966.2926 2351.2129 2501.0034 6.59_691.0846m/z 691.0846 6.59 1623.0017 1666.1089 1549.1432 1416.1197 1760.0299 1823.0929 6.59_692.8737m/z 692.8737 6.59 387.5739 466.6652 415.2114 366.3851 424.8444 473.2196 6.59_700.3256m/z 700.3256 6.59 255.3823 351.2056 284.9407 261.0142 371.0952 313.7840 6.60_522.7771m/z 522.7771 6.60 350.9608 358.0958 338.9723 342.7345 375.5751 315.9140 6.62_665.2624n 688.2856 6.62 384.7883 394.7297 366.3903 267.1505 363.5502 396.3492 6.62_665.5936n 688.6186 6.62 256.8774 278.1720 201.1830 179.5087 228.9666 324.4286 6.64_428.1756m/z 428.1756 6.64 664.2234 747.2535 733.0526 752.6265 745.9090 775.4394 6.64_428.6768m/z 428.6768 6.64 237.8200 287.4796 247.2024 290.3557 269.5839 277.1908 6.64_437.1940n 421.1829 6.64 241.4871 275.3624 247.8200 251.6487 245.7429 281.8684 6.64_817.3965m/z 817.3965 6.64 1578.7344 1572.0183 1556.3237 1557.7415 1544.9873 1495.6768 6.65_437.9392m/z 437.9392 6.65 713.7735 805.2567 746.7512 770.3105 735.9094 823.4040 6.65_438.2738m/z 438.2738 6.65 448.5638 531.7696 503.6153 521.3638 495.3630 584.0946 6.65_438.6079m/z 438.6079 6.65 173.4585 182.2225 141.5719 179.9051 136.9843 159.2415 6.66_328.7065m/z 328.7065 6.66 144.1984 174.7669 151.0637 156.5086 153.7215 179.7730 6.66_423.5573m/z 423.5573 6.66 298.7928 346.9082 342.6891 318.9835 302.8726 346.7660 6.66_423.8903m/z 423.8903 6.66 251.1520 249.1820 282.2925 253.3256 287.0013 268.7110 6.66_424.2252m/z 424.2252 6.66 107.3139 78.9782 100.0261 85.6182 84.9993 91.4996 6.66_473.0122m/z 473.0122 6.66 132.0030 146.3991 158.0672 163.4137 151.0360 180.4381 6.66_609.8334m/z 609.8334 6.66 294.5651 315.1887 364.5727 261.5719 315.7737 314.2052 6.66_610.0838m/z 610.0838 6.66 23.1316 101.2105 127.0120 143.8902 175.1926 175.9894 6.66_630.6839m/z 630.6839 6.66 137.3076 196.1107 151.0486 187.9292 229.4891 248.4201 6.67_323.4729n 341.5067 6.67 482.3793 468.8812 456.0098 487.0959 438.2482 496.4148 6.67_341.1722m/z 341.1722 6.67 875.5907 944.4268 923.7832 874.7210 940.9641 996.6826 6.67_400.2207m/z 400.2207 6.67 1864.2280 1784.1740 1980.5626 1729.2400 1833.7405 2118.5158 6.67_400.7221m/z 400.7221 6.67 633.4144 674.5683 735.3888 620.3426 632.9097 733.7245 6.67_471.9625m/z 471.9625 6.67 221.6471 209.3721 204.3877 189.3150 169.1166 182.7555 6.67_492.2813m/z 492.2813 6.67 5991.8584 6322.1039 6263.8516 6229.8435 6269.0940 6612.3560 6.67_492.7831m/z 492.7831 6.67 3045.8158 3129.9444 3266.5997 3176.9666 3267.0286 3358.7451 6.67_503.2721m/z 503.2721 6.67 469.7397 442.3474 513.1378 502.2982 466.8580 579.1885 6.67_503.7729m/z 503.7729 6.67 315.6014 331.6179 351.3225 298.0700 377.2345 335.2758 6.67_511.2549m/z 511.2549 6.67 188.8115 245.5780 248.9690 230.2930 241.2197 230.3078 6.67_511.7560m/z 511.7560 6.67 109.1366 140.6700 113.4659 134.8266 119.5276 143.7529 6.67_606.2497n 629.2857 6.67 251.1186 252.1122 258.0075 353.6182 212.3131 324.1052 6.67_609.5827m/z 609.5827 6.67 145.6929 182.8866 187.7584 176.4335 133.0573 135.7317 6.67_616.6302m/z 616.6302 6.67 1242.5470 1331.6136 1393.1580 1287.9444 1315.5004 1374.9908 6.67_616.9642m/z 616.9642 6.67 637.0529 663.2398 706.0299 661.0358 707.5406 711.7226 6.67_628.9607m/z 628.9607 6.67 238.1295 231.7813 249.6818 229.8812 203.1291 251.4783 6.67_799.4149m/z 799.4149 6.67 765.2712 758.5051 765.1117 772.7781 728.8919 708.9871 6.68_208.1333m/z 208.1333 6.68 91.8257 86.5285 99.3930 94.6907 76.9439 110.1749 6.68_242.9673n 265.9819 6.68 1311.8326 1369.5910 1359.7232 1355.3730 1348.3004 1363.7342 6.68_267.9804m/z 267.9804 6.68 1124.2678 1208.7966 1192.1291 1196.7543 1173.7502 1244.5205 6.68_346.0104m/z 346.0104 6.68 509.7246 533.0736 537.2961 438.4102 397.9207 496.5732 6.68_539.2701m/z 539.2701 6.68 176.5500 190.8513 156.1925 151.6208 198.0659 193.1342 6.68_630.3442m/z 630.3442 6.68 208.5251 188.4706 149.8677 151.7067 219.3726 204.7236 6.69_586.2798m/z 586.2798 6.69 126.1959 134.9919 113.7675 134.8299 133.5891 178.3762 6.69_589.7840m/z 589.7840 6.69 6522.9573 6632.0813 7304.0474 6764.3644 7574.6176 7552.6089 6.69_590.0348m/z 590.0348 6.69 7541.7473 7525.4622 8352.3535 7753.3797 8354.0430 8595.8480 6.69_590.2855m/z 590.2855 6.69 4938.1706 5135.9409 5437.1467 5183.6932 5586.2662 5652.5118 6.69_590.5359m/z 590.5359 6.69 2144.1037 2338.8247 2607.8112 2338.1096 2435.8515 2604.8966 6.69_595.7744m/z 595.7744 6.69 295.7496 336.9727 347.9377 380.7688 365.6686 428.0475 6.69_599.7717m/z 599.7717 6.69 1039.6032 1076.2795 1279.5877 1026.0217 1110.8068 1176.0228 6.69_602.7814n 585.7781 6.69 560.5654 567.4978 600.9731 539.4998 602.2559 660.0824 6.69_605.5119m/z 605.5119 6.69 273.4307 263.6785 395.5794 313.6146 348.3777 378.8409 6.69_625.2832n 643.2785 6.69 364.0975 300.7267 322.4622 244.7635 276.1446 367.9694 6.69_775.6705n 793.7043 6.69 466.2915 470.3673 510.6032 486.9798 382.2748 436.6001 6.69_786.0436m/z 786.0436 6.69 5862.7448 5660.2587 5814.9166 5927.2866 5553.2309 6186.8728 6.69_786.3772m/z 786.3772 6.69 5905.3423 6022.7515 6006.6904 6060.1799 5655.7384 6264.6329 6.69_786.7124m/z 786.7124 6.69 3629.4418 3565.8969 3738.9851 3620.4439 3495.5172 3908.5286 6.69_794.0351m/z 794.0351 6.69 173.2135 194.2827 233.4800 210.9181 153.0220 217.7992 6.69_810.3747n 793.3714 6.69 352.5660 328.9738 292.1038 280.8242 314.6187 342.3382 6.70_211.1443m/z 211.1443 6.70 1806.7663 1804.3313 1831.4958 1691.7798 1723.6187 1773.6759 C11H18N2O2 "(3Z)-2-Ethyl-3-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-1H-isoindole" MEDIUM 6.70_516.7858m/z 516.7858 6.70 951.8249 952.6599 1013.8647 1007.7945 1013.9581 1092.8313 6.70_591.8178m/z 591.8178 6.70 118.5748 84.5416 129.5809 93.7536 137.9467 71.8989 6.70_596.0250m/z 596.0250 6.70 343.3395 313.2846 316.8194 285.1044 329.9168 344.1382 6.70_596.2752m/z 596.2752 6.70 169.9503 207.4036 207.4323 197.9626 224.6397 263.7495 6.70_599.2711m/z 599.2711 6.70 1387.8285 1402.8260 1455.3829 1335.7782 1534.4120 1538.7337 6.70_599.5218m/z 599.5218 6.70 1330.9829 1326.6646 1429.5256 1271.6150 1457.3647 1464.4678 6.70_600.0226m/z 600.0226 6.70 519.4824 464.3765 586.2614 503.0747 584.7855 575.8694 6.70_602.0515n 603.0118 6.70 449.0018 463.0320 454.9863 346.9373 462.3832 465.3630 6.70_602.5321n 603.5129 6.70 562.1065 590.2114 548.4336 489.3181 615.6533 715.7826 6.70_605.7635m/z 605.7635 6.70 283.0919 291.7392 233.9401 251.7868 294.8100 337.2189 6.70_606.0114m/z 606.0114 6.70 167.4886 142.8244 167.3012 124.4850 180.7152 202.7534 6.70_799.0263m/z 799.0263 6.70 201.6521 157.2583 182.2564 205.4900 136.5520 234.0711 6.71_545.7916m/z 545.7916 6.71 399.2290 407.6536 371.2406 443.4636 375.3972 400.6947 6.71_553.0528m/z 553.0528 6.71 177.7975 161.9733 134.3933 195.0161 149.2451 144.3782 6.71_684.3822m/z 684.3822 6.71 346.7214 348.7183 381.7042 356.0272 354.9854 322.5720 6.73_130.0657m/z 130.0657 6.73 312.2729 338.5648 286.7687 292.6759 285.1606 282.0352 C9H9NO Indole-3-carbinol Indole-3-carbinol HMDB05785 MEDIUM 6.73_205.0746n 206.0819 6.73 1608.8171 1598.3879 1706.1911 1692.5279 1521.3590 1661.5255 6.73_216.0335m/z 216.0335 6.73 183.9772 184.9131 188.9447 176.0182 193.3889 181.2663 6.73_244.0292m/z 244.0292 6.73 1144.3810 1113.8914 1077.3781 1141.2169 1123.2209 1161.7274 6.73_279.1710m/z 279.1710 6.73 3116.0483 3059.8085 3099.9857 3068.0874 2978.5196 3189.1624 6.73_553.5519m/z 553.5519 6.73 56.8035 119.5643 146.4004 128.8896 69.7241 114.4859 6.73_86.0976m/z 86.0976 6.73 374.8273 390.7003 367.5914 379.6748 374.9782 376.3954 6.75_509.7170m/z 509.7170 6.75 135.4477 156.8668 141.1723 137.3257 132.6608 108.4246 6.75_528.1873m/z 528.1873 6.75 1154.5309 1071.7421 1300.5344 1263.1750 1219.0535 1274.4349 6.75_528.6883m/z 528.6883 6.75 467.0243 498.2852 569.8410 571.2036 576.0474 608.4941 6.76_238.1003m/z 238.1003 6.76 993.5282 1157.8422 984.3025 1392.2464 1357.1288 1727.9640 6.76_240.0972m/z 240.0972 6.76 405.1840 461.7682 389.2223 518.9706 546.0096 648.5800 6.76_546.0472m/z 546.0472 6.76 179.7339 196.3837 144.7694 212.1918 137.7172 270.4856 6.76_606.5516m/z 606.5516 6.76 213.2397 220.1413 235.6473 245.6162 270.2426 206.8111 6.76_606.8033m/z 606.8033 6.76 355.7964 407.1116 416.6396 414.5239 446.8298 360.0180 6.76_607.0530m/z 607.0530 6.76 181.2928 167.5576 222.5069 213.7756 175.1754 211.4365 6.77_198.9881m/z 198.9881 6.77 660.8113 624.4446 671.2875 626.3159 631.2395 641.6288 6.77_520.5303m/z 520.5303 6.77 223.2148 326.5766 268.3266 229.5368 275.0641 326.2064 6.77_521.0313m/z 521.0313 6.77 103.5277 151.7784 121.5965 108.7745 139.1374 126.3351 6.77_607.3035m/z 607.3035 6.77 67.1974 127.1624 94.8614 89.8704 98.2550 65.4097 6.77_694.0414m/z 694.0414 6.77 551.7907 591.7533 727.1418 658.4263 581.2954 591.5378 6.78_530.0171m/z 530.0171 6.78 195.6735 168.3971 205.8537 171.0261 224.0424 194.4650 6.78_693.7060m/z 693.7060 6.78 700.8880 756.7274 797.1504 719.6495 740.3359 760.3187 6.79_344.7120m/z 344.7120 6.79 280.3102 264.1167 270.4069 212.6483 251.5761 284.2901 6.79_557.7717m/z 557.7717 6.79 217.9123 167.7290 246.0170 193.1683 163.1763 172.4867 6.81_344.7988n 367.8276 6.81 1859.8424 2051.5518 1922.6624 1793.7756 1949.2927 1914.8565 6.81_362.1655m/z 362.1655 6.81 156.4109 134.9402 103.5690 114.4564 98.1614 114.0048 6.81_367.4910m/z 367.4910 6.81 1869.9747 1838.6938 1947.5308 1814.6450 1879.5963 1891.8700 6.81_368.1582m/z 368.1582 6.81 427.2913 481.9166 417.6257 453.3243 420.5761 395.4688 6.81_480.2142m/z 480.2142 6.81 8285.1525 7763.6969 7826.9246 8060.8699 8022.1197 9242.3371 6.81_522.7527m/z 522.7527 6.81 878.0688 824.4042 1040.6592 1058.3642 1016.3937 942.1856 6.81_530.7518n 531.7591 6.81 9565.0374 10192.5446 9888.5513 9782.5601 9994.9767 10071.3010 6.81_542.7497m/z 542.7497 6.81 938.9349 938.9183 962.3687 951.2136 980.8850 935.7131 6.81_543.2499m/z 543.2499 6.81 351.7401 357.1353 366.6123 316.1792 344.5876 351.3658 6.81_548.2760n 532.2603 6.81 5093.9895 5257.7848 5130.0780 5136.4232 5322.1130 5372.8361 6.81_656.6744m/z 656.6744 6.81 789.1319 796.1825 747.0737 754.2792 753.6524 808.4360 6.81_878.3892m/z 878.3892 6.81 1001.2641 946.2605 1113.2463 1013.6007 1035.7343 1038.2666 6.82_415.8468m/z 415.8468 6.82 109.2710 108.6826 105.5714 124.7177 115.0511 135.6200 6.82_523.2541m/z 523.2541 6.82 356.7073 366.9105 467.9672 462.2985 454.7878 412.1996 6.82_551.2355m/z 551.2355 6.82 184.2749 163.6168 142.0080 202.9150 155.6966 153.1933 6.82_657.0075m/z 657.0075 6.82 392.9196 354.7039 359.1085 353.7959 370.7946 341.7065 6.83_364.8829m/z 364.8829 6.83 350.8402 337.1818 341.5815 406.5680 345.5603 388.4142 6.83_415.5128m/z 415.5128 6.83 146.7969 134.6095 132.9009 156.0392 167.3737 133.2397 6.83_603.7928m/z 603.7928 6.83 945.5402 922.1606 1019.5654 877.9758 994.2844 919.0983 6.84_422.5557m/z 422.5557 6.84 119.9640 124.6465 84.9332 112.1673 102.4170 102.5736 6.84_507.9072m/z 507.9072 6.84 586.5886 618.3293 629.1952 533.3018 531.5730 629.3650 6.84_683.3201m/z 683.3201 6.84 911.9953 872.9370 907.5492 855.6916 963.8330 887.5742 C37H42F2N8O4 Posaconazole MEDIUM 6.84_683.8164m/z 683.8164 6.84 362.7270 299.0367 447.5999 360.2677 360.4920 329.6433 6.84_760.3542m/z 760.3542 6.84 193.7146 215.3225 209.3326 203.0023 208.7461 210.9875 6.84_760.8543m/z 760.8543 6.84 154.1051 190.6138 176.9144 129.2586 132.3509 138.5338 6.85_340.6514m/z 340.6514 6.85 172.9572 187.6026 185.7794 181.4904 188.4158 190.5274 6.85_507.2402m/z 507.2402 6.85 1829.4111 1952.0019 1933.2922 1930.3974 1969.8615 1918.2741 6.85_507.5733m/z 507.5733 6.85 1208.8660 1297.5674 1327.4194 1246.1864 1319.6795 1284.7506 6.85_592.6175m/z 592.6175 6.85 272.9525 256.2205 316.9823 219.1011 357.5815 280.2860 6.86_341.1535m/z 341.1535 6.86 69.4870 124.3511 103.4944 92.0142 86.0501 90.3290 6.86_456.5907m/z 456.5907 6.86 1607.6297 1667.4097 1685.4136 1513.7742 1822.1361 1772.1177 6.86_456.9245m/z 456.9245 6.86 1248.7474 1203.2594 1286.5677 1195.0438 1327.7885 1330.3596 6.86_592.9521m/z 592.9521 6.86 215.2119 195.3712 242.6371 201.3875 218.6355 214.9891 6.86_593.2890m/z 593.2890 6.86 141.9127 172.9427 184.5712 154.9075 194.7331 204.2502 6.87_475.5274m/z 475.5274 6.87 105.6732 89.5239 102.4232 76.7659 126.7630 121.6778 6.87_691.3296m/z 691.3296 6.87 236.7123 235.7849 214.6824 171.0553 114.6799 236.9777 6.88_350.8261m/z 350.8261 6.88 312.7924 266.9533 308.2889 294.4427 308.5479 320.2112 6.88_472.2390n 455.2357 6.88 5007.9002 5360.3693 5463.1020 5001.8688 5340.9164 5469.7655 6.88_474.8592m/z 474.8592 6.88 416.8258 465.3251 449.3562 490.8048 474.8761 454.7756 6.88_475.1954m/z 475.1954 6.88 428.8138 418.0905 393.5111 422.1749 444.6236 424.3237 6.88_517.7508m/z 517.7508 6.88 1497.1936 1560.7874 1649.5400 1439.6974 1617.7621 1522.7990 6.88_525.7343m/z 525.7343 6.88 275.9984 316.3542 290.7823 292.3502 305.3183 281.1471 6.88_529.2423m/z 529.2423 6.88 417.2656 440.8659 416.4930 394.5180 441.4252 405.5634 6.88_622.3408m/z 622.3408 6.88 1357.8489 1914.0055 1948.6132 2107.2414 2802.1962 2697.1534 6.88_690.8294m/z 690.8294 6.88 179.9709 158.1482 131.2005 132.0813 111.3128 172.7406 6.88_691.0798m/z 691.0798 6.88 210.3644 212.5026 233.7172 220.1014 238.2738 226.3156 6.88_692.8123m/z 692.8123 6.88 1970.1646 2014.8330 2058.2889 1754.5634 1952.0630 1969.7350 6.88_709.3361n 693.3135 6.88 1426.2534 1391.8165 1474.1802 1288.8203 1262.8806 1319.2669 6.88_710.1118m/z 710.1118 6.88 182.1480 238.3754 167.3499 157.8145 176.0547 190.1204 6.89_451.2159m/z 451.2159 6.89 1648.3768 1580.0884 1585.6783 1429.7998 1582.1292 1749.2981 6.89_455.7375m/z 455.7375 6.89 2673.6215 2740.6331 2724.4911 2563.7762 2796.6793 2795.8597 6.89_462.7264m/z 462.7264 6.89 438.1337 521.5115 518.2524 472.4792 545.5652 469.4376 6.89_518.2518m/z 518.2518 6.89 744.3196 754.6690 814.4765 741.3636 825.0661 799.1464 6.89_528.7419m/z 528.7419 6.89 885.9620 924.9078 842.9814 822.8062 981.7899 847.0568 6.89_554.7842m/z 554.7842 6.89 511.1282 504.4580 621.0746 427.9495 496.0212 420.0882 6.90_245.0787m/z 245.0787 6.90 219.9128 222.4139 262.6901 234.7684 233.2001 216.8648 C10H22O "3,3',4'5-Tetrahydroxystilbene" HMDB04215 MEDIUM 6.90_370.5276m/z 370.5276 6.90 39.7186 66.9100 65.3260 72.6595 58.2993 56.3158 6.90_462.2234m/z 462.2234 6.90 879.4727 893.2561 955.7126 886.0856 986.4644 897.2397 6.90_467.0074m/z 467.0074 6.90 357.9490 454.7542 409.2899 479.6186 574.3881 601.7253 6.90_526.2320m/z 526.2320 6.90 136.8646 139.8683 140.8863 151.0055 136.5626 142.6982 6.90_538.5320m/z 538.5320 6.90 1286.1937 1234.6727 1417.8653 1425.3460 1414.9418 1411.2950 6.90_554.2831m/z 554.2831 6.90 916.1649 934.4405 947.2881 827.3606 928.9113 947.9009 6.90_622.6756m/z 622.6756 6.90 1976.9510 2415.9917 2257.9930 2400.9033 3020.9550 3009.4772 6.90_717.7048m/z 717.7048 6.90 246.0774 243.8458 264.6327 222.1327 226.9879 257.3971 6.91_227.1040m/z 227.1040 6.91 702.2527 703.2934 724.7142 728.7727 746.0835 805.6167 6.91_227.6068m/z 227.6068 6.91 81.5490 94.3064 89.4056 91.2965 76.0916 104.0248 6.91_414.2479n 437.2368 6.91 10990.0477 10455.6958 11132.7179 10066.2194 10603.5077 12278.5037 6.91_498.2345m/z 498.2345 6.91 404.6739 420.3748 512.3550 479.3502 492.4591 492.0821 6.91_498.7368m/z 498.7368 6.91 234.1496 307.1898 274.2455 293.6666 333.7568 308.5853 6.91_510.7604m/z 510.7604 6.91 297.1642 273.4278 273.4040 296.8353 317.4776 300.0346 6.91_511.2557m/z 511.2557 6.91 163.7828 184.6998 188.5795 188.9931 170.9724 129.1003 6.91_538.7828m/z 538.7828 6.91 1463.3423 1493.6270 1630.4749 1535.4380 1649.3463 1602.5625 6.91_539.0334m/z 539.0334 6.91 865.5209 819.4740 943.6853 912.2918 1042.8672 886.9169 6.91_539.2833m/z 539.2833 6.91 477.8547 504.7254 473.1119 435.9909 507.3399 503.1307 6.91_590.5318m/z 590.5318 6.91 503.5954 490.8596 528.4701 666.8764 583.2671 564.5582 6.91_590.7808m/z 590.7808 6.91 386.8363 430.6372 458.4140 464.9920 498.0726 443.6185 6.91_623.0090m/z 623.0090 6.91 1491.3970 1536.2904 1216.3313 1293.8388 1643.6218 1540.6912 6.91_630.3028m/z 630.3028 6.91 173.7439 159.0713 184.5965 153.8613 161.3311 145.7347 6.91_718.0424m/z 718.0424 6.91 190.1748 232.7681 203.9223 196.9754 193.1691 155.9240 6.91_718.3740m/z 718.3740 6.91 154.2804 192.9742 123.0136 160.7852 143.8645 165.7786 6.92_178.6147m/z 178.6147 6.92 48.5258 20.4410 59.2025 45.4270 57.4861 36.4732 6.92_563.5434m/z 563.5434 6.92 218.8848 199.2638 244.5906 244.7529 234.9479 265.9965 6.92_563.7952m/z 563.7952 6.92 370.0377 290.4783 412.9001 356.5659 385.9238 335.8122 6.92_564.0449m/z 564.0449 6.92 102.3343 74.1340 156.1488 148.6463 178.3029 167.3005 6.92_786.7062m/z 786.7062 6.92 667.3060 579.8302 582.7930 508.0144 618.4556 623.3449 6.93_178.1129m/z 178.1129 6.93 445.1451 428.1291 460.1358 439.7994 495.1578 454.1312 6.93_560.7664n 578.8003 6.93 2780.4244 2777.9372 3040.8065 2935.4061 3092.0645 3128.8061 6.93_561.0161n 579.0499 6.93 1337.2559 1349.9708 1487.6886 1437.0393 1499.9698 1548.3920 6.93_578.2985m/z 578.2985 6.93 3722.0930 3834.2656 3750.2092 3867.6069 4010.8000 3990.7508 6.93_578.5495m/z 578.5495 6.93 3755.5806 3954.7175 4129.9880 4017.8319 4127.9542 4297.6334 6.93_586.7607m/z 586.7607 6.93 136.3563 152.1983 126.1370 161.8942 157.7055 127.8265 6.93_669.8417m/z 669.8417 6.93 1153.9726 1144.8517 1219.5192 1194.1594 1271.0942 1314.5138 6.93_670.3435m/z 670.3435 6.93 664.9656 683.4456 711.1091 665.4839 676.3848 779.7576 6.93_770.7292m/z 770.7292 6.93 881.3020 918.6808 946.6328 895.5137 942.2783 930.9691 6.93_771.3975m/z 771.3975 6.93 523.0806 596.6055 653.1347 601.7814 603.9274 676.2336 6.95_211.1443m/z 211.1443 6.95 741.4825 761.0594 736.9222 718.1715 723.4385 755.0707 C15H21NO4 "(3Z)-2-Ethyl-3-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-1H-isoindole" MEDIUM 6.95_563.2886n 586.2610 6.95 375.9195 392.9734 376.8943 346.8692 413.8550 382.7904 6.95_584.5403m/z 584.5403 6.95 111.8920 141.9398 198.3365 178.4898 202.9682 191.9287 6.95_587.7841m/z 587.7841 6.95 424.5513 442.1522 454.8700 411.2016 579.0588 471.1434 6.95_588.0361m/z 588.0361 6.95 401.7321 384.1917 469.2757 375.0959 463.1277 431.2575 6.95_588.2856m/z 588.2856 6.95 375.2917 348.3182 383.4145 366.3613 415.3053 377.0936 6.95_588.5345m/z 588.5345 6.95 94.9538 99.6314 126.5581 71.9398 124.3068 125.7981 6.95_771.0632m/z 771.0632 6.95 700.0805 776.9099 828.1904 842.5104 859.8494 821.5971 6.97_313.1539m/z 313.1539 6.97 505.0163 529.7271 504.3226 502.6226 504.8745 468.5067 6.97_411.7200m/z 411.7200 6.97 7619.3535 7752.5513 7965.1804 7703.3797 8235.8757 7905.4801 6.97_412.2213m/z 412.2213 6.97 3500.9823 3685.4995 3616.4122 3577.2503 3693.4562 3735.6877 6.98_339.6894n 357.7232 6.98 1429.7111 1248.4451 1554.4611 1300.8200 1425.7307 1282.1399 6.98_358.2241m/z 358.2241 6.98 699.2587 668.5305 752.6617 620.1435 723.3263 605.6141 6.98_366.1939m/z 366.1939 6.98 1388.7679 1310.8048 1451.3226 1344.5462 1415.9672 1415.7964 6.98_366.4447m/z 366.4447 6.98 914.5531 981.4215 1061.9241 1005.2222 965.4839 1067.1995 6.98_366.6951m/z 366.6951 6.98 428.6533 436.0300 417.8847 420.6739 381.6413 467.5144 6.98_413.8993m/z 413.8993 6.98 7683.7141 7671.3571 7930.6547 7725.7955 8305.7550 7856.7798 6.98_414.5679m/z 414.5679 6.98 1578.8805 1670.6945 1670.6746 1632.9842 1805.4212 1655.3775 6.98_418.8457n 441.8743 6.98 1059.2226 1083.0264 1046.5201 1096.6821 1030.7042 1074.0360 6.98_419.5410n 442.5400 6.98 436.3044 444.4103 478.9772 473.1397 437.3285 374.2323 6.98_422.5377m/z 422.5377 6.98 234.9673 195.3674 205.9043 174.1452 172.6702 177.4036 6.98_422.8691m/z 422.8691 6.98 175.0788 132.8704 165.3908 101.0809 186.3045 120.9114 6.98_434.5210m/z 434.5210 6.98 469.4988 489.8892 477.2655 481.7424 460.6775 497.3388 6.98_434.8549m/z 434.8549 6.98 439.3246 421.7898 386.2160 383.1904 517.9700 379.9460 6.98_437.9087m/z 437.9087 6.98 92.7987 106.7981 87.6674 108.2392 130.2059 110.5976 6.98_487.9228m/z 487.9228 6.98 2142.4405 2114.3561 2109.3341 2037.0471 2208.3303 2125.3672 6.98_488.2570m/z 488.2570 6.98 1584.4171 1551.9270 1641.9960 1487.4307 1610.5054 1530.3281 6.98_488.5912m/z 488.5912 6.98 605.9011 592.5567 595.5065 555.6280 605.6215 551.0011 6.98_489.9269m/z 489.9269 6.98 340.4321 334.9900 337.6223 318.7263 272.3205 359.4345 6.98_491.9648n 475.9422 6.98 4908.7226 4955.0041 4899.5572 4884.5562 4905.7802 5133.5469 6.98_492.2765n 475.2733 6.98 17136.8206 17676.4954 18113.0385 17256.4172 17953.0708 17756.4948 6.98_492.6110n 475.6077 6.98 10993.8981 11297.2705 11400.0434 11134.1629 11257.1211 11537.8938 6.98_495.9109m/z 495.9109 6.98 463.7018 519.4227 561.6703 423.7649 502.1715 411.9955 6.98_496.2461m/z 496.2461 6.98 697.9824 696.6987 660.7846 657.3000 692.4551 733.6799 6.98_499.6036n 482.6003 6.98 1304.5052 1343.0557 1290.0857 1341.8937 1285.5687 1210.4488 6.98_499.9380n 482.9347 6.98 904.4292 994.4596 1057.9822 996.9675 1133.8375 1010.4481 6.98_500.2659n 483.2626 6.98 827.4951 868.1717 977.0546 982.8538 1014.2147 969.4012 6.98_503.2420m/z 503.2420 6.98 102.2933 89.6311 83.6948 74.1832 110.4257 105.6049 6.98_512.5858n 496.5778 6.98 403.5456 405.7805 431.0219 352.9240 419.4957 389.6708 6.98_515.7787m/z 515.7787 6.98 673.7304 683.8461 491.5778 604.2243 704.7225 542.2402 6.98_544.0461m/z 544.0461 6.98 386.4460 455.5719 442.1714 445.1751 484.4601 410.2312 6.98_571.8196m/z 571.8196 6.98 2308.7953 2300.0228 2191.5703 2086.3025 2530.1478 2146.1363 6.98_572.3204m/z 572.3204 6.98 973.7955 1070.9461 997.1936 944.3775 1141.2608 898.5504 6.98_620.3458m/z 620.3458 6.98 8678.1676 8351.0838 8149.9188 7746.7231 8956.2157 8131.6072 6.98_620.8469m/z 620.8469 6.98 4132.7721 4054.1542 4379.2548 3967.0359 4418.1426 4032.8488 6.98_631.2963n 632.3035 6.98 3238.1841 3150.1604 3097.6358 2886.7946 3183.3331 3080.9736 6.98_631.7978n 632.8050 6.98 1900.5655 1786.3996 1763.8022 1618.9247 1865.1563 1659.2821 6.98_643.8329m/z 643.8329 6.98 3669.9456 3674.8489 3612.9118 3402.3844 3688.5620 3616.9928 6.98_655.8625m/z 655.8625 6.98 880.1110 901.7743 881.4539 854.6473 933.0798 912.5403 6.98_662.3033m/z 662.3033 6.98 318.7339 240.1723 235.9384 194.7962 277.7465 212.0070 6.98_711.3993n 712.4065 6.98 6506.3983 6270.2860 6353.1741 5968.1691 6394.6462 6293.4650 6.98_711.9008n 712.9081 6.98 3898.8950 3777.0938 3816.7488 3668.2036 3776.1018 3655.3275 6.98_723.3963m/z 723.3963 6.98 1158.4487 1149.7395 1193.2787 1121.5547 1121.5269 1146.4530 6.98_723.8981m/z 723.8981 6.98 423.7714 462.8010 450.2590 450.8795 496.9598 463.4951 6.98_731.3794m/z 731.3794 6.98 353.0250 408.7219 380.9723 271.0846 429.6447 328.6588 6.99_435.1918m/z 435.1918 6.99 168.1469 158.2220 217.0194 230.5831 206.8699 223.2187 6.99_442.2085m/z 442.2085 6.99 513.9339 476.1967 549.4521 527.2379 519.2465 581.2705 6.99_543.7957m/z 543.7957 6.99 705.6214 768.4269 833.4834 808.5729 901.4138 825.5764 6.99_544.2961m/z 544.2961 6.99 177.2752 236.7472 182.9392 217.0243 197.0429 208.9670 6.99_643.3311m/z 643.3311 6.99 7287.7245 7220.0404 7126.0368 7025.8465 7439.0031 7207.7501 6.99_651.0082m/z 651.0082 6.99 607.4525 546.5851 575.3841 498.3921 494.2694 499.6178 6.99_651.3371m/z 651.3371 6.99 749.2929 799.4244 701.7594 752.9102 799.8581 766.3381 6.99_651.6800m/z 651.6800 6.99 294.3006 303.5713 304.3675 330.5724 315.9499 295.4364 6.99_662.8049m/z 662.8049 6.99 130.2048 152.9911 153.7955 91.7974 120.0153 125.6011 7.00_400.1690m/z 400.1690 7.00 725.5949 815.0255 722.8417 728.7120 722.3482 725.1671 7.00_641.3171m/z 641.3171 7.00 348.5923 373.1460 362.5648 324.2904 316.8309 365.1212 7.00_641.8176m/z 641.8176 7.00 188.6068 225.8541 227.6729 188.4956 171.6861 143.6631 7.01_440.5057n 463.5312 7.01 1442.4133 1494.4149 1454.5700 1350.3657 1413.9552 1602.2768 7.01_445.8314n 463.8652 7.01 948.2902 1011.7119 1080.6654 1056.5642 974.7363 1102.7300 7.01_458.2072m/z 458.2072 7.01 476.3823 478.4788 558.3745 504.7988 506.6652 615.5037 7.01_458.8682m/z 458.8682 7.01 355.1670 336.1441 358.4670 308.5870 319.8533 339.8355 7.01_469.1879m/z 469.1879 7.01 73.9024 65.4135 51.6431 50.9182 39.7267 41.6863 7.01_535.7732m/z 535.7732 7.01 634.9462 597.6387 648.8642 537.9090 789.0203 695.9650 7.01_536.0231m/z 536.0231 7.01 352.7214 369.0068 376.2982 345.0189 359.5463 422.1180 7.01_536.2721m/z 536.2721 7.01 241.4817 292.0691 341.2589 283.1431 312.7626 282.1059 7.01_675.8198m/z 675.8198 7.01 4902.6123 5190.1340 4875.7187 4797.0031 4939.6708 4901.0804 7.01_676.3211m/z 676.3211 7.01 2889.1542 2983.9327 3024.4179 2810.8846 2901.1775 2860.3308 7.02_471.5177m/z 471.5177 7.02 243.0434 254.2206 245.6651 257.9506 275.2880 256.2684 7.02_694.7920m/z 694.7920 7.02 385.4306 392.4613 429.5352 392.2920 330.0430 446.2541 7.02_713.6954m/z 713.6954 7.02 208.8831 246.0631 204.9074 231.6646 269.5946 277.2690 7.04_695.2946m/z 695.2946 7.04 227.9405 194.4412 155.3645 183.0701 178.0914 193.6261 7.05_196.1318m/z 196.1318 7.05 157.4397 167.8097 166.2224 205.5643 206.5646 246.2467 7.05_225.1101m/z 225.1101 7.05 249.6471 214.6460 260.1794 227.9705 217.5197 242.7197 7.05_229.1551m/z 229.1551 7.05 592.8019 588.3451 534.9884 546.6770 566.0452 594.4475 C11H17NO3 Isoprenaline 64317 MEDIUM 7.05_389.9134m/z 389.9134 7.05 221.5962 312.8148 329.1909 277.9901 307.8172 325.1121 7.05_390.1645m/z 390.1645 7.05 134.5487 121.4409 118.1728 143.6186 109.2093 192.0178 C24H26N2O4 Carvedilol HMDB15267 MEDIUM 7.05_390.4171m/z 390.4171 7.05 72.1691 81.2582 80.8782 94.6021 101.5797 58.6175 7.05_394.4169m/z 394.4169 7.05 565.7597 522.6420 522.9781 557.5328 575.1317 564.7442 7.05_394.6682m/z 394.6682 7.05 372.8093 359.8695 385.2887 357.8022 420.9280 406.7087 7.05_400.4052m/z 400.4052 7.05 213.2382 233.6824 183.9068 220.6050 156.2895 239.7171 7.05_400.6556m/z 400.6556 7.05 114.4030 137.4893 134.5324 148.0591 140.3085 112.8339 7.05_400.9069m/z 400.9069 7.05 64.5431 126.0645 91.8106 92.8397 88.7255 87.7657 7.05_404.1531m/z 404.1531 7.05 330.9466 311.5153 327.0964 358.8593 412.7692 459.2647 7.05_404.4034m/z 404.4034 7.05 193.1936 205.3546 154.5003 179.9224 206.5776 158.6043 7.05_404.6520m/z 404.6520 7.05 33.9805 88.0530 74.8806 63.0450 59.6522 57.7982 7.05_409.8931m/z 409.8931 7.05 164.2755 157.2107 118.7463 148.0197 159.8073 180.5900 7.05_410.1433m/z 410.1433 7.05 55.4173 77.6747 96.7232 92.4247 75.6354 50.2789 7.05_445.2525m/z 445.2525 7.05 682.3235 760.7044 718.9580 689.7726 710.5955 690.1931 7.05_471.8511m/z 471.8511 7.05 164.0977 187.8623 194.7191 207.7184 181.0595 198.1304 7.05_515.2250m/z 515.2250 7.05 437.5037 441.8533 355.3039 372.2432 346.3784 387.1707 7.05_518.8771n 501.8738 7.05 341.9054 348.1523 435.4552 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1121.7997 1034.7765 1172.7802 1170.1326 7.25_507.5310m/z 507.5310 7.25 562.4124 538.8651 606.9952 556.3602 589.2082 582.1111 7.25_509.1891n 510.1963 7.25 1498.7966 1364.2310 1472.8283 1531.9687 1541.2563 1594.7700 7.25_509.5216n 510.5289 7.25 762.4671 774.8938 766.7293 818.2142 832.2547 752.9183 7.25_509.8615m/z 509.8615 7.25 1251.7436 1381.4548 1438.0628 1374.6276 1400.3688 1369.9616 7.25_513.8882n 496.8849 7.25 2001.7766 2113.4700 2199.8400 2125.3053 2217.9135 2177.1749 7.25_515.5224m/z 515.5224 7.25 130.2701 150.4659 200.7261 91.5392 123.5432 169.9363 7.25_518.8765n 501.8732 7.25 7897.2050 8268.9668 8498.7608 8113.1727 8273.7563 8395.4154 7.25_519.2115n 502.2083 7.25 5437.4906 5583.5173 5705.6151 5646.6897 5586.0774 5838.0717 7.25_519.5456n 502.5423 7.25 2550.8911 2716.7515 2553.6102 2606.0117 2710.5250 2723.5586 7.25_732.8276n 733.8349 7.25 16768.2738 17235.7270 17309.9185 17357.7066 16980.2350 17382.2381 7.25_733.3334m/z 733.3334 7.25 26783.5371 27459.5461 27811.0687 27935.0044 27105.9445 27260.4695 7.25_741.3306n 764.2906 7.25 862.2485 800.5323 881.2980 791.5129 722.6150 778.4382 7.25_744.3248m/z 744.3248 7.25 3646.6862 3610.4714 3419.0400 3396.0625 3307.5666 3498.7136 7.25_744.8252m/z 744.8252 7.25 2070.2662 2097.3237 2177.2540 2097.1086 2007.6493 2097.9963 7.25_752.3064m/z 752.3064 7.25 1191.9495 1206.0736 1238.9866 1170.1012 1222.3669 1188.0577 7.25_752.8082m/z 752.8082 7.25 732.1745 677.5817 677.1759 699.9147 650.9944 692.9372 7.25_760.2915m/z 760.2915 7.25 383.3220 330.8663 385.3266 382.7545 405.1087 377.0833 7.26_523.1796m/z 523.1796 7.26 340.3970 385.3765 347.0691 351.4923 442.3457 350.2529 7.26_741.7546n 759.7884 7.26 793.0162 863.1778 872.1278 809.8563 717.6347 799.8012 7.26_755.3108m/z 755.3108 7.26 292.8727 268.1435 305.6561 252.9500 277.2780 287.1353 7.27_219.0994m/z 219.0994 7.27 474.1964 389.0213 412.5321 461.4216 441.3437 518.6916 7.27_445.7434m/z 445.7434 7.27 149.3439 162.8437 168.8237 133.5898 118.5976 142.6059 7.27_450.9162m/z 450.9162 7.27 94.3025 109.9251 127.7468 91.8604 110.0025 131.1298 7.27_494.2349n 495.2421 7.27 1612.4089 1603.6723 1648.0813 1561.2630 1563.6482 1798.8066 7.28_364.1461m/z 364.1461 7.28 919.5472 988.3022 1035.4602 971.2849 1046.6457 1004.5270 7.28_364.6478m/z 364.6478 7.28 312.5656 286.7947 302.5913 308.8902 278.4282 319.9704 7.28_446.9293m/z 446.9293 7.28 417.2269 435.1271 414.0170 435.0801 467.5017 452.1732 7.28_447.1803m/z 447.1803 7.28 306.8293 414.4996 352.6780 375.0164 345.6776 407.6721 7.28_447.4311m/z 447.4311 7.28 168.9096 178.1576 188.3798 167.0704 141.1534 161.4083 7.28_577.5372n 595.5710 7.28 1167.1451 1406.5147 1236.4739 1407.0270 1154.1729 1215.3697 7.28_578.2057n 596.2396 7.28 568.8784 595.6097 572.8743 631.5403 493.2949 575.7309 7.28_590.2487m/z 590.2487 7.28 1227.0785 1307.9153 1201.5090 1438.7817 1162.1905 1205.2406 7.28_590.5833m/z 590.5833 7.28 850.3146 953.4193 934.9781 1069.4922 909.3963 957.4973 7.28_590.9133m/z 590.9133 7.28 587.9990 764.9530 701.4709 826.7735 651.9582 689.3353 7.28_595.9047m/z 595.9047 7.28 700.9053 751.3588 692.2721 765.7741 670.9440 774.2265 7.28_598.2431m/z 598.2431 7.28 136.4401 115.2077 105.3633 89.0773 99.3617 132.3502 7.28_599.9251n 582.9218 7.28 519.0696 566.5059 543.8081 586.4295 517.8386 513.2857 7.28_603.5604m/z 603.5604 7.28 222.5868 306.8384 304.7778 338.7971 345.4074 306.9505 7.28_689.3359m/z 689.3359 7.28 2886.2119 2912.7089 2847.4247 2823.2572 2820.6340 2932.7720 7.28_873.8806m/z 873.8806 7.28 4641.0354 4825.0063 4787.6046 4594.0539 4459.4494 4766.5805 7.28_874.3820m/z 874.3820 7.28 3332.9448 3320.7484 3434.4898 3504.8919 3319.6187 3343.2551 7.29_249.6197m/z 249.6197 7.29 97.2391 99.4698 102.3173 74.2679 78.2623 115.1172 7.30_221.0125m/z 221.0125 7.30 676.9288 670.8634 697.6885 688.6807 675.9144 756.5368 7.30_249.1166m/z 249.1166 7.30 829.2624 740.9022 824.0372 729.2170 784.7253 831.8751 7.30_458.2736n 481.2631 7.30 8235.1028 8040.5614 8104.1509 8094.8322 7734.7813 9627.8927 7.30_608.8332m/z 608.8332 7.30 273.8586 318.2995 249.5650 256.7235 234.0726 256.3329 7.30_617.8384m/z 617.8384 7.30 536.4514 525.2263 547.6155 539.7501 507.9753 549.1050 7.31_320.4761m/z 320.4761 7.31 69.0937 52.5741 38.2937 44.8410 58.9911 63.7009 7.31_460.7368m/z 460.7368 7.31 2935.5217 3021.4770 3111.2812 2875.7029 3018.1968 3054.5560 7.32_320.1423m/z 320.1423 7.32 140.4563 197.5210 162.9729 171.0910 173.0067 181.9006 7.32_443.9690m/z 443.9690 7.32 1034.1463 1093.1776 1391.5879 1079.3538 1234.5576 1286.6437 7.32_444.4763m/z 444.4763 7.32 1027.5592 1034.2841 1163.1113 1048.0566 1109.4276 1195.2955 7.32_461.2380m/z 461.2380 7.32 1437.6470 1447.7662 1577.3270 1474.0843 1460.2459 1503.3681 7.32_472.7193m/z 472.7193 7.32 141.1519 107.1206 109.1431 65.1219 141.2864 114.7529 7.32_486.4957m/z 486.4957 7.32 964.6127 960.3808 919.8607 948.2010 917.2489 940.6157 7.32_486.7468m/z 486.7468 7.32 972.3630 1001.1710 1088.3770 1043.2067 1006.1362 1055.1307 7.32_486.9966m/z 486.9966 7.32 574.4301 584.6919 587.9318 586.7580 572.2922 609.0470 7.32_591.6226m/z 591.6226 7.32 465.8433 463.8852 459.4952 506.3808 425.9835 433.1514 7.32_648.3239m/z 648.3239 7.32 1445.0380 1422.2648 1636.5326 1592.3476 1383.9816 1573.3935 7.32_648.6597m/z 648.6597 7.32 1436.2780 1381.1589 1417.0047 1494.4229 1392.4535 1380.5288 7.32_648.9938m/z 648.9938 7.32 800.0442 733.7372 785.2590 777.4801 778.0074 774.0163 7.33_444.7216m/z 444.7216 7.33 133.0783 172.8033 169.4591 147.6935 188.4988 174.1658 7.33_680.3083m/z 680.3083 7.33 411.4671 405.0527 360.1338 393.0384 344.8844 420.1803 7.33_680.8099m/z 680.8099 7.33 222.2388 219.3885 208.9957 205.8285 193.3181 216.4964 7.33_692.8246m/z 692.8246 7.33 679.0110 646.8982 738.5375 656.2288 616.3605 653.7537 7.34_641.3118m/z 641.3118 7.34 256.7267 262.5775 221.2938 223.4462 254.7969 266.9454 7.34_641.5649m/z 641.5649 7.34 147.2171 122.0790 171.2298 147.0853 128.5294 112.0469 7.34_693.3248m/z 693.3248 7.34 483.6207 448.7735 467.7109 424.4494 456.6483 470.6519 7.34_948.9009m/z 948.9009 7.34 416.3307 336.9096 389.0445 356.4109 407.3338 420.7059 7.34_949.4030m/z 949.4030 7.34 259.7226 248.7537 235.7158 256.0537 288.0446 285.4608 7.35_130.0658m/z 130.0658 7.35 2778.0536 2810.5121 2790.9640 2721.4623 2771.0180 2857.7531 C9H9NO Indole-3-carbinol Indole-3-carbinol HMDB05785 HIGH 7.35_176.0713m/z 176.0713 7.35 1103.0379 1127.3345 1105.4552 1070.3090 1089.6755 1134.3203 C10H9NO2 Indoleacetic acid Indoleacetic acid HMDB00197 HIGH 7.35_231.0200n 214.0167 7.35 1164.0244 1250.1979 1232.2387 1094.9220 1099.4013 1212.7578 7.35_237.0379n 260.0240 7.35 2446.0263 2422.7478 2500.5995 2391.2533 2505.0285 2574.8502 7.35_244.0444m/z 244.0444 7.35 429.3304 462.5716 479.2247 437.1619 456.2231 495.7632 7.35_275.9938m/z 275.9938 7.35 727.0200 699.2567 704.2979 580.9965 611.0726 657.3249 7.35_382.5092m/z 382.5092 7.35 333.2718 330.2853 332.3226 312.0696 348.6905 381.8803 7.35_554.2855m/z 554.2855 7.35 3643.5290 3443.9118 3630.9692 3548.4733 3483.1402 3700.4381 7.35_554.7878m/z 554.7878 7.35 1762.8357 1779.3406 1802.2395 1811.4321 1679.4659 1825.1190 7.35_565.7795m/z 565.7795 7.35 153.4806 127.6450 165.1065 142.5820 138.5055 136.5591 7.35_573.2542m/z 573.2542 7.35 271.3016 252.3387 262.8610 246.3418 262.3328 292.9596 7.35_573.7528m/z 573.7528 7.35 195.2618 127.9107 152.6100 144.5944 152.8474 122.5830 7.35_677.8368m/z 677.8368 7.35 945.6625 913.9975 968.5860 990.1726 862.7302 892.6130 7.35_678.0887m/z 678.0887 7.35 1068.7940 952.5491 1069.7942 1048.7346 1086.5153 1052.3950 7.35_678.3392m/z 678.3392 7.35 773.5979 773.4520 742.9846 664.9588 707.7092 779.8351 7.35_678.5900m/z 678.5900 7.35 441.3995 405.7743 436.9743 395.9312 435.9406 450.5966 7.35_685.0362m/z 685.0362 7.35 184.6967 155.6733 188.4103 186.9111 156.1864 234.6133 7.35_685.3687m/z 685.3687 7.35 142.0984 155.1061 143.2953 137.7654 127.4649 169.5651 7.35_687.3242m/z 687.3242 7.35 248.7351 259.7215 246.6582 259.3027 196.4853 254.1639 7.35_752.7323m/z 752.7323 7.35 579.2481 571.9069 557.5004 572.1683 509.1849 572.9875 7.35_806.4143m/z 806.4143 7.35 431.9050 324.1461 416.0511 355.4900 415.5865 391.4171 7.35_806.7498m/z 806.7498 7.35 399.5965 474.8136 375.7006 397.4797 449.4784 396.4672 7.35_807.0844m/z 807.0844 7.35 204.7343 286.5355 256.5666 260.9127 232.1795 269.3771 7.35_903.4487m/z 903.4487 7.35 811.7822 803.4332 878.2399 872.0911 789.4013 872.2283 7.35_903.7836m/z 903.7836 7.35 970.8457 892.8067 1006.5021 960.1831 898.7296 1044.6335 7.35_904.1164m/z 904.1164 7.35 612.5979 603.7372 664.7722 685.3119 547.8187 678.9438 7.36_469.9064m/z 469.9064 7.36 105.4583 131.1486 134.8254 187.6965 118.1795 161.8026 7.36_687.5753m/z 687.5753 7.36 234.7449 257.7655 302.1510 269.9522 221.3394 285.9411 7.36_753.0651m/z 753.0651 7.36 255.4332 259.4687 230.2882 311.6969 266.7982 286.2589 7.37_469.5741m/z 469.5741 7.37 116.7182 127.8617 144.7053 103.2003 131.3198 165.8735 7.37_749.3838m/z 749.3838 7.37 1607.5458 1628.6558 1591.9326 1555.0165 1490.9593 1590.8427 7.38_567.7496m/z 567.7496 7.38 407.7290 365.1844 480.6605 361.9270 463.5932 502.2621 7.38_720.9822n 721.9895 7.38 4211.8873 4492.0470 4613.0993 4327.0786 4438.7682 4884.0907 7.38_722.6587m/z 722.6587 7.38 1211.9805 1362.4435 1361.1263 1413.7186 1393.6266 1500.0264 7.38_738.3467n 722.3241 7.38 2597.7133 2616.2855 2605.1491 2477.3429 2589.6935 2727.1428 7.38_743.3455m/z 743.3455 7.38 4289.5365 4524.3734 4486.1721 4375.5261 4349.1662 4783.5434 7.39_337.9388m/z 337.9388 7.39 322.1238 319.4028 346.0440 274.3163 369.5826 300.6938 7.39_454.5126m/z 454.5126 7.39 398.1860 350.0157 340.5327 441.9407 387.0213 399.6774 7.39_478.7136m/z 478.7136 7.39 660.2137 635.5438 599.4103 643.8371 629.8493 692.8692 7.39_486.6952m/z 486.6952 7.39 974.8358 1017.3836 1035.7453 963.7106 1055.0933 1143.0256 7.39_551.4801m/z 551.4801 7.39 246.2671 305.0796 308.2455 271.8908 298.8018 293.9328 7.39_551.7362m/z 551.7362 7.39 186.7103 213.3894 268.9657 266.6127 287.5799 316.2821 7.39_567.4969m/z 567.4969 7.39 491.8467 524.1063 545.4609 447.9737 503.1239 561.2548 7.39_662.2971m/z 662.2971 7.39 2036.7815 2084.7873 2123.4289 2179.3007 2198.5492 2230.7161 7.39_662.7957m/z 662.7957 7.39 1526.3647 1461.2736 1616.4442 1463.1027 1462.6670 1536.7811 7.39_681.7613m/z 681.7613 7.39 315.6973 335.8045 299.2405 310.6012 330.6644 341.8041 7.39_743.6794m/z 743.6794 7.39 3624.9860 3686.7052 3828.9601 3719.0279 3570.3037 4062.3693 7.39_934.4377m/z 934.4377 7.39 1108.5567 996.5254 1001.4683 938.9104 950.8230 913.4091 7.40_197.0134m/z 197.0134 7.40 1789.8726 1783.9027 1711.2689 1715.3071 1671.7536 1678.2729 7.40_366.9745m/z 366.9745 7.40 325.6813 311.1952 270.8701 246.0613 231.3487 299.6806 7.40_455.1779m/z 455.1779 7.40 179.2058 74.8864 124.9475 167.2904 152.0638 212.9607 7.40_510.7708m/z 510.7708 7.40 1643.3044 1669.7202 1677.1863 1685.5950 1583.3165 1747.9022 7.40_511.2688m/z 511.2688 7.40 847.4440 840.8538 882.0141 825.2477 890.5100 879.7874 7.40_522.2465m/z 522.2465 7.40 245.4137 220.0093 236.2329 202.4717 225.9103 230.2186 7.41_105.0344m/z 105.0344 7.41 1766.0361 1811.3025 1823.8189 1775.0733 1753.7938 1803.8452 C7H6O2 Benzoic acid Benzoic acid 30746 HIGH 7.41_177.9946n 160.9913 7.41 11622.1510 12015.0988 12053.0313 11774.6484 11575.1901 11913.5497 7.41_183.9824n 206.9962 7.41 4004.8522 3932.3766 4075.6773 3751.9540 3885.1211 3887.1373 7.41_195.0504m/z 195.0504 7.41 322.3195 379.4714 336.1643 313.1846 340.4386 324.0506 7.41_201.1457m/z 201.1457 7.41 558.6601 552.4317 575.2128 568.5861 576.8384 556.3063 7.41_208.0197n 191.0164 7.41 821.0006 771.6833 779.0772 790.0848 803.2759 868.6047 7.41_210.0179n 211.0195 7.41 1160.0013 1132.2656 1174.0427 1154.0909 1116.9416 1148.9837 7.41_244.6641m/z 244.6641 7.41 2908.0121 3005.7552 2958.7066 3036.4052 3019.0863 3108.3339 7.41_251.1501m/z 251.1501 7.41 726.1330 689.1979 696.1799 677.2977 724.0814 707.8448 7.41_269.6434m/z 269.6434 7.41 160.0694 171.6461 177.4846 148.9361 155.2966 157.1972 7.41_280.1827m/z 280.1827 7.41 764.9067 828.7815 833.2850 856.2315 836.8986 830.8837 7.41_280.6847m/z 280.6847 7.41 206.7613 251.6505 199.1621 223.6125 193.7784 222.8006 7.41_283.0285m/z 283.0285 7.41 2308.3140 2359.5300 2340.0705 2333.6607 2255.8123 2497.6064 7.41_288.2041m/z 288.2041 7.41 3305.7817 3371.4865 3471.2756 3414.7122 3467.7963 3575.1145 7.41_300.6442n 283.6409 7.41 306.8766 344.8636 304.6075 290.6650 317.4418 337.4395 7.41_304.1537m/z 304.1537 7.41 176.2639 188.3405 144.6150 146.1220 159.2511 181.0097 7.41_313.4075m/z 313.4075 7.41 195.5600 203.7167 210.9034 234.2928 195.1181 218.8132 7.41_314.9963n 297.9930 7.41 1439.0966 1548.5597 1483.8971 1420.8773 1385.2318 1441.1456 7.41_321.6540n 339.6729 7.41 1584.3459 1540.5564 1599.1203 1700.0338 1631.1526 1703.7234 7.41_327.1572m/z 327.1572 7.41 1267.5454 1298.5988 1235.2738 1308.5646 1302.6646 1266.2964 7.41_327.6589m/z 327.6589 7.41 345.4176 369.3155 376.5872 389.1143 352.6307 383.0426 7.41_330.1616n 313.1583 7.41 1042.1356 976.7524 1029.8557 1076.9374 1021.5889 1045.1626 7.41_330.6630n 353.6706 7.41 4856.0462 5067.5364 4976.8794 4947.4795 5102.1172 5198.0625 7.41_340.1718m/z 340.1718 7.41 755.5181 755.7878 749.6440 739.2396 743.3715 768.4871 7.41_354.1717m/z 354.1717 7.41 1357.9212 1454.3222 1469.5428 1449.0404 1456.5720 1480.0720 7.41_360.1840n 383.1878 7.41 482.5999 527.1570 483.5436 508.2366 523.1448 652.5086 7.41_360.8615m/z 360.8615 7.41 451.2313 401.6778 454.9735 450.2229 365.5267 401.3364 7.41_363.1772m/z 363.1772 7.41 1035.9124 1041.6672 1052.7034 1014.2148 1027.8862 1058.3287 7.41_379.5112m/z 379.5112 7.41 352.3450 360.9475 354.6524 388.4205 360.9066 383.5391 7.41_379.6792n 362.6759 7.41 2809.7876 2953.7274 2923.3419 2906.4037 2847.5412 3110.2510 7.41_383.6855m/z 383.6855 7.41 172.9018 148.5475 163.7481 157.2328 155.8100 182.7296 7.41_392.1943m/z 392.1943 7.41 962.6835 1013.2811 914.9615 971.6197 1027.6912 996.7691 7.41_392.5501m/z 392.5501 7.41 1273.2593 1253.3914 1213.0356 1253.4904 1254.6661 1254.3538 7.41_397.1868m/z 397.1868 7.41 912.4418 966.7573 975.4417 938.0304 988.0071 1022.4084 7.41_398.8877m/z 398.8877 7.41 12708.5091 13130.7771 12767.1992 13024.2485 13252.8222 13430.8577 7.41_399.5066n 417.5404 7.41 25177.1813 25225.7886 25438.5123 25229.1293 25402.2870 26145.1615 7.41_401.2880m/z 401.2880 7.41 4165.7132 4234.6869 4218.8113 4241.9140 4118.6406 4258.6771 7.41_404.5572m/z 404.5572 7.41 18963.4064 19534.0862 19384.9895 19648.3020 19810.1823 20027.2518 7.41_406.6935m/z 406.6935 7.41 834.5060 818.5320 786.0688 815.1076 837.7874 817.1172 7.41_406.8729m/z 406.8729 7.41 926.6370 937.9498 929.3317 991.0320 875.0185 1026.4863 7.41_415.5567n 398.5534 7.41 21086.9188 21760.6898 21316.6998 21641.3429 22422.5984 22537.9743 7.41_416.1986n 417.2059 7.41 36384.9449 36864.6094 37681.7349 37656.6380 37355.7129 38121.2608 7.41_417.8744m/z 417.8744 7.41 9028.8547 9266.1893 9258.3223 9296.9748 9167.6965 9688.0275 7.41_419.8100n 437.8439 7.41 2396.2767 2427.1297 2346.0194 2377.4311 2454.2128 2487.0640 7.41_421.8949n 404.8916 7.41 13993.5770 14204.1848 14216.8164 14204.9284 14567.2031 14591.0001 7.41_422.1949m/z 422.1949 7.41 3696.9289 3776.2756 3635.3184 3679.2531 3877.6602 3672.6282 C25H30N2O5 Quinapril 8713 MEDIUM 7.41_422.2291n 405.2258 7.41 7012.7471 7159.8099 7055.6973 7158.5835 7260.6829 7462.7810 7.41_424.1872n 425.1945 7.41 2294.0600 2198.0047 2234.9384 2296.8316 2265.9383 2333.0101 7.41_425.8612m/z 425.8612 7.41 1881.6416 1900.7349 1930.1843 1902.0845 1870.3134 1966.9474 7.41_428.9006n 412.8781 7.41 6679.7500 6780.1803 6903.7866 6695.8088 6715.7764 7019.3358 7.41_429.2167n 412.2134 7.41 2661.0046 2691.7717 2648.1257 2659.9977 2883.0695 2731.4984 7.41_429.5468n 412.5435 7.41 5599.3951 5820.8017 5623.0742 5737.2914 5759.8361 5790.9114 7.41_430.7033n 453.7290 7.41 1383.0348 1410.9793 1333.8921 1338.0130 1353.4850 1412.3265 7.41_431.1869n 432.1942 7.41 1478.6829 1521.8663 1571.8586 1584.7428 1617.4561 1656.0358 7.41_431.8598m/z 431.8598 7.41 1804.2637 1788.8034 1803.4146 1766.1572 1803.1083 1838.6835 7.41_433.1707n 416.1874 7.41 679.1158 625.6317 649.6901 607.4104 640.4895 691.4260 7.41_434.8439m/z 434.8439 7.41 1602.7271 1529.3042 1537.8706 1566.8278 1653.5953 1583.1160 7.41_435.5131m/z 435.5131 7.41 696.1487 598.2957 649.4525 691.2406 711.1899 714.9190 7.41_442.5321n 425.5288 7.41 2374.3356 2313.1707 2365.7145 2413.1270 2442.3519 2675.3008 7.41_444.7222m/z 444.7222 7.41 199.2403 204.8203 194.6617 240.3248 190.7856 229.7002 7.41_445.8347m/z 445.8347 7.41 399.2673 408.6396 403.1445 360.1915 331.0170 371.4006 7.41_446.5016m/z 446.5016 7.41 294.7736 280.8693 337.0203 378.2803 318.6615 331.6276 7.41_449.5275n 432.5242 7.41 1074.8019 975.9507 984.9101 1027.9530 1086.4413 1076.1621 7.41_452.1821n 435.1788 7.41 1584.1556 1518.1354 1558.8114 1630.3767 1605.9767 1766.0054 7.41_455.1825n 438.1793 7.41 2176.7015 2121.2795 2224.3123 2195.1235 2228.7872 2124.1928 7.41_458.8169n 442.8338 7.41 802.2601 838.3533 843.7791 888.6497 829.9329 907.9421 7.41_462.7355m/z 462.7355 7.41 1044.9029 1036.0748 1000.3767 1014.0411 1062.3523 1062.2374 7.41_463.2317m/z 463.2317 7.41 737.7930 743.5965 749.2050 768.9451 800.0079 777.5138 7.41_487.3097n 488.3203 7.41 14966.1729 15258.9207 15379.9776 15322.8891 15538.8271 15882.6272 7.41_500.2294m/z 500.2294 7.41 283.2384 296.7236 314.1467 273.5881 311.1483 370.2271 7.41_517.7396n 540.7838 7.41 731.2601 693.8182 822.7871 613.5908 736.7364 768.7885 7.41_529.7445m/z 529.7445 7.41 216.9653 207.1382 226.7757 181.8762 185.5998 130.6422 7.41_548.2312n 566.2734 7.41 3073.2289 3128.5419 3082.3762 2982.1776 3040.3976 3288.7766 7.41_549.7898m/z 549.7898 7.41 6940.9190 6662.4488 7209.5423 6933.9026 6746.2147 7132.9746 7.41_550.2909m/z 550.2909 7.41 3878.1204 3761.3701 4002.9094 3624.6362 3659.5250 3955.1698 7.41_558.2945n 559.3568 7.41 3427.1358 3416.0740 3541.7861 3531.1096 3494.9389 3568.0781 7.41_568.7621m/z 568.7621 7.41 859.3149 866.6811 932.2057 815.4862 814.2623 900.5817 7.41_596.3181n 619.3139 7.41 1368.5341 1343.6258 1413.6589 1342.2426 1389.8480 1380.0256 7.41_605.3244n 606.3317 7.41 295526.2092 298970.3823 310794.2906 302603.0013 300612.7845 310558.2493 7.41_605.8257n 606.8330 7.41 177563.2200 179970.2613 187351.1783 181692.2358 180308.9636 185948.7552 7.41_606.5360m/z 606.5360 7.41 5629.7255 5887.2527 6229.1000 6065.8780 5569.2059 5607.9737 7.41_613.8480n 636.7968 7.41 4626.4551 4566.3352 4727.5265 4659.9637 4581.0221 4699.2887 7.41_617.3218m/z 617.3218 7.41 10502.9078 10592.5112 10693.9040 10566.3648 10286.1872 10839.1547 7.41_617.8234m/z 617.8234 7.41 7270.8954 7221.6269 7431.4615 7164.5175 7145.8168 7444.8931 7.41_624.7998n 625.8071 7.41 5477.3368 5328.8624 5295.1356 5102.6957 4979.2417 5555.8975 7.41_625.3058m/z 625.3058 7.41 6284.6017 6110.5106 6302.5394 5957.3845 5935.3935 6199.6652 7.41_632.7876m/z 632.7876 7.41 2649.1498 2518.1836 2760.6773 2646.3831 2447.7632 2722.8229 7.41_633.2896m/z 633.2896 7.41 1895.3860 1842.6197 1885.7192 1819.0480 1804.8249 1926.0689 7.41_643.2726n 666.2612 7.41 2580.3250 2378.1827 2568.5795 2501.5322 2512.8360 2619.7601 7.41_644.7807m/z 644.7807 7.41 733.3105 753.3816 790.8530 691.3024 763.9882 752.5934 7.41_646.3887m/z 646.3887 7.41 2001.5001 1887.9738 1909.1874 1959.7670 1848.9301 1863.4199 7.41_651.3192n 635.2967 7.41 11103.5337 10978.1252 11045.6937 10573.6614 10750.4876 11444.6786 7.41_651.7639m/z 651.7639 7.41 453.6746 427.7716 493.4479 414.5220 421.9450 455.7218 7.41_653.3143m/z 653.3143 7.41 6161.9824 6401.4857 6341.1040 6166.6589 6238.2097 6461.1986 7.41_655.7572n 656.7645 7.41 1807.5536 1793.5522 1897.7161 1798.5618 1933.8772 1713.9786 7.41_664.2950n 647.2917 7.41 2666.2275 2731.1431 2522.7745 2586.7450 2573.9680 2673.9069 7.41_664.7521m/z 664.7521 7.41 441.5256 387.8795 505.3506 418.9576 419.0799 445.8335 7.41_670.7909n 654.7683 7.41 896.9085 770.4635 988.3920 842.1115 829.6362 829.9703 7.41_674.7583m/z 674.7583 7.41 598.4087 607.4473 577.6475 510.5971 474.3291 550.5953 7.41_680.2773n 698.2633 7.41 446.8601 415.7594 464.9074 358.2120 397.6275 359.4027 7.41_684.7653n 667.7620 7.41 1103.4519 1132.7965 880.1374 1165.3764 999.5318 1183.9173 7.41_723.3354n 724.3431 7.41 8541.1762 8559.8446 8502.2577 8385.7880 8385.0396 8644.1592 7.41_792.4365n 775.4332 7.41 6848.0849 6780.3399 6652.7368 6837.3387 6533.6720 6338.5590 7.41_811.3761m/z 811.3761 7.41 3090.8292 3172.8421 3172.9973 3125.8969 3171.6868 3105.0810 7.41_86.0976m/z 86.0976 7.41 341.3950 337.8733 337.7791 341.5315 349.1726 352.4452 7.41_961.5141m/z 961.5141 7.41 23765.1569 24037.3844 23000.0734 23677.7704 22185.0830 21465.2920 7.42_173.1282m/z 173.1282 7.42 163.6458 221.5862 184.7161 179.6460 155.6608 252.7729 C8H13NO2 Arecoline Arecoline 101022 MEDIUM 7.42_240.0085m/z 240.0085 7.42 375.2788 375.7671 372.4997 354.3112 383.4872 375.9706 7.42_318.1517m/z 318.1517 7.42 359.5634 387.9953 363.7490 384.1179 416.0716 346.0780 7.42_323.6991m/z 323.6991 7.42 331.0910 332.6328 332.0156 370.6468 324.7391 327.1442 7.42_372.1604m/z 372.1604 7.42 2137.0900 2087.5990 1901.5319 2126.1042 2020.2783 2072.0787 C19H22ClN5O Trazodone 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240.4687 155.4476 226.7763 108.2968 218.0782 7.44_839.0967m/z 839.0967 7.44 219.1919 139.9327 156.2607 170.8586 216.9948 130.9367 7.44_839.4259m/z 839.4259 7.44 213.9178 236.7284 230.8676 204.9411 152.7594 201.5636 7.44_874.3720m/z 874.3720 7.44 685.6760 725.1265 670.3072 675.4031 687.9969 716.3381 7.44_874.8739m/z 874.8739 7.44 311.9621 273.7822 360.8181 328.2502 336.3742 328.9582 7.45_503.6602m/z 503.6602 7.45 358.2325 377.4040 341.6014 292.7951 381.5115 346.7880 7.45_503.8598m/z 503.8598 7.45 578.2136 692.0554 580.3852 608.8172 585.0908 687.8462 7.45_504.0606m/z 504.0606 7.45 375.9095 364.3662 344.9711 369.1454 281.4116 302.2415 7.45_585.8079m/z 585.8079 7.45 568.5126 512.5464 477.1276 565.6319 463.9567 577.1130 7.45_591.6219m/z 591.6219 7.45 952.0683 1037.0138 1014.0455 983.5579 831.2413 1248.9815 7.45_629.5740m/z 629.5740 7.45 2813.4861 2853.5226 2704.4091 2772.1086 2717.9899 2881.4350 7.45_629.8227m/z 629.8227 7.45 2680.8820 2637.4977 2626.1674 2638.5666 2574.4822 2666.5388 7.45_630.0748m/z 630.0748 7.45 1077.6944 1046.9065 1088.7428 1013.0752 965.0431 957.6775 7.46_375.8898m/z 375.8898 7.46 1855.7930 1984.2485 1802.7141 1982.6849 2041.3104 1985.6794 7.46_376.2245m/z 376.2245 7.46 958.2274 1038.7330 964.4856 1099.7949 1031.7605 1062.3418 7.46_376.5588m/z 376.5588 7.46 364.4990 278.4570 278.4111 366.7651 325.1726 328.2370 7.46_388.8705m/z 388.8705 7.46 317.4920 242.0391 244.1815 254.6522 267.4916 281.3614 7.46_468.7565m/z 468.7565 7.46 222.9451 218.3866 239.4477 191.9635 195.6150 236.3424 7.46_471.2706m/z 471.2706 7.46 3966.1578 4139.0349 3461.3504 4066.7822 3795.2817 4047.6845 7.46_486.4545m/z 486.4545 7.46 427.2599 393.7434 448.7284 418.8953 405.6379 424.9341 7.46_527.8104m/z 527.8104 7.46 392.5158 395.7352 423.7351 398.5935 393.8859 438.2366 7.46_562.3236n 563.3309 7.46 2580.3737 2453.6694 2334.8287 2606.2978 2482.5924 2530.0907 7.46_563.8321m/z 563.8321 7.46 1261.9767 1325.4624 1103.6684 1260.4866 1199.9148 1241.4382 7.46_574.3207m/z 574.3207 7.46 456.7669 427.6709 428.6454 409.7704 420.4250 457.3437 7.46_574.8226m/z 574.8226 7.46 285.3346 296.8369 256.4592 276.4128 302.2011 316.3721 7.47_388.5394m/z 388.5394 7.47 237.3912 219.3875 240.1287 239.6195 242.4531 267.2268 7.47_468.2517m/z 468.2517 7.47 397.3717 408.4668 388.3000 431.0907 391.8122 431.5693 7.47_521.0131m/z 521.0131 7.47 190.8597 210.8043 159.6389 214.5954 238.4638 195.2378 7.47_521.5139m/z 521.5139 7.47 90.8441 160.7377 103.0428 132.9533 155.2326 122.8941 7.47_530.4955m/z 530.4955 7.47 181.7684 202.8193 210.3675 257.1163 142.6347 213.8606 7.47_530.7511m/z 530.7511 7.47 323.2313 343.8856 266.0801 313.2446 288.1232 307.5434 7.47_538.2666n 521.2633 7.47 573.8041 525.0305 533.6893 536.4820 509.7588 573.5872 7.47_694.6827m/z 694.6827 7.47 1829.2359 1828.2672 1736.0617 1861.1430 1801.3447 1773.0138 7.47_695.0164m/z 695.0164 7.47 957.2290 916.7687 963.8428 972.3975 944.1336 948.9172 7.47_710.3694n 694.3468 7.47 2317.9062 2325.1618 2319.0023 2368.0947 2406.6501 2453.2465 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200.3200 164.5864 188.4524 164.8432 185.4848 7.49_845.8894m/z 845.8894 7.49 678.6524 674.5538 672.1954 626.9476 594.1260 682.3634 7.49_846.3927m/z 846.3927 7.49 492.9380 461.5734 518.3583 458.5327 500.1124 543.7862 7.50_486.9333m/z 486.9333 7.50 136.7988 66.4578 88.3372 85.9640 111.5769 118.5024 7.51_493.2537m/z 493.2537 7.51 106.8449 161.7792 74.2651 121.9279 111.3123 136.7777 7.51_589.0454n 607.0792 7.51 4073.3395 3970.5182 3282.9952 3627.9937 3364.7053 3788.4395 7.51_606.5781m/z 606.5781 7.51 4548.2141 4358.8511 3688.6118 4072.7891 3613.6971 4119.4988 7.51_612.3231m/z 612.3231 7.51 254.0432 226.0027 254.7928 232.9805 127.2980 246.3903 7.51_612.5723m/z 612.5723 7.51 146.0171 174.0408 166.5983 183.3800 85.3056 164.3100 7.51_612.8211m/z 612.8211 7.51 152.7535 132.0767 126.9405 146.0681 101.7716 154.1773 7.51_616.0660m/z 616.0660 7.51 359.1979 356.2329 287.2890 318.7269 318.0651 365.8114 7.51_616.5671m/z 616.5671 7.51 371.6018 304.1973 329.3872 338.4044 254.1469 372.1502 7.51_616.8148m/z 616.8148 7.51 167.9788 169.0713 140.4940 194.3019 101.9089 156.8881 7.51_619.8034m/z 619.8034 7.51 173.7559 132.3911 151.8035 93.5585 73.2040 119.4046 7.51_620.3086m/z 620.3086 7.51 106.6457 145.5385 132.2833 155.6249 88.4867 74.5250 7.51_741.7314m/z 741.7314 7.51 707.5772 752.3838 820.9354 683.2440 657.1472 754.4014 7.51_742.0652m/z 742.0652 7.51 554.8551 621.5065 735.0956 601.8422 574.5421 666.6758 7.51_742.3994m/z 742.3994 7.51 423.2521 466.2003 467.3117 372.6557 420.7524 447.9678 7.51_808.4350m/z 808.4350 7.51 1350.7300 1533.6145 1516.3679 1655.4896 1417.8959 1534.6632 7.51_809.1045m/z 809.1045 7.51 874.4651 843.4122 794.2597 845.1379 729.2898 756.2589 7.54_345.4700m/z 345.4700 7.54 130.8380 128.6860 107.8582 145.7552 140.7806 143.1197 7.54_499.2279m/z 499.2279 7.54 1380.3311 1445.8589 1393.6240 1444.3121 1403.5756 1502.2433 7.54_517.7006m/z 517.7006 7.54 426.4340 506.2442 496.1271 453.2604 419.2059 504.4562 7.54_534.1746n 552.2085 7.54 905.4009 1089.6577 1166.6744 1258.6760 1195.2065 1209.4095 7.54_534.5090n 552.5428 7.54 726.0668 816.1233 900.7151 849.7135 842.3313 915.2610 7.54_534.8419n 552.8757 7.54 297.3099 397.4231 397.8635 425.4468 435.8307 386.0916 7.54_546.8846m/z 546.8846 7.54 471.0486 577.7993 645.5302 521.4816 520.1907 613.6332 7.54_560.8631m/z 560.8631 7.54 70.9591 91.4300 69.6843 85.9093 115.6457 128.7033 7.54_564.2234n 547.2201 7.54 412.4707 470.3065 562.2871 487.7065 411.8756 600.2953 7.54_808.3302n 809.3375 7.54 3022.8607 3358.5019 3704.9528 3619.0287 3615.2406 3782.4919 7.54_808.8320m/z 808.8320 7.54 4480.1918 4890.9578 4862.8340 4786.1741 4964.3629 5180.3074 7.54_819.8243m/z 819.8243 7.54 521.6446 621.6358 686.4381 661.4478 561.8751 732.2204 7.54_835.3599m/z 835.3599 7.54 320.5372 384.8034 351.9662 315.0975 338.9841 331.5930 7.55_447.7809m/z 447.7809 7.55 300.4788 302.6108 249.4916 222.9746 251.6251 302.6604 7.55_498.7265m/z 498.7265 7.55 2592.2508 2586.8632 2593.9038 2603.4407 2645.1138 2746.2294 7.55_509.7174m/z 509.7174 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7.57_444.2807m/z 444.2807 7.57 1124.0758 1144.9627 1167.1393 1143.8127 1171.3675 1152.1642 7.57_564.6517m/z 564.6517 7.57 271.7247 266.1128 232.0582 226.4688 240.8479 223.7425 7.58_391.6904m/z 391.6904 7.58 578.4002 593.3225 614.6937 605.7306 663.9134 654.7745 7.58_399.6735m/z 399.6735 7.58 855.2730 906.8918 996.3226 873.2158 990.4750 922.3989 7.58_400.1750m/z 400.1750 7.58 310.4090 365.5020 358.5562 332.1423 360.0648 348.1213 7.59_220.1123m/z 220.1123 7.59 257.2733 290.9647 252.2460 271.3209 273.5277 238.8564 7.59_598.5401m/z 598.5401 7.59 181.6728 191.7540 208.8940 174.9830 182.9276 178.8352 7.59_598.7916m/z 598.7916 7.59 139.2977 163.1836 128.7786 141.5286 133.0130 168.8170 7.59_760.3911m/z 760.3911 7.59 2075.1312 2189.5778 2119.2605 2133.4394 2026.6312 2033.8690 7.61_381.8994m/z 381.8994 7.61 344.2362 303.7826 343.8380 325.0466 309.1331 270.8566 7.61_387.2067m/z 387.2067 7.61 240.4021 255.2297 217.2110 247.7166 231.7334 241.3191 7.61_539.2676m/z 539.2676 7.61 1494.5144 1440.4634 1450.9103 1484.2171 1416.4119 1712.4220 7.61_743.6731m/z 743.6731 7.61 331.2390 403.0619 405.0014 436.4912 393.7353 360.8541 7.61_744.0069m/z 744.0069 7.61 280.5926 254.8097 334.2712 280.3619 281.8650 251.9463 7.61_744.3394m/z 744.3394 7.61 135.5045 208.0081 218.7928 178.5021 176.9168 171.6292 7.62_315.1442m/z 315.1442 7.62 489.8043 460.6881 468.9137 457.6869 491.2714 521.0802 7.62_315.4789m/z 315.4789 7.62 45.2095 60.9638 68.7810 46.5638 99.1209 86.1951 7.62_443.7336m/z 443.7336 7.62 258.5360 300.9221 266.8965 211.4445 255.1066 260.4343 7.62_614.3400m/z 614.3400 7.62 409.0262 467.5781 367.4505 390.7748 317.3118 430.5939 7.62_638.3253m/z 638.3253 7.62 375.1296 434.8008 394.6625 337.4225 345.3636 343.3612 7.62_642.3367m/z 642.3367 7.62 2038.1926 2255.7005 2102.2187 2160.6836 2155.0979 2016.9021 7.63_263.1383m/z 263.1383 7.63 522.8228 537.0397 510.6213 460.7292 496.6191 507.2376 C14H18N2O3 Methohexital Methohexital 102216 MEDIUM 7.63_271.1313m/z 271.1313 7.63 534.8378 543.6654 584.2210 563.2028 566.7262 709.7137 7.63_271.6322m/z 271.6322 7.63 64.4474 79.1762 71.2597 66.3790 68.2455 95.0629 7.63_386.7062m/z 386.7062 7.63 405.4290 412.1082 443.6221 472.9666 467.0206 473.2663 7.63_451.7313n 452.7386 7.63 18862.9865 18639.6737 18671.4050 18479.4372 19023.9742 18968.3333 7.63_453.2400m/z 453.2400 7.63 7792.0627 7859.9032 8046.4594 7697.6443 7973.6605 8014.9108 7.63_463.2227n 464.2300 7.63 1389.6539 1365.7138 1456.6099 1452.2077 1443.7572 1587.0095 7.63_463.7305m/z 463.7305 7.63 2772.1911 2654.3738 2752.7361 2697.9628 2833.1983 2936.7415 7.63_479.6981m/z 479.6981 7.63 233.8010 301.3065 207.0411 259.9657 264.8098 242.6073 7.63_485.7092m/z 485.7092 7.63 374.9732 369.3823 456.9157 401.3690 481.2286 462.0469 7.63_502.2993n 525.2892 7.63 6445.0385 6427.1463 6658.2356 6493.9705 6501.1593 8301.3376 7.63_555.2931m/z 555.2931 7.63 547.1016 576.8144 621.2677 634.5286 569.2353 646.3710 7.63_637.8234m/z 637.8234 7.63 524.0088 566.4213 600.1547 494.1193 549.0113 541.2986 7.64_285.1947n 286.2019 7.64 10891.9582 11598.8649 12094.4714 11755.7924 11537.9897 10986.7579 7.66_308.0517m/z 308.0517 7.66 385.2045 445.3174 386.5506 399.2317 387.5966 424.5838 7.66_555.8057m/z 555.8057 7.66 2159.7931 2164.9917 2319.0000 2246.9961 2270.6470 2396.9591 7.66_556.3070m/z 556.3070 7.66 1360.7270 1370.7911 1209.3246 1232.9907 1274.1289 1363.2703 7.67_506.5082m/z 506.5082 7.67 331.7361 305.6484 315.5993 300.0616 332.3746 354.1259 7.67_506.7592m/z 506.7592 7.67 381.6935 420.1351 397.2800 357.5246 386.3398 457.8467 7.67_507.0097m/z 507.0097 7.67 224.0166 218.9408 201.6367 152.1599 216.6163 218.5517 7.67_608.8106m/z 608.8106 7.67 239.6923 293.5948 313.8854 302.9780 291.4412 357.4661 7.67_675.0080m/z 675.0080 7.67 318.9546 242.6910 220.0919 261.0587 241.9329 292.5427 7.68_132.1024m/z 132.1024 7.68 343.5200 329.2928 346.0201 329.7165 365.8335 357.8938 C6H10O2 3-methyl-4-pentenoic acid HIGH 7.68_327.4775m/z 327.4775 7.68 1815.4909 1828.4013 1894.8352 1934.3590 1894.0917 1910.7139 7.68_327.8123m/z 327.8123 7.68 1033.3847 1038.6965 1092.8667 1060.6251 1101.9159 1027.3816 7.68_397.1855m/z 397.1855 7.68 706.4261 699.2362 728.2700 757.7072 729.7995 775.6687 7.68_397.6874m/z 397.6874 7.68 274.5713 263.6017 286.9729 238.6166 285.2815 264.6704 7.68_406.1915m/z 406.1915 7.68 893.3582 860.3220 924.6808 937.0135 938.2985 971.6094 7.68_406.6931m/z 406.6931 7.68 384.0260 368.3566 416.0379 386.8461 411.6533 398.4857 7.68_434.1699m/z 434.1699 7.68 385.3141 361.1026 334.8519 344.1846 404.3537 395.7075 7.68_463.2341m/z 463.2341 7.68 441.3691 462.0241 487.6598 473.7144 500.6374 462.9374 7.68_470.7272n 471.7345 7.68 9049.4476 9196.4802 9124.9820 8969.4091 8991.6615 9303.9359 7.68_479.7370n 502.6946 7.68 1934.7539 1898.6239 1747.0632 1769.0222 1829.9644 1831.3603 7.68_482.7289m/z 482.7289 7.68 3507.1308 3613.7252 3302.6445 3212.7992 3542.6845 3590.0160 7.68_489.7047n 490.7120 7.68 2822.1074 2856.0919 2481.0819 2618.0685 2709.0521 2602.6602 7.68_491.2134m/z 491.2134 7.68 1237.4942 1274.5976 1088.9202 1066.0813 1164.5426 1185.2306 7.68_498.1937m/z 498.1937 7.68 370.9009 373.7410 397.9760 394.7923 387.0960 390.2157 7.68_498.6992m/z 498.6992 7.68 576.1256 568.1042 552.2249 500.8456 550.2837 528.1790 7.68_608.5592m/z 608.5592 7.68 559.9807 532.5633 524.2435 507.2991 441.0423 628.9503 7.68_609.0621m/z 609.0621 7.68 147.5226 123.2819 165.6846 77.5106 27.3966 192.2120 7.68_675.6747m/z 675.6747 7.68 164.3184 161.7817 168.4338 182.4926 175.2038 198.7518 7.68_942.4681m/z 942.4681 7.68 1054.8909 1023.2436 1040.9031 911.5595 886.7651 874.7103 7.69_328.1453m/z 328.1453 7.69 350.3112 324.2132 335.5650 334.7940 380.1543 359.6441 7.69_434.6709m/z 434.6709 7.69 138.3628 122.0275 105.2993 110.5044 116.5878 106.8767 7.69_483.2291m/z 483.2291 7.69 1958.7505 1936.1953 1980.2082 1850.7699 1857.7776 2027.6262 7.69_697.2821n 698.2902 7.69 2857.2360 2907.0947 2783.0711 2823.9880 2841.0287 2835.8062 7.69_810.3616n 811.3752 7.69 4217.2119 4220.0572 4109.6550 4223.6493 4076.2853 4174.4634 7.71_569.2927m/z 569.2927 7.71 987.0316 917.1341 938.6265 917.4808 996.2281 971.9266 7.71_569.7941m/z 569.7941 7.71 485.1545 468.7425 501.4018 462.1203 427.5275 432.6093 7.72_741.9451m/z 741.9451 7.72 412.2938 454.9555 489.7163 383.2892 499.6301 566.9988 7.72_927.1790m/z 927.1790 7.72 182.5895 139.8819 139.8441 131.3860 186.4838 113.5723 7.72_927.6821m/z 927.6821 7.72 86.8402 107.6439 112.9140 121.1606 117.6148 52.8961 7.73_502.9316m/z 502.9316 7.73 226.3729 228.9347 177.1427 215.9487 198.6069 186.6800 7.74_221.0806m/z 221.0806 7.74 490.2621 456.2191 469.8673 454.4748 461.4798 467.7137 7.74_502.5982m/z 502.5982 7.74 278.6302 241.4381 285.8988 218.5865 307.2737 257.3476 7.74_759.8449m/z 759.8449 7.74 684.7169 709.0644 670.1475 673.0717 634.0916 698.5812 7.74_760.3475m/z 760.3475 7.74 480.3683 439.3452 481.2566 454.8483 441.3957 493.4469 7.74_771.3381m/z 771.3381 7.74 177.7210 183.0259 183.4341 174.2087 204.9991 227.8075 7.75_519.5474m/z 519.5474 7.75 243.5525 185.3831 249.2757 193.4337 231.4039 281.2284 7.75_529.6374m/z 529.6374 7.75 436.8711 500.8016 512.9036 542.5126 511.6125 571.5264 7.76_171.1496m/z 171.1496 7.76 162.8785 147.7659 171.0630 170.0633 166.4081 140.0481 7.76_352.1346m/z 352.1346 7.76 261.5915 241.8205 249.3163 252.4105 238.5688 251.4204 7.76_404.5561m/z 404.5561 7.76 209.6968 265.2730 249.1208 251.9468 252.7742 205.7986 7.76_529.3029m/z 529.3029 7.76 664.4386 684.7288 638.7298 690.4992 697.1121 648.6204 7.76_529.9721m/z 529.9721 7.76 178.6944 138.6988 160.7612 202.7867 174.1740 195.0936 7.76_546.0287m/z 546.0287 7.76 2300.8934 2296.6631 2625.1198 2505.4396 2368.9687 2393.2041 7.76_607.8303m/z 607.8303 7.76 513.3030 375.2797 259.9144 301.9294 287.6095 294.0369 7.76_665.3137m/z 665.3137 7.76 718.3438 704.2707 703.9225 651.5046 630.1054 695.5933 7.77_417.2058m/z 417.2058 7.77 763.5654 875.4665 912.3151 884.7930 919.5895 909.1414 7.77_417.5394m/z 417.5394 7.77 534.4278 524.3300 564.1911 578.7247 554.3202 573.6224 7.77_522.7493n 545.7778 7.77 3541.9454 3608.2973 4223.5644 4121.4821 3846.2757 3715.8786 7.77_531.7779m/z 531.7779 7.77 780.2306 752.0718 730.7762 780.7786 722.5214 893.6753 7.77_589.9778m/z 589.9778 7.77 155.9365 312.9025 458.0534 426.1904 459.1803 508.5428 7.77_707.9736m/z 707.9736 7.77 743.0286 1245.2733 1198.4074 1283.2955 1301.6136 1408.1766 7.77_708.1726m/z 708.1726 7.77 181.5953 471.6330 483.2797 433.8137 477.2198 599.9942 7.77_727.3676m/z 727.3676 7.77 1362.7086 1410.2034 1561.5821 1494.8935 1528.3536 1294.5247 7.77_727.7029m/z 727.7029 7.77 1063.4512 1199.8803 1285.0149 1224.6744 1329.3012 1223.6545 7.77_728.0363m/z 728.0363 7.77 735.4861 866.6082 756.2235 917.5035 770.0189 812.3638 7.78_475.7382m/z 475.7382 7.78 140.7788 158.6830 167.4721 176.3524 152.4849 192.7603 7.78_523.2471n 546.2792 7.78 2728.6852 2848.2193 2937.8238 2871.0806 2676.8893 2925.6141 7.78_546.5281m/z 546.5281 7.78 937.2576 974.5003 957.5182 919.7297 885.5636 964.1032 7.78_555.2659m/z 555.2659 7.78 184.3657 202.3315 208.1304 205.6687 180.4020 278.8790 7.78_604.6060n 622.6398 7.78 622.6607 602.3685 496.6889 553.3798 525.2177 638.7522 7.78_604.9379n 627.9598 7.78 435.6918 437.9807 370.2842 410.1550 339.8658 446.4456 7.78_614.9781m/z 614.9781 7.78 2371.7269 2336.0075 2355.8282 2318.5762 2166.4691 2415.9347 7.78_615.3075m/z 615.3075 7.78 2176.1374 2241.5432 2398.8729 2200.9204 2331.5302 2327.6363 7.78_615.6458m/z 615.6458 7.78 1132.1886 1060.7960 1094.6326 1072.8262 1088.6761 1153.1449 7.78_622.3056m/z 622.3056 7.78 585.4509 571.8757 553.7732 527.0128 467.7173 555.9930 7.78_628.2927m/z 628.2927 7.78 236.7122 288.1525 320.5358 273.4064 219.0319 244.2297 7.79_286.2016m/z 286.2016 7.79 1645.8933 1764.7418 1739.4524 1692.4021 1623.7207 1576.1705 C20H30O2 Methyltestosterone 27436 MEDIUM 7.79_343.1890m/z 343.1890 7.79 560.9326 529.2817 527.7477 560.4255 549.7051 562.0249 7.79_343.6909m/z 343.6909 7.79 103.3379 106.3927 134.1287 128.9672 157.0501 124.8058 7.79_467.2530m/z 467.2530 7.79 2684.0916 2658.6446 2612.8971 2620.7449 2672.6333 2737.3275 7.79_467.7545m/z 467.7545 7.79 1361.2606 1383.7600 1411.3981 1418.8336 1325.2488 1449.2849 7.79_478.2399m/z 478.2399 7.79 249.6855 265.3291 266.8310 257.1904 256.5564 280.0029 7.79_486.2258m/z 486.2258 7.79 375.3289 415.6092 377.6329 390.0708 399.7419 467.4740 7.79_486.7275m/z 486.7275 7.79 216.3710 212.5325 202.6998 206.2660 203.0279 191.1117 7.79_707.5721m/z 707.5721 7.79 214.3094 328.8456 290.4658 274.0965 225.8672 310.2045 7.80_402.2233m/z 402.2233 7.80 292.5671 286.6271 292.8664 307.8366 323.4567 299.2006 7.80_707.7734m/z 707.7734 7.80 971.5122 1381.8695 1536.1121 1479.4140 1591.8067 1581.1913 7.81_218.2121m/z 218.2121 7.81 196.4214 180.5042 170.9975 173.9776 168.4287 179.3980 7.81_535.7266m/z 535.7266 7.81 393.6253 361.4386 414.5803 372.6163 335.6809 373.7520 7.81_547.2199m/z 547.2199 7.81 222.9480 234.1517 212.1116 236.7430 240.0087 186.6000 7.81_554.7000m/z 554.7000 7.81 323.8077 397.1805 385.4396 373.1174 384.2015 415.4723 7.82_711.6601m/z 711.6601 7.82 145.3233 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350.7950 345.5821 338.2920 365.0868 316.2877 341.2112 7.93_528.8219n 551.8476 7.93 641.4563 567.9246 624.6483 592.7922 604.1228 608.5503 7.93_535.8681m/z 535.8681 7.93 717.1843 664.6431 742.9830 717.6007 640.0477 657.8101 7.93_536.2025m/z 536.2025 7.93 923.9378 994.9670 1012.0666 1025.0853 924.6930 936.5629 7.93_536.5335m/z 536.5335 7.93 426.2454 412.6864 413.9077 373.6578 338.8084 395.1899 7.93_539.5313m/z 539.5313 7.93 478.7758 425.2433 418.8583 425.9110 419.1625 472.4866 7.93_542.5549n 543.5261 7.93 1098.2899 1043.2239 952.6001 1063.7191 912.6150 992.5274 7.93_542.8881n 543.8586 7.93 1025.1553 1052.9884 1020.0398 1012.0253 1001.8012 1049.9738 7.93_543.2183n 526.2150 7.93 1033.9142 1005.6109 973.3131 926.6901 920.8160 1053.9582 7.93_547.8802n 530.8769 7.93 5165.0889 5077.1485 5321.1420 5370.6430 5132.8731 5428.9291 7.93_548.2154n 531.2121 7.93 3816.3131 3581.4063 3828.4352 3750.1353 3826.9164 3980.9963 7.93_548.5151m/z 548.5151 7.93 300.9402 334.8791 307.2846 337.6784 248.8170 355.6586 7.93_550.5470n 551.5150 7.93 602.4820 632.9919 612.9739 615.9545 594.6506 631.4890 7.93_552.1840m/z 552.1840 7.93 386.2932 326.0505 353.1085 350.0401 362.5061 262.8012 7.93_555.8672n 538.8639 7.93 1111.5394 1095.0173 1048.3307 1169.8881 1036.5889 1122.1959 7.93_556.2021n 539.1988 7.93 987.2795 1036.8115 1074.5802 988.4156 972.0198 1037.4697 7.93_768.3290m/z 768.3290 7.93 717.0651 713.0435 632.4009 608.5817 581.9606 584.6807 7.93_775.8310n 776.8383 7.93 12687.0940 12474.1970 12712.2692 12714.2164 12091.8257 12458.6332 7.93_776.3328n 777.3400 7.93 7882.1911 7691.0594 7869.0461 7906.4994 7534.7928 7885.4938 7.93_785.2618n 808.2996 7.93 1461.8331 1444.3763 1427.7256 1289.3937 1341.5760 1272.6621 7.93_785.8359n 803.7971 7.93 923.0864 777.2878 728.1104 850.2678 769.6056 691.1591 7.93_787.8292m/z 787.8292 7.93 6170.4846 6291.9810 6248.1757 6408.3959 6066.8127 6018.9302 7.93_788.3431m/z 788.3431 7.93 5256.6772 5003.8285 5121.0103 5192.1255 4939.2126 5107.5072 7.93_795.8122m/z 795.8122 7.93 1400.6081 1323.3513 1342.7994 1377.1556 1292.5899 1335.9280 7.93_796.3139m/z 796.3139 7.93 931.3487 861.1250 890.1736 889.5900 891.5362 836.5747 7.93_807.7972m/z 807.7972 7.93 1249.4971 1152.7694 1183.0165 1185.5251 1176.2292 1193.3756 7.94_293.1418m/z 293.1418 7.94 423.1443 426.5133 454.2175 427.7923 464.1864 567.7538 7.94_296.1516m/z 296.1516 7.94 191.7756 214.9257 225.3544 192.5272 198.3628 270.5916 C15H18O5 Coriamyrtin HIGH 7.94_304.1351m/z 304.1351 7.94 127.1389 124.4446 135.0866 127.6364 154.1014 197.5773 7.94_499.2393m/z 499.2393 7.94 767.3690 802.3067 901.1723 868.2127 820.3264 893.6660 7.94_499.5736m/z 499.5736 7.94 162.3308 240.8571 197.0435 195.1339 173.9575 209.1936 7.94_499.8049m/z 499.8049 7.94 484.7436 432.5236 379.8920 350.9531 385.8245 437.8323 7.94_569.3146m/z 569.3146 7.94 3781.4651 3596.6588 3734.3510 3836.2898 3741.4791 5194.6137 7.95_281.6535m/z 281.6535 7.95 878.8783 874.9174 944.2361 916.2459 929.3059 918.4256 7.95_282.1568m/z 282.1568 7.95 454.0496 473.5636 476.1251 481.4984 512.6065 488.1850 7.95_391.2191m/z 391.2191 7.95 407.8954 407.6012 397.6561 438.6080 436.9820 440.4025 7.95_408.7243n 426.7552 7.95 429.3445 429.1770 374.9514 455.1766 384.7602 331.1905 7.95_427.2536m/z 427.2536 7.95 148.6413 137.4504 156.4296 105.3562 154.9129 140.5182 7.95_440.7527m/z 440.7527 7.95 3060.5426 2936.2069 3138.6345 3062.0783 3023.0787 3289.4857 7.95_471.2215n 494.2511 7.95 2925.5202 2865.2111 3026.6766 3084.1149 2889.2884 3066.6933 7.95_481.2679m/z 481.2679 7.95 10148.5591 10145.7760 10233.4023 10506.5271 10227.2930 10695.7277 7.95_481.6022m/z 481.6022 7.95 7381.0477 7385.9761 7778.0952 7691.1810 7782.3014 7723.6533 7.95_493.9170m/z 493.9170 7.95 2873.7805 2862.6618 3113.7239 3022.5886 2930.5632 3141.7607 7.95_497.9584n 481.9358 7.95 4392.3860 4282.7269 4515.1171 4661.1074 4493.9251 4640.3748 7.95_501.9038m/z 501.9038 7.95 473.9212 558.2218 527.0616 505.5747 463.2392 488.7025 7.95_505.5977n 488.5944 7.95 1179.5072 1094.6792 1264.5130 1310.3188 1285.7069 1341.8829 7.95_505.9310n 488.9277 7.95 850.8297 784.2049 853.2503 945.8743 831.3296 993.6698 7.95_562.2983m/z 562.2983 7.95 4428.8173 4345.3924 4538.2876 4646.3585 4542.9942 4597.4037 7.95_609.8038m/z 609.8038 7.95 392.9198 327.3659 268.7396 353.1065 263.0346 294.7606 7.95_721.8997m/z 721.8997 7.95 4500.9611 4643.0547 4636.5613 4634.6392 4424.8975 4657.4561 7.95_732.8899m/z 732.8899 7.95 330.3659 388.2944 377.8740 308.1990 323.3296 341.4869 7.95_740.3674m/z 740.3674 7.95 350.0012 331.6194 365.4434 373.9208 348.6720 334.2231 7.95_781.4282m/z 781.4282 7.95 1371.9339 1365.0842 1391.9607 1401.2539 1414.0234 1466.5159 7.96_179.0694m/z 179.0694 7.96 451.1772 456.2974 489.5366 494.8595 465.1029 483.3406 C9H10O2 4-Hydroxy-3-methoxycinnamaldehyde HIGH 7.96_256.0953n 279.0864 7.96 3875.9393 3666.2294 3831.9238 3754.5566 3707.8829 3643.5188 7.96_277.0391m/z 277.0391 7.96 652.6653 781.3334 808.2943 844.6918 791.9545 706.5952 7.96_435.8866m/z 435.8866 7.96 324.6668 346.7768 348.8337 324.9041 368.7187 365.2314 7.96_436.2217m/z 436.2217 7.96 215.7459 182.1243 218.0346 223.0809 197.6729 201.9016 7.96_502.5715m/z 502.5715 7.96 246.8360 197.5774 216.4289 272.1215 281.7703 240.5543 7.96_634.3543m/z 634.3543 7.96 2054.4299 2203.6437 2119.4705 2219.7832 2204.6472 2299.3178 7.96_634.8559m/z 634.8559 7.96 1273.6914 1288.6368 1274.9876 1406.0786 1235.1150 1441.3771 7.96_720.3898n 721.3970 7.96 7190.9681 7401.0511 7502.9327 7586.2888 7271.6684 7355.8652 7.96_732.3873m/z 732.3873 7.96 684.5740 730.6321 653.0762 722.3191 625.4533 651.7407 7.96_880.4924m/z 880.4924 7.96 1070.8098 1026.6066 1036.8646 1110.1529 1015.3710 1101.9910 7.98_650.3503m/z 650.3503 7.98 513.8062 522.2781 515.7696 527.0043 478.1220 602.0288 7.98_650.6043m/z 650.6043 7.98 172.7151 216.5095 188.0694 201.7131 173.6716 268.4140 7.99_879.4225m/z 879.4225 7.99 274.8826 350.1830 329.7434 344.0742 332.9032 302.2400 7.99_879.6746m/z 879.6746 7.99 318.6614 287.4728 233.7517 299.8276 284.9588 344.2430 7.99_879.9233m/z 879.9233 7.99 165.6658 141.0561 150.6806 83.7171 25.7706 87.6475 7.99_888.9089m/z 888.9089 7.99 155.8979 198.4211 163.6002 164.1376 217.4119 182.2705 7.99_889.1623m/z 889.1623 7.99 178.5680 204.7456 214.9400 82.7688 95.4738 85.9092 8.00_597.2961m/z 597.2961 8.00 1690.6952 1714.9327 1860.6310 1725.2090 1707.9712 1762.1751 8.00_597.7785m/z 597.7785 8.00 530.5367 476.0623 454.9572 467.1713 479.4050 524.0864 8.01_188.1529n 211.1307 8.01 1255.0543 1250.9328 1341.5892 1473.7826 1486.5541 1596.1832 C9H20N2O2 Propamocarb HIGH 8.02_490.2427m/z 490.2427 8.02 524.6636 526.5300 516.6354 538.8862 553.7289 490.0178 8.02_490.5744m/z 490.5744 8.02 210.9952 258.9208 224.9891 232.5114 262.1083 216.8108 8.02_602.8395m/z 602.8395 8.02 758.6924 725.6858 749.7130 746.3610 712.6482 786.3403 8.02_650.0998m/z 650.0998 8.02 344.3976 314.8399 362.5368 409.0841 384.2534 442.2821 8.02_652.3240m/z 652.3240 8.02 467.3023 486.7816 498.3273 540.4438 538.4422 591.9802 8.02_734.8551m/z 734.8551 8.02 264.7325 238.2608 248.6438 248.9746 213.4417 315.8237 8.04_109.0241m/z 109.0241 8.04 410.0888 427.4247 481.4731 449.6757 465.4168 460.0401 C6H7NO2 Ethyl cyanoacrylate MEDIUM 8.04_348.4330m/z 348.4330 8.04 178.7337 188.2146 169.8822 202.1442 177.7392 152.7718 8.04_348.6848m/z 348.6848 8.04 116.1879 131.4290 63.3867 94.8837 105.3642 107.4558 8.04_352.1829m/z 352.1829 8.04 306.9851 330.7221 281.9448 351.2330 357.9263 348.1229 8.04_352.4342m/z 352.4342 8.04 89.4726 115.2229 80.5776 107.8125 102.7775 91.9976 8.04_408.2402m/z 408.2402 8.04 10791.1329 11950.6410 11132.2563 12378.6467 11666.3968 12274.3085 8.04_408.5746m/z 408.5746 8.04 6802.2808 7758.1300 7160.5062 7942.0006 7524.9979 7864.9785 8.04_421.2290m/z 421.2290 8.04 221.1109 165.0826 185.2843 203.1434 192.5002 192.0861 8.04_450.2541m/z 450.2541 8.04 1034.3248 1060.0459 1106.6090 1201.0467 1092.2349 1241.7157 8.04_450.5885m/z 450.5885 8.04 656.9583 701.6980 665.9165 704.6164 722.3026 652.4881 8.04_450.8736n 468.9074 8.04 3834.7430 3969.5966 3804.0559 4215.8505 4064.5583 4051.4336 8.04_455.2512n 456.2585 8.04 11643.3588 12175.0405 11386.6862 12837.1316 12417.9066 12790.3652 8.04_456.9273m/z 456.9273 8.04 3232.3055 3477.2551 3177.9672 3473.8362 3448.4225 3581.1736 8.04_463.5841m/z 463.5841 8.04 561.6520 661.2867 572.3551 655.8422 620.5176 634.2470 8.04_463.9074m/z 463.9074 8.04 591.6844 633.0443 574.5303 697.3076 619.6004 635.0727 8.04_464.2409m/z 464.2409 8.04 649.5078 588.9885 647.8733 675.5100 702.4257 675.6342 8.04_469.2414m/z 469.2414 8.04 2310.6533 2404.2547 2305.1996 2455.9470 2523.9336 2484.2407 8.04_469.5761m/z 469.5761 8.04 988.9658 979.4725 942.1982 1086.3799 1128.1310 1006.9076 8.04_470.9123m/z 470.9123 8.04 640.3862 733.7448 767.4183 804.1197 695.7993 773.5941 8.04_471.2695m/z 471.2695 8.04 1236.4620 1296.4910 1286.1915 1371.4566 1343.6203 1434.5876 8.04_473.5963n 456.5930 8.04 8071.4668 8320.8087 7727.1968 8705.8053 8696.6902 8737.6798 8.04_476.8957m/z 476.8957 8.04 694.4773 590.4539 585.4351 681.8448 667.2670 732.9387 8.04_477.2257m/z 477.2257 8.04 419.0919 415.7000 383.9851 432.7345 446.9394 464.7444 8.04_477.5630m/z 477.5630 8.04 368.7308 321.5351 349.9815 435.5042 423.2343 367.3638 8.04_488.5784n 471.5751 8.04 358.7551 338.6963 288.0369 365.3859 375.2984 314.8923 8.04_528.2869m/z 528.2869 8.04 871.7238 832.4702 817.4559 986.9026 947.8220 932.2400 8.04_547.0257m/z 547.0257 8.04 3171.8658 3322.4688 3170.5750 3181.1825 3238.2760 3343.5688 8.04_547.2713m/z 547.2713 8.04 2577.3834 2658.9889 2623.9099 2674.6444 2655.2486 2693.6324 8.04_556.2676m/z 556.2676 8.04 621.3924 598.4870 591.9943 574.6124 495.2986 698.0354 8.04_556.5056m/z 556.5056 8.04 584.5863 502.6126 515.4547 594.3500 582.6196 508.6718 8.04_591.6210m/z 591.6210 8.04 701.6883 804.8484 544.5173 793.2914 639.0885 871.1477 8.04_591.9566m/z 591.9566 8.04 655.7754 695.8321 564.2112 778.1033 660.7467 871.8991 8.04_602.3402m/z 602.3402 8.04 916.9171 886.9259 972.7500 945.0658 1003.1562 969.7150 8.04_611.8565m/z 611.8565 8.04 5312.5829 5108.7226 4980.6357 5495.1850 5384.4055 5715.6348 8.04_612.3575m/z 612.3575 8.04 3126.1082 3177.3453 2905.9968 3298.1417 3298.6966 3507.6145 8.04_649.8439m/z 649.8439 8.04 175.4714 197.1981 242.7551 202.7229 201.4120 184.0269 8.04_682.8763n 683.8836 8.04 33571.6686 30851.4987 30503.9437 32965.1304 32829.5490 33009.6981 8.04_683.3778n 684.3850 8.04 21421.2434 20042.2184 19399.7144 21011.7721 21271.6834 21252.3855 8.04_693.8676n 694.8749 8.04 2700.9033 2831.5707 2645.3219 2912.9536 2964.0283 3039.3475 8.04_702.8591m/z 702.8591 8.04 574.5441 590.5857 691.0083 612.1765 654.9946 703.7262 8.04_728.6993m/z 728.6993 8.04 2350.7905 2237.6844 2320.8645 2322.3804 2378.5966 2520.1796 8.04_729.0257m/z 729.0257 8.04 2023.8493 1957.6891 1967.3208 1931.4391 1879.3155 2033.0149 8.04_729.3556m/z 729.3556 8.04 2158.7026 2255.3457 2320.1449 2349.7943 2221.3357 2537.1331 8.04_941.5336m/z 941.5336 8.04 757.4310 968.5315 818.9419 937.5630 872.4189 923.6567 8.05_375.1704m/z 375.1704 8.05 839.6005 841.3080 864.7382 855.7336 849.8775 879.1330 C20H20FNO4 Cyhalofop-butyl MEDIUM 8.05_443.6833n 444.7028 8.05 452.8602 473.2117 450.2802 463.0848 553.1330 574.6550 8.05_452.7005n 453.7078 8.05 3339.7459 3672.6128 3563.4985 3601.1289 3638.2595 3797.2229 8.05_453.2023n 454.2095 8.05 1366.2791 1488.5022 1404.9513 1454.4032 1400.3590 1483.6639 8.05_462.1310n 485.1675 8.05 1279.5099 1398.6300 1311.0573 1376.1786 1371.3702 1250.2652 8.05_464.6979m/z 464.6979 8.05 4905.8451 5169.3482 5276.9123 5272.8004 5074.8838 5248.7663 8.05_465.1988m/z 465.1988 8.05 2157.3518 2244.0702 2162.4446 2144.4705 2141.5763 2195.6284 8.05_471.6735n 472.6808 8.05 5580.8178 5886.9498 5941.0547 6012.6325 5902.8941 6196.8546 8.05_472.1753n 473.1826 8.05 2687.6405 2812.0217 2740.9655 2744.0664 2717.2899 2819.5158 8.05_480.6662m/z 480.6662 8.05 719.9421 772.4680 736.0473 655.0302 717.8018 703.5639 8.05_500.6697n 484.6645 8.05 1705.1879 1738.3814 1856.1280 1862.2337 1676.9628 1873.0484 8.05_503.6369m/z 503.6369 8.05 347.3335 396.4823 416.5486 370.4408 374.6503 437.0699 8.05_562.8020n 546.7794 8.05 3692.7021 3681.4823 3930.3699 3926.2155 3961.4377 4097.0647 8.05_572.2855m/z 572.2855 8.05 490.3989 473.0480 441.1736 432.2125 355.4830 274.2961 C32H37N5O5 Endomorphin-2 Endomorphin-2 HMDB05774 HIGH 8.05_744.2725m/z 744.2725 8.05 1149.8752 1130.1772 1275.5857 1327.0061 1230.4353 1308.3410 8.05_756.7359m/z 756.7359 8.05 1924.3903 1762.4678 1950.0938 1817.9660 1822.0805 1910.9767 8.05_849.4095m/z 849.4095 8.05 209.9050 262.5565 159.0946 147.9267 161.3905 203.7064 8.05_906.4077m/z 906.4077 8.05 7742.3922 7171.9442 7762.7038 7212.2660 7331.8998 7278.2884 8.06_508.3104m/z 508.3104 8.06 525.5245 476.7273 568.8615 556.3905 484.9445 558.0698 8.06_508.8123m/z 508.8123 8.06 301.9063 248.0530 224.4067 278.8803 298.6560 318.8436 8.06_537.0021n 538.0094 8.06 693.8904 746.4989 811.1282 817.4607 742.1503 803.7480 8.06_537.5089m/z 537.5089 8.06 893.5021 874.0437 938.2199 885.3228 974.3817 931.6448 8.06_537.7595m/z 537.7595 8.06 860.0752 815.3668 774.4974 811.1471 808.5794 892.2377 8.06_547.5126m/z 547.5126 8.06 1633.7386 1680.2240 1627.1641 1577.3305 1654.9299 1811.3755 8.06_554.4913m/z 554.4913 8.06 132.3405 104.3090 83.3015 144.1540 150.2648 166.6989 8.06_572.7756n 590.7974 8.06 1138.7491 1004.7387 1081.1894 1080.0521 1052.8571 1126.0507 8.06_590.2957m/z 590.2957 8.06 938.4909 869.0814 960.3792 964.0961 886.0491 962.4695 8.06_590.5475m/z 590.5475 8.06 820.3490 852.7144 886.0159 889.1279 795.2320 834.6324 8.06_596.2900m/z 596.2900 8.06 970.9202 875.8607 966.9425 957.3390 907.6269 939.0125 8.06_596.9597m/z 596.9597 8.06 398.0367 358.8063 332.1076 348.9404 414.6867 432.9358 8.06_638.0601m/z 638.0601 8.06 335.3467 168.2150 282.4474 197.8576 201.0779 304.1595 8.06_638.3764n 622.3220 8.06 946.3008 749.4416 777.3724 794.6956 828.7933 976.3924 8.06_675.3471m/z 675.3471 8.06 1114.1716 1134.5414 1076.5722 968.4314 1086.6279 1295.5132 8.06_708.3605m/z 708.3605 8.06 19188.6440 17673.0744 18974.4678 17942.3296 18041.4589 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32373.0876 32473.3822 33681.6551 33417.8280 33720.4665 36097.2112 8.07_531.7729m/z 531.7729 8.07 30290.8406 29418.7470 31052.9300 31248.5890 31653.4298 33252.1485 8.07_532.0232m/z 532.0232 8.07 20416.0077 19546.4842 20888.9128 20949.3613 21110.1209 22191.6887 8.07_539.2743m/z 539.2743 8.07 1443.1169 1357.0508 1385.6061 1465.3220 1568.4146 1579.0806 8.07_539.5870m/z 539.5870 8.07 643.5514 529.4410 617.7092 639.9306 593.8389 641.6883 8.07_539.9229m/z 539.9229 8.07 401.4728 206.1919 397.4891 342.6225 399.5234 418.4462 8.07_541.0084m/z 541.0084 8.07 3088.9570 2943.6360 3168.8157 3106.6963 3080.7354 3321.5862 8.07_541.2594m/z 541.2594 8.07 3082.4779 3062.0755 3256.1463 3171.9992 3296.7061 3346.3266 8.07_541.5100m/z 541.5100 8.07 2303.7333 2281.3392 2443.9407 2406.1546 2370.8601 2468.3288 8.07_541.7602m/z 541.7602 8.07 1598.5220 1429.1773 1599.3649 1518.8948 1665.4155 1716.6045 8.07_544.0230n 527.0197 8.07 4433.3658 3828.3731 4390.4192 4239.1987 4321.3796 4806.2702 8.07_544.2736n 527.2703 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785.4931 833.3901 8.07_638.0090n 656.0052 8.07 1803.0976 1568.7864 1665.0103 1585.2969 1717.0377 1939.0353 8.07_655.6713m/z 655.6713 8.07 1302.8043 1221.9678 1358.3657 1207.8286 1271.9744 1493.7972 8.07_690.7015n 708.6952 8.07 18548.5189 17042.6554 17956.2971 17178.4618 17358.3409 18122.1969 8.07_691.0358n 709.0288 8.07 11873.1680 11162.3371 11613.9235 11034.8575 11479.3972 11857.8105 8.07_702.3606m/z 702.3606 8.07 444.3938 494.3737 356.8906 410.7895 396.9131 427.3030 8.07_715.6863m/z 715.6863 8.07 1892.5845 1786.4058 1785.3561 1817.7875 1857.6655 1931.5442 8.07_716.0176m/z 716.0176 8.07 1699.0745 1578.7103 1487.5431 1468.0718 1656.3211 1792.4125 8.07_719.0322m/z 719.0322 8.07 163.9346 178.4175 178.8753 198.8856 157.5446 152.7273 8.07_721.0079m/z 721.0079 8.07 688.4099 664.5945 751.7344 736.4187 598.6560 669.0216 8.07_725.9989m/z 725.9989 8.07 392.4304 269.9774 465.7078 309.7987 360.0252 412.2147 8.08_425.4191m/z 425.4191 8.08 302.6675 322.4525 305.5837 304.1926 266.3023 320.0470 8.08_539.0245m/z 539.0245 8.08 685.9654 708.2283 735.3137 673.8695 640.9601 678.2569 8.08_539.7768m/z 539.7768 8.08 200.8799 208.2262 241.9997 177.8567 239.9251 163.5813 8.08_554.7418m/z 554.7418 8.08 79.5328 57.9648 143.0242 70.7649 94.3080 114.9008 8.08_567.7471n 568.7890 8.08 1061.4062 1037.5177 1041.8945 1014.0041 1095.1775 1087.8542 8.08_626.3273m/z 626.3273 8.08 563.9358 503.8874 498.1905 638.5964 478.5014 516.8518 8.08_690.7923m/z 690.7923 8.08 337.0737 278.9837 323.6735 284.2171 308.8614 322.2825 8.08_718.6968m/z 718.6968 8.08 331.5316 292.5020 371.3312 345.8489 414.6117 354.9549 8.08_754.3472m/z 754.3472 8.08 445.8675 417.0806 434.3257 415.3992 397.0907 386.7880 8.09_208.0977m/z 208.0977 8.09 129.3917 158.9735 147.9036 167.3838 159.5411 157.8886 8.09_552.2633m/z 552.2633 8.09 346.1139 347.6039 343.0681 299.9508 389.3528 506.0999 8.09_708.3049n 726.3494 8.09 1859.6136 1728.0343 1781.1812 1747.3338 1673.0158 1981.6118 8.09_754.0126m/z 754.0126 8.09 316.9702 232.4232 306.4151 162.0691 313.9586 251.9014 8.09_754.6778m/z 754.6778 8.09 195.1205 206.3885 227.7148 219.3660 267.0247 194.6626 8.10_409.1594m/z 409.1594 8.10 874.8160 940.0974 1086.4449 951.1532 945.4592 809.3996 8.10_521.7691m/z 521.7691 8.10 2697.7601 2600.3001 2626.6662 2639.6844 2790.1386 2762.1723 8.10_522.0200m/z 522.0200 8.10 2401.2643 2494.3266 2491.2965 2535.5600 2659.7381 2574.5760 8.10_522.2704m/z 522.2704 8.10 1545.2496 1496.3974 1484.2650 1465.0514 1737.7085 1537.9331 8.10_522.5210m/z 522.5210 8.10 661.6445 678.0984 677.9878 698.7627 758.4941 755.0700 8.10_531.2574m/z 531.2574 8.10 1310.8289 1419.1202 1206.0435 1169.2930 1337.3509 1340.7056 8.10_534.9974m/z 534.9974 8.10 189.4537 188.7273 156.2455 137.3482 210.1514 149.5886 8.10_535.2492m/z 535.2492 8.10 274.6093 279.9132 247.6006 328.9134 328.1399 276.0036 8.10_535.5002m/z 535.5002 8.10 154.9194 157.8651 165.2789 147.6421 172.5031 158.4025 8.10_628.6509m/z 628.6509 8.10 1062.3741 1039.1740 946.3461 1035.0484 1055.8019 1272.5346 8.10_629.3171m/z 629.3171 8.10 586.7656 541.7608 505.2259 525.7328 574.3872 684.9498 8.10_696.0254m/z 696.0254 8.10 7264.0272 7316.9856 7443.9415 7150.7671 7217.5801 7655.2282 8.10_702.6784m/z 702.6784 8.10 898.1840 863.4939 781.2375 730.5436 753.9011 869.9064 8.10_703.0179m/z 703.0179 8.10 446.1854 441.8319 462.1529 472.0236 478.8103 494.3280 8.10_703.3487m/z 703.3487 8.10 591.3015 504.6181 497.3229 538.3956 495.8218 549.4838 8.10_712.3617n 695.3584 8.10 16051.8599 16227.7158 16377.3074 16149.7880 15942.7879 17113.6684 8.10_712.6941n 695.6908 8.10 13187.0064 13185.1353 13230.4082 13130.7827 13186.3449 13892.4246 8.11_596.5634m/z 596.5634 8.11 1420.6135 1425.8265 1391.5221 1321.7789 1469.7845 1329.1521 8.11_597.0646m/z 597.0646 8.11 1105.9715 1261.0336 1201.5418 1270.9970 1222.3912 1256.5190 8.11_603.8188m/z 603.8188 8.11 346.6614 377.3859 398.0207 442.5207 378.6327 457.9011 8.11_604.0653m/z 604.0653 8.11 542.7151 555.2994 683.5100 665.8435 636.5452 687.5033 8.11_628.9851m/z 628.9851 8.11 1029.7210 895.2655 771.9917 786.6505 898.5025 1028.0125 8.11_736.6230m/z 736.6230 8.11 741.9614 475.6477 635.8232 655.3617 609.2762 525.8185 8.11_795.0808m/z 795.0808 8.11 1525.2917 1542.8278 1491.6667 1608.1291 1551.9108 1451.9728 8.11_795.4162m/z 795.4162 8.11 1631.5694 1620.2621 1578.0512 1552.3586 1605.7072 1653.1390 8.11_795.7498m/z 795.7498 8.11 1008.0689 924.9495 1020.1039 1042.4756 1090.4981 1082.5583 8.12_229.1412m/z 229.1412 8.12 1884.4789 1850.4929 2253.7109 1900.4704 2327.4081 2860.3035 8.12_273.1665m/z 273.1665 8.12 266.2368 244.6226 230.6797 217.4324 239.9219 227.8252 8.12_576.9045m/z 576.9045 8.12 4111.2791 4357.3656 4166.0623 4748.8322 4411.1117 4759.8681 8.12_577.1054m/z 577.1054 8.12 6050.5594 6453.1295 6080.8460 6699.5827 6660.6794 6850.3395 8.12_577.3048m/z 577.3048 8.12 5357.7173 5350.1864 5358.0097 5683.9536 5786.8187 5950.8464 8.12_577.5070m/z 577.5070 8.12 2767.9208 2976.2462 3119.3256 3407.6082 3227.7931 3459.0684 8.12_584.4943m/z 584.4943 8.12 410.2622 408.0997 382.1624 368.9707 356.5987 451.7667 8.12_584.6951m/z 584.6951 8.12 827.4295 1010.6246 691.4707 899.3766 1023.3396 987.4566 8.12_584.8954m/z 584.8954 8.12 742.2001 677.2310 708.9960 832.1458 623.5946 815.5497 8.12_585.0959m/z 585.0959 8.12 259.6569 389.7941 341.9139 443.5804 384.8441 348.5853 8.12_592.2885m/z 592.2885 8.12 418.1532 540.6275 355.7141 478.4435 501.3148 585.7911 8.12_596.8138m/z 596.8138 8.12 1543.3601 1781.3421 1656.1404 1662.2286 1649.9582 1822.6809 8.12_703.6003n 721.6341 8.12 6429.0285 6135.5924 6482.2418 6909.8597 6560.5622 6837.1466 8.12_720.8798m/z 720.8798 8.12 8550.7963 8678.2661 8543.1004 8683.7882 8283.7299 9022.1953 8.12_721.1303m/z 721.1303 8.12 10178.2222 10925.1414 10977.2357 11593.2385 11228.6164 11529.2409 8.12_721.3786m/z 721.3786 8.12 10599.6374 10271.3947 9959.6857 10297.4351 10196.2063 10864.1279 8.12_727.1232m/z 727.1232 8.12 380.0699 421.8021 391.8095 437.5728 451.6050 434.9123 8.12_730.6169m/z 730.6169 8.12 525.1625 426.6792 335.5284 414.6333 319.5730 420.4009 8.12_730.8666m/z 730.8666 8.12 687.3293 617.0142 720.8577 730.4019 650.4891 673.9541 8.12_732.3638m/z 732.3638 8.12 506.8221 558.8779 525.5558 609.6372 503.0993 554.0195 8.12_734.6094m/z 734.6094 8.12 206.9444 271.4891 253.5697 204.9966 247.4697 258.6140 8.12_736.8585m/z 736.8585 8.12 171.8426 59.9497 57.5819 236.5859 178.7233 185.2499 8.12_743.8786n 726.8753 8.12 776.0910 890.4783 787.6823 855.9812 815.5624 918.7288 8.12_748.1219n 732.1136 8.12 501.8897 532.8338 460.9265 458.7192 509.4007 547.4441 8.12_960.8352m/z 960.8352 8.12 143.8804 200.2035 169.5723 220.2231 96.8351 181.5800 8.12_961.1722m/z 961.1722 8.12 271.5497 299.7947 265.3497 351.4561 290.5590 325.3429 8.12_961.5064m/z 961.5064 8.12 189.9036 300.4052 226.7373 292.3085 204.6180 255.4203 8.13_577.7071m/z 577.7071 8.13 1167.8901 1273.7366 1239.0882 1319.8392 1340.8358 1355.7082 8.13_606.8045m/z 606.8045 8.13 184.6817 284.4485 151.0702 187.3541 207.0399 242.4640 8.13_732.6172m/z 732.6172 8.13 151.9570 134.8876 119.9281 194.8118 123.7122 195.1851 8.13_818.0707m/z 818.0707 8.13 289.7591 307.9884 310.6986 283.7531 257.2145 314.1502 8.13_818.4047m/z 818.4047 8.13 324.2792 331.4845 245.5936 260.5623 291.8300 331.8169 8.13_818.7373m/z 818.7373 8.13 201.3272 218.3201 171.8307 175.5642 161.2340 189.0327 8.13_919.4243m/z 919.4243 8.13 254.1047 262.6200 231.9961 243.2078 254.3315 241.7681 8.14_205.0831m/z 205.0831 8.14 388.1478 402.2747 371.4780 341.5755 350.7163 342.9306 C12H15NO3 Carbofuran 34611 MEDIUM 8.14_281.1697m/z 281.1697 8.14 325.5326 304.4877 332.0952 314.6198 304.1837 337.4151 8.14_734.3454m/z 734.3454 8.14 448.1610 447.2701 444.6892 574.6400 525.5811 574.1953 8.14_963.1470m/z 963.1470 8.14 315.5775 334.1629 319.0300 267.6562 306.1333 307.9636 8.14_963.4799m/z 963.4799 8.14 236.1151 262.2966 242.4733 215.6104 292.1148 309.6661 8.15_320.1096m/z 320.1096 8.15 196.1446 232.7445 172.1218 200.0738 221.8959 211.9672 8.15_601.2666m/z 601.2666 8.15 10482.3906 10414.6389 10632.3353 10813.7033 10287.0297 10687.6415 8.17_185.1154m/z 185.1154 8.17 11676.1434 10981.4883 12544.0316 11399.0937 11854.6320 11646.7027 C10H18O4 Sebacic acid Sebacic acid HMDB00792 MEDIUM 8.17_247.0860m/z 247.0860 8.17 2775.6651 2645.8841 2983.4833 2723.6092 2776.0895 2784.0425 8.18_603.6696m/z 603.6696 8.18 176.9155 145.7519 112.6855 169.2863 155.0486 131.5234 8.18_627.3161m/z 627.3161 8.18 492.7481 463.9044 398.4085 442.7110 392.7288 702.5836 8.21_326.1488m/z 326.1488 8.21 183.9401 177.6763 176.5336 174.0389 180.7965 257.4201 8.22_229.1412m/z 229.1412 8.22 2710.6910 2500.2493 2796.8605 2515.7477 2942.2912 3367.9042 8.22_315.1566m/z 315.1566 8.22 346.5071 307.8880 298.8151 307.8195 338.5221 421.2327 8.22_318.1183n 301.1150 8.22 875.8448 896.5855 906.1067 877.9698 853.5823 881.7998 8.22_318.1655m/z 318.1655 8.22 285.5504 289.6562 323.5913 277.0870 316.2424 513.7329 8.22_318.6677m/z 318.6677 8.22 64.5722 67.7042 53.3977 63.6506 80.7266 130.7971 8.22_498.7997m/z 498.7997 8.22 668.8420 716.4842 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8.43_736.0229m/z 736.0229 8.43 260.2694 244.2528 320.5531 270.3464 205.9483 301.2595 8.44_130.0654m/z 130.0654 8.44 1368.5304 1444.2015 1530.0008 1430.1347 1457.3491 1478.3850 C9H9NO Indole-3-carbinol Indole-3-carbinol HMDB05785 MEDIUM 8.44_189.0791n 190.0863 8.44 1149.0821 1171.8411 1188.9028 1108.7657 1074.5471 1148.8797 8.44_228.0346m/z 228.0346 8.44 2010.6355 2001.6180 2109.9236 1940.2463 1973.1937 2063.5606 8.44_449.7596m/z 449.7596 8.44 912.9446 946.0918 914.4148 935.8858 897.3710 888.0661 8.44_450.2624m/z 450.2624 8.44 345.3031 353.7072 361.6056 319.3015 344.3013 324.1973 8.44_560.0004m/z 560.0004 8.44 91.4391 114.3357 103.7373 101.9902 135.8811 68.8087 8.44_632.9294m/z 632.9294 8.44 448.7771 617.5306 220.7238 587.2127 412.8509 769.8052 8.44_736.3524m/z 736.3524 8.44 247.1347 271.3465 278.6543 244.0842 224.9839 241.6548 8.45_253.0755m/z 253.0755 8.45 551.8901 584.1227 595.7715 537.4405 539.3533 531.5824 8.45_578.0371m/z 578.0371 8.45 100.7161 180.1694 182.4696 185.8946 150.5358 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416.8732 9.01 1378.6385 1430.3194 1544.1854 1456.6453 1512.2599 1477.1622 9.01_417.5418m/z 417.5418 9.01 280.5206 331.7911 354.8518 332.7988 316.4975 331.6013 9.01_424.8595m/z 424.8595 9.01 273.9438 253.2819 266.2730 254.6862 311.7691 303.1518 9.01_425.5282m/z 425.5282 9.01 84.0110 76.0594 101.7773 92.8652 109.9818 77.9423 9.01_534.3011m/z 534.3011 9.01 545.9171 441.2318 478.8257 504.9225 395.6216 368.7775 9.01_604.8261n 605.8334 9.01 14903.3405 14727.9441 14885.3359 15438.8439 14034.9768 14238.4077 9.01_606.3347m/z 606.3347 9.01 7408.1957 7410.6548 7506.0282 7814.9950 7201.8848 7223.4708 9.01_613.8280n 636.7899 9.01 1603.6309 1349.0636 1402.8423 1535.3945 1172.6129 1368.3923 9.01_614.2571n 632.2910 9.01 2243.8734 2194.1832 2191.6318 2322.1692 2261.0382 2322.2754 9.01_616.8234m/z 616.8234 9.01 2506.8852 2256.0531 2335.9050 2363.0081 2135.0508 2181.2151 9.01_617.3231m/z 617.3231 9.01 1477.3360 1470.0934 1433.1048 1496.2178 1348.0349 1332.9734 9.01_632.7900m/z 632.7900 9.01 591.8382 577.4981 564.8606 565.9346 541.6764 650.6415 9.02_523.3097m/z 523.3097 9.02 438.7527 382.6354 389.4707 393.4400 349.0235 369.1505 9.02_523.8139m/z 523.8139 9.02 307.7046 328.4693 333.9796 307.8098 265.6948 281.0782 9.02_624.8075m/z 624.8075 9.02 2300.8426 2148.3240 2171.1502 2332.0542 2102.5474 2083.5536 9.02_625.3085m/z 625.3085 9.02 1465.1271 1415.2453 1403.5711 1545.0665 1417.2783 1414.9625 9.02_628.3115m/z 628.3115 9.02 749.5111 689.5492 694.6344 701.8825 731.4667 774.3147 9.02_722.0923m/z 722.0923 9.02 90.6144 70.5313 131.5709 168.0772 77.9922 113.0949 9.02_723.6180m/z 723.6180 9.02 1859.9349 1774.5632 1767.5058 1787.3627 1710.3993 1700.5202 9.02_723.8680m/z 723.8680 9.02 1196.6316 1300.1073 1327.3046 1386.9964 1252.8979 1330.6056 9.02_733.1042m/z 733.1042 9.02 234.1496 175.1591 211.5546 261.8893 159.3993 192.0150 9.02_874.1001m/z 874.1001 9.02 147.2640 79.7290 185.2555 174.0414 114.1156 151.6742 9.02_964.1533m/z 964.1533 9.02 634.3369 653.9295 650.0187 609.9469 584.1007 591.8967 9.02_964.4884m/z 964.4884 9.02 721.5923 702.4300 703.0457 798.4403 610.3019 757.2220 9.02_964.8231m/z 964.8231 9.02 451.7512 444.8875 477.8302 483.9203 429.3156 431.2403 9.04_605.0272n 623.0610 9.04 403.7127 383.2235 370.4291 471.6856 481.7764 455.8548 9.04_609.0809m/z 609.0809 9.04 8261.6034 8556.1146 9031.5495 9184.5787 9867.5620 9580.2362 9.04_609.3313m/z 609.3313 9.04 9642.0522 10096.4387 10621.5830 10866.7096 11382.7474 11081.9031 9.04_609.5825m/z 609.5825 9.04 5765.0398 6285.0386 6859.8620 6639.2799 7338.8903 6812.9658 9.04_609.8333m/z 609.8333 9.04 3063.0871 2998.5151 3273.0807 3415.8086 3615.4126 3511.3001 9.04_615.0719m/z 615.0719 9.04 661.8923 713.9868 706.0454 808.1496 773.3100 873.0013 9.04_615.3220m/z 615.3220 9.04 735.2296 732.9278 780.1568 840.8425 904.9757 821.9929 C23H46N6O13 Neomycin 7507 HIGH 9.04_618.5679m/z 618.5679 9.04 1926.3673 2029.6299 2085.4710 2225.5480 2247.8444 2187.7260 9.04_618.8184m/z 618.8184 9.04 2594.7503 2560.3284 2540.7219 2927.3759 2681.2983 2865.3767 9.04_619.0690m/z 619.0690 9.04 1650.8374 1581.7304 1719.4460 1692.7872 1805.2737 1756.3842 9.04_619.3189m/z 619.3189 9.04 1206.2396 1151.4904 1365.6098 1199.6354 1268.0703 1277.8348 9.04_621.8312n 622.8109 9.04 649.1955 540.9869 627.3978 788.7193 703.8284 627.0589 9.04_622.3085m/z 622.3085 9.04 619.9501 624.5999 628.6724 629.3897 640.0245 653.8446 9.04_622.5602m/z 622.5602 9.04 554.4522 592.4582 676.2642 735.7300 745.9523 691.2965 9.04_625.0591m/z 625.0591 9.04 608.2778 563.9553 624.9749 689.9289 666.6863 533.6383 9.04_628.5541m/z 628.5541 9.04 153.0313 142.3362 177.4097 138.5134 155.6390 95.2179 9.04_630.8485n 614.8259 9.04 694.1165 599.8961 749.6241 819.6990 746.8600 796.8284 9.04_631.5777n 615.5725 9.04 755.8287 641.9974 712.2700 748.8013 761.2289 778.6775 9.04_635.7936m/z 635.7936 9.04 222.1038 208.6136 224.6369 213.8358 148.5042 263.3953 9.04_641.5628n 624.5596 9.04 519.6611 619.8606 609.5836 668.0959 723.9556 679.0652 9.04_712.0545m/z 712.0545 9.04 571.2348 468.4668 437.5317 492.0007 549.6864 563.6624 9.04_712.3893m/z 712.3893 9.04 506.9953 456.2164 481.8111 565.6151 509.7866 601.0974 9.04_712.7248m/z 712.7248 9.04 350.3411 261.3925 300.7912 374.7053 355.0375 330.1709 9.04_749.0666m/z 749.0666 9.04 140.5333 52.8319 214.5876 202.3412 177.3799 238.5311 9.04_749.3750m/z 749.3750 9.04 544.6616 431.0895 442.6457 534.1363 497.9835 549.3806 9.04_755.0705m/z 755.0705 9.04 1301.3205 1107.9799 1259.9346 1357.1866 1326.6959 1467.3622 9.04_755.4048m/z 755.4048 9.04 1175.2105 1083.8728 1268.3681 1328.9270 1211.0852 1402.3187 9.04_755.7379m/z 755.7379 9.04 802.0888 730.0935 833.7577 883.4816 800.4443 950.7142 9.04_801.3984n 819.4322 9.04 2287.8046 2232.6856 2031.8614 2201.3961 2225.6282 2221.1180 9.04_801.7315n 819.7653 9.04 1370.0869 1382.0799 1600.4472 1517.3580 1534.5535 1465.2334 9.04_812.4413m/z 812.4413 9.04 6194.7140 6425.3082 6577.5537 6956.4409 6940.5786 6983.8982 9.04_825.0904m/z 825.0904 9.04 396.2465 412.1746 437.8863 430.1593 402.3651 430.3272 9.04_826.7607m/z 826.7607 9.04 301.5284 268.8632 246.1739 323.2930 361.0640 342.8616 9.04_827.0929m/z 827.0929 9.04 170.8446 157.4122 196.3791 201.7507 192.1482 209.6394 9.04_828.7760n 811.7728 9.04 10703.7390 10765.6656 11020.4160 11628.2461 11803.6641 11798.5095 9.04_829.1101n 812.1068 9.04 10816.9401 11075.7843 11382.1565 11918.4604 11564.8692 11736.8824 9.04_832.4126m/z 832.4126 9.04 386.8033 394.5440 275.9397 356.4387 399.6335 344.5668 9.04_832.7426m/z 832.7426 9.04 434.1624 384.4842 420.3820 409.7866 401.0510 395.3536 9.04_833.0799m/z 833.0799 9.04 332.6527 250.5613 298.5891 389.5429 249.0593 300.5095 9.04_836.1033n 819.1000 9.04 986.6898 963.8986 995.3572 1043.2525 1033.8363 1022.5177 9.06_300.1110n 301.1184 9.06 4700.1775 4781.1163 4747.1994 4861.4573 4679.3531 4965.1836 9.06_354.1196n 355.1268 9.06 4411.4651 4395.9240 4489.0936 4611.3409 4673.4188 4747.1341 9.06_388.0954n 371.0921 9.06 1932.6303 1916.0610 1970.3115 2064.4107 1987.1104 2238.6037 9.06_492.8987m/z 492.8987 9.06 2833.5343 3055.3026 3146.2587 3126.4995 3121.5414 3175.1761 9.06_496.5852n 497.5540 9.06 1698.5575 1757.2859 1858.0405 1774.5038 1848.4153 1829.7517 9.06_496.9191n 497.8883 9.06 1119.4703 1202.6492 989.6628 1082.5975 1174.7678 1240.8801 9.06_497.2188m/z 497.2188 9.06 1533.6172 1646.0895 1648.0763 1636.8469 1635.8937 1694.9557 9.06_499.8782n 500.8854 9.06 1491.1212 1615.0249 1571.0778 1560.5679 1539.2379 1711.5489 9.06_500.2187m/z 500.2187 9.06 1858.7027 2031.4755 1872.9670 1921.6629 1976.7899 2064.6179 9.06_503.9112n 486.9079 9.06 5331.2370 5495.1390 5438.5368 5290.8711 5492.7107 5771.4968 9.06_504.2433n 487.2400 9.06 4270.3506 4404.6294 4527.2805 4390.4325 4608.6250 4552.7575 9.06_504.5737n 487.5705 9.06 3036.1977 3241.2815 3078.5983 3146.2670 3099.0524 3312.0673 9.06_509.2338n 492.2305 9.06 10487.8644 10921.0887 10930.0159 10991.6049 11039.8342 11445.3582 9.06_509.5680n 492.5647 9.06 6387.6187 6825.3437 6735.7370 6871.9210 6754.0911 6859.5060 9.06_512.8680m/z 512.8680 9.06 802.4785 725.0957 762.5271 786.9783 804.9691 831.2741 9.06_513.2021m/z 513.2021 9.06 1559.1227 1561.1008 1586.1744 1562.4632 1690.6800 1619.1130 9.06_513.5348m/z 513.5348 9.06 460.9514 500.5047 444.0631 483.0540 477.9050 520.8548 9.06_517.5564n 500.5531 9.06 1688.1581 1652.5870 1631.9544 1650.7479 1678.7983 1748.0599 9.06_525.2119n 508.2086 9.06 256.2278 323.2697 276.6523 274.8383 351.7838 321.9132 9.06_525.5427n 508.5394 9.06 168.8171 191.7987 214.5509 191.1242 172.4650 166.4617 9.06_525.8741n 509.8677 9.06 621.5014 678.6247 645.6495 739.9090 750.1018 709.6660 9.06_644.8042m/z 644.8042 9.06 1066.0501 967.2282 1018.8052 1022.2702 1095.7069 1036.3890 9.06_645.3216m/z 645.3216 9.06 775.7003 775.0702 751.0421 779.8678 751.9391 834.2140 9.06_646.3220m/z 646.3220 9.06 1226.0460 1304.4944 1348.5464 1269.0086 1341.9715 1330.8886 9.06_646.5749m/z 646.5749 9.06 1127.1679 1211.8457 1206.4692 1179.3094 1267.2649 1197.7490 9.06_646.8236m/z 646.8236 9.06 751.2579 876.8313 896.7120 1025.6997 971.3410 1053.4618 9.06_647.0773m/z 647.0773 9.06 391.2560 436.7041 364.2385 385.9470 365.6115 472.9281 9.06_652.7875m/z 652.7875 9.06 280.6111 299.1251 234.8915 291.7243 271.2097 220.3660 9.06_653.2899m/z 653.2899 9.06 135.2552 116.6762 129.6381 144.2086 111.0453 124.5298 9.06_709.8592m/z 709.8592 9.06 442.6988 490.5478 432.3482 458.3423 471.0817 448.9897 9.06_710.3592m/z 710.3592 9.06 292.6343 299.5673 335.1623 308.8378 348.9117 363.2832 9.06_717.8609n 718.8682 9.06 41597.4633 42331.9685 43115.0849 41716.5808 42458.9483 41995.8285 9.06_718.3625n 719.3698 9.06 26341.3090 26557.5829 27232.6658 26399.8361 27178.8872 26644.9830 9.06_727.2939n 745.3277 9.06 2709.1123 2633.2254 2630.8855 2704.6358 2808.5594 2854.4251 9.06_730.3602m/z 730.3602 9.06 4157.3162 4017.9683 3941.3062 3992.8626 3944.1998 3958.4768 9.06_736.8347n 737.8420 9.06 4503.3577 4455.7558 4397.4391 4456.3682 4253.1712 4402.6515 9.06_737.3363n 738.3436 9.06 2829.5354 2642.0978 2681.9930 2665.1990 2560.4603 2559.3229 9.06_745.8261m/z 745.8261 9.06 916.6881 964.9352 994.6032 889.1943 948.6101 1071.2256 9.06_745.8814n 729.8588 9.06 6749.4575 6746.0790 6404.3534 6565.7333 6409.6477 6593.4051 9.06_757.3167m/z 757.3167 9.06 172.0065 149.5829 213.2546 186.7559 176.3381 136.6995 9.06_765.8357n 749.8213 9.06 2351.9839 2206.3365 2215.7262 2162.2337 2159.6203 2137.7601 9.06_861.4314m/z 861.4314 9.06 1863.2667 1897.4010 1925.5707 2020.5476 1907.0938 2003.5967 9.06_861.7658m/z 861.7658 9.06 1725.7683 1975.4660 1995.0149 1907.8319 2006.2172 2119.9288 9.06_862.0992m/z 862.0992 9.06 1461.9239 1427.8035 1459.1563 1234.7017 1385.9168 1426.1257 9.08_155.0355m/z 155.0355 9.08 492.4551 489.2124 511.4247 450.3945 483.7156 458.3465 9.08_219.0271m/z 219.0271 9.08 595.4320 569.4446 568.6733 570.5589 666.2493 681.1942 9.08_312.2178m/z 312.2178 9.08 360.3752 432.0078 386.6893 367.5218 348.2781 398.7286 C14H30O4S Sodium Tetradecyl Sulfate 782257 MEDIUM 9.08_451.5529m/z 451.5529 9.08 416.5314 428.1613 402.0822 431.4923 381.4723 367.0049 9.08_657.3503m/z 657.3503 9.08 4563.3678 4534.8323 4427.8952 4343.5223 4541.5189 4679.8844 9.08_657.8520m/z 657.8520 9.08 2955.6772 2894.7520 2921.6788 2857.2326 3029.0988 2882.4220 9.08_668.3377m/z 668.3377 9.08 588.7357 629.4743 515.9973 590.1740 591.9444 628.8517 9.08_668.8383m/z 668.8383 9.08 180.8686 150.0710 150.7106 186.8709 184.0779 150.4683 9.08_688.3222m/z 688.3222 9.08 325.8667 329.5021 412.5812 354.7423 335.5644 351.5980 9.09_255.2105m/z 255.2105 9.09 1644.8967 1892.0799 1977.5127 2006.2409 1996.7762 1907.4457 9.09_280.1309m/z 280.1309 9.09 407.6230 435.7531 449.6753 381.6175 415.3655 464.8081 9.09_821.9025m/z 821.9025 9.09 366.2143 373.4193 289.8315 389.5081 293.2043 322.5813 9.09_822.3984m/z 822.3984 9.09 369.4128 374.2854 382.9035 308.5991 353.5129 354.2747 9.10_190.0863m/z 190.0863 9.10 72.0490 52.9630 73.5309 51.8472 73.8852 99.9351 C11H8O2 Menadione Menadione 28869 HIGH 9.10_848.9204m/z 848.9204 9.10 227.1562 351.9431 301.4391 200.5459 234.8108 272.0502 9.11_215.1179m/z 215.1179 9.11 355.6360 304.5072 280.4883 336.6704 288.8041 335.5092 9.11_231.0935m/z 231.0935 9.11 486.2674 505.0626 451.2710 599.3944 515.3949 680.5910 9.11_332.1373n 333.1451 9.11 8319.8986 8452.0990 8434.0105 8561.7165 8105.0094 8526.3257 9.11_495.2277m/z 495.2277 9.11 1171.1691 1072.4171 1200.9839 1142.3753 1274.3625 1192.6434 9.11_520.6828m/z 520.6828 9.11 197.6694 289.5802 252.9711 251.5619 257.7323 301.5526 9.11_848.1695m/z 848.1695 9.11 64.2077 150.0960 245.0171 170.3549 354.0391 237.2532 9.11_848.4191m/z 848.4191 9.11 525.6074 768.5150 808.1076 732.7128 725.8450 876.7867 9.12_279.6603m/z 279.6603 9.12 120.7367 84.2137 109.3334 113.5838 101.0960 113.0283 9.12_481.7284n 482.7356 9.12 2719.8743 2771.7623 2747.2245 2641.2929 2626.6598 2697.2302 9.12_483.2370m/z 483.2370 9.12 1039.5318 1144.2079 1117.5260 1106.1278 1043.4355 1150.5499 9.12_493.7262m/z 493.7262 9.12 3327.6468 3604.5250 3534.7788 3429.9242 3573.1451 3461.4223 9.12_501.7088m/z 501.7088 9.12 3807.0868 3984.2802 3848.8761 3841.0392 4170.3932 4120.8738 9.12_502.2116m/z 502.2116 9.12 1912.6163 2076.5709 1892.6375 1908.3844 2079.7188 2093.0511 9.12_509.1968m/z 509.1968 9.12 441.0129 446.7083 476.4236 458.9249 442.3098 504.1374 9.12_509.6956m/z 509.6956 9.12 555.4953 500.8294 542.6528 489.5022 511.5540 580.1553 9.12_528.1677m/z 528.1677 9.12 171.3458 255.6876 151.8615 184.2730 184.6200 168.9806 9.12_529.7030n 513.6916 9.12 1274.6722 1409.8437 1259.8932 1313.4993 1392.4272 1431.2999 9.12_798.3747n 799.3819 9.12 946.6225 952.4504 852.7090 909.5406 778.1954 873.6087 9.12_848.6707m/z 848.6707 9.12 539.7634 697.6392 868.3021 651.9841 756.0737 732.4461 9.12_964.4643m/z 964.4643 9.12 3898.9263 4120.1075 3960.7221 3900.1167 4071.5655 3933.4357 9.13_151.0755m/z 151.0755 9.13 836.9908 842.1019 882.8473 895.1370 791.8069 841.6035 C9H10O2 3-Methylphenylacetic acid HMDB02222 HIGH 9.13_165.0907m/z 165.0907 9.13 1248.2319 1332.5623 1377.3094 1309.1618 1223.0618 1286.7003 C10H12O2 3-Phenylbutyric acid 3-Phenylbutyric acid HMDB01955 HIGH 9.13_210.0901n 193.0868 9.13 6757.4641 6597.1552 6861.5657 6572.0793 6460.2485 6705.0491 C14H12O4 "3-(2,5-Dimethoxyphenyl)propionic acid" "3-(2,5-dimethoxyphenyl)propanoicacid" HIGH 9.13_266.0458n 249.0425 9.13 1527.8205 1517.4363 1474.9881 1400.3141 1472.7020 1501.0901 9.13_295.0506m/z 295.0506 9.13 515.2630 571.9320 490.1835 499.9632 518.6502 584.3557 9.13_589.3021m/z 589.3021 9.13 498.4640 570.5616 625.5797 661.6641 564.7013 562.6866 9.14_435.8883m/z 435.8883 9.14 665.7789 704.4180 694.0054 648.9179 618.6705 805.0444 9.14_436.2232m/z 436.2232 9.14 409.1515 441.7018 432.9933 402.5867 398.6609 440.1953 9.14_436.5581m/z 436.5581 9.14 143.5489 137.6146 137.4313 151.0843 135.2362 156.9637 9.14_633.8505n 634.8577 9.14 1388.8129 1392.1713 1466.2372 1438.6408 1422.0845 1505.8029 9.14_634.3554m/z 634.3554 9.14 2275.2426 2315.0587 2159.7459 2325.7180 2316.2464 2284.2815 9.14_645.8434m/z 645.8434 9.14 738.2794 716.0056 571.2908 544.6008 587.4314 593.4158 9.14_669.0271m/z 669.0271 9.14 276.8826 338.7915 281.4345 282.8442 265.0669 292.5119 9.14_695.6776m/z 695.6776 9.14 587.4378 703.6110 688.4494 630.1858 607.7566 635.7432 9.14_696.0104m/z 696.0104 9.14 350.1974 388.7384 382.9792 375.7451 359.3188 421.6462 9.15_245.0721m/z 245.0721 9.15 739.9291 776.3847 753.4217 719.1849 685.9562 756.7931 9.15_354.1276m/z 354.1276 9.15 2433.7147 2543.3991 2259.9005 2293.2608 2272.0974 2346.3553 9.15_668.6932m/z 668.6932 9.15 342.9247 392.0903 381.9410 342.0745 354.6871 446.1269 9.15_695.3404m/z 695.3404 9.15 929.0541 835.7667 892.8674 828.5196 779.1523 904.9647 9.17_275.1226m/z 275.1226 9.17 392.6776 441.6962 384.5809 424.0649 366.0333 428.0412 9.18_251.1556m/z 251.1556 9.18 419.1487 405.0531 376.5083 368.4145 418.5719 396.9864 9.19_629.3671m/z 629.3671 9.19 250.5131 273.7390 217.7318 257.4250 283.3230 251.2498 9.19_629.8685m/z 629.8685 9.19 161.5429 187.7188 140.1364 164.6297 142.3696 134.9411 9.20_265.1062m/z 265.1062 9.20 1008.2627 993.6514 1019.7415 1004.6689 1052.9515 1118.2678 9.20_835.0884m/z 835.0884 9.20 886.6138 881.9056 918.8115 907.4263 968.2350 863.7747 9.20_835.4224m/z 835.4224 9.20 831.4778 898.4644 893.8712 826.3857 870.3410 792.2738 9.20_835.7566m/z 835.7566 9.20 579.4556 621.2112 598.0585 550.6235 587.4895 535.2024 9.22_591.3172m/z 591.3172 9.22 7033.5771 7088.6661 8358.3719 8664.0310 7621.5375 9654.9284 9.23_164.0424m/z 164.0424 9.23 1378.2125 1432.7809 1394.8078 1438.3548 1307.9263 1389.9097 9.23_178.9967m/z 178.9967 9.23 290.9974 310.7969 329.7896 293.9931 309.3440 295.9213 9.23_246.0115n 247.0277 9.23 3399.7035 3488.2218 3518.9075 3604.2767 3545.0873 3647.6743 9.23_361.1101n 362.1174 9.23 3063.0103 3281.3651 3218.3641 3318.2016 3206.5004 3281.2138 9.23_455.1022m/z 455.1022 9.23 604.5708 686.5286 655.3639 689.2293 654.5139 655.6599 9.23_641.3280m/z 641.3280 9.23 462.6813 385.9318 512.7585 424.6054 402.6222 435.2872 9.23_656.1772m/z 656.1772 9.23 529.9338 717.4875 537.8720 645.9866 632.6884 645.9363 9.23_656.5116m/z 656.5116 9.23 98.7412 264.7165 244.2762 287.4645 202.6487 230.1956 9.23_747.1719m/z 747.1719 9.23 888.7786 886.4947 846.4286 992.6516 830.3610 1061.1255 9.23_747.3682m/z 747.3682 9.23 479.5986 565.7706 453.3557 332.4632 371.7163 475.5539 9.24_133.0289m/z 133.0289 9.24 291.7708 252.6263 245.4904 250.8830 247.5995 313.5605 C5H11NO2S L-Methionine Methionine 16643 MEDIUM 9.24_138.0308n 160.9790 9.24 1055.2026 990.1625 997.6529 957.3648 929.0902 974.6926 C7H6O3 4-Hydroxybenzoic acid 4-Hydroxybenzoic acid HMDB00500 99-96-7 HIGH 9.24_149.0232m/z 149.0232 9.24 2808.1422 2818.0957 2747.3591 2752.5113 2771.4526 2761.3637 9.24_188.0085n 171.0052 9.24 2229.7544 2402.4460 2376.3518 2301.2991 2279.5390 2391.8272 9.24_204.9921m/z 204.9921 9.24 1079.4057 1077.2562 1099.6342 1031.3037 1051.3718 1055.2205 9.24_207.9794m/z 207.9794 9.24 479.7250 463.1288 553.0718 501.1618 442.2285 481.6720 9.24_218.9894m/z 218.9894 9.24 875.2948 881.4228 891.6925 882.9990 829.2451 892.7659 9.24_230.0556n 231.0629 9.24 17050.5037 17905.1990 17942.1578 18130.6272 17482.1946 18136.2687 9.24_242.0175n 265.0395 9.24 2298.7437 2382.7459 2275.8576 2158.4079 2165.9397 2160.5572 9.24_293.0343m/z 293.0343 9.24 781.2475 821.4454 829.6227 851.4610 733.3222 734.5390 9.24_467.0959m/z 467.0959 9.24 993.0239 867.0286 1039.6896 913.1648 884.0395 977.7350 9.24_751.8392m/z 751.8392 9.24 107.3348 156.6831 226.2787 270.0518 232.2064 197.2873 9.24_786.8109m/z 786.8109 9.24 530.2952 869.6617 727.6246 918.7300 908.8240 1050.7951 9.24_787.0113m/z 787.0113 9.24 1130.7507 1542.3585 1518.4043 1693.1406 1570.7691 1516.3918 9.24_787.2115m/z 787.2115 9.24 1403.9019 1585.8334 1207.2640 1495.6734 1399.3446 1574.9518 9.24_897.6141m/z 897.6141 9.24 1162.3284 1523.6322 1715.4470 1758.2586 1761.3842 1711.7532 9.25_656.0084m/z 656.0084 9.25 672.6745 786.5927 760.8914 1031.3101 844.4082 878.9302 9.25_741.1855m/z 741.1855 9.25 2188.5886 2563.8998 2569.7232 2855.3851 2558.5084 2661.6262 9.25_741.3535m/z 741.3535 9.25 5410.0349 5687.1719 6612.4653 6530.4435 6354.9566 6498.4947 9.25_741.5213m/z 741.5213 9.25 6251.5331 6666.6803 7250.9681 7239.5417 6721.7592 7728.5556 9.25_741.6875m/z 741.6875 9.25 4806.6305 4666.5481 5184.5986 5127.2503 5334.4364 5063.4921 9.25_745.3490m/z 745.3490 9.25 220.0484 152.5824 375.2141 305.6264 260.8273 306.0877 9.25_747.6773m/z 747.6773 9.25 414.9206 366.0772 682.4925 933.6830 606.8427 811.5107 9.25_747.8434m/z 747.8434 9.25 627.1350 851.6031 1142.2536 1013.2970 978.6428 1000.4256 9.25_748.0102m/z 748.0102 9.25 494.3661 677.8568 784.8156 785.1988 731.9730 779.0881 9.25_750.1702m/z 750.1702 9.25 97.0445 156.4449 100.6874 183.8813 149.6560 134.3882 9.25_752.0051m/z 752.0051 9.25 149.4330 171.3301 193.1829 151.6086 136.0743 238.9226 9.25_752.3392m/z 752.3392 9.25 97.7747 108.3921 134.3415 248.5963 230.5324 148.4168 9.25_787.6124m/z 787.6124 9.25 558.4127 606.3647 496.9542 739.7703 657.0833 746.4463 9.25_871.3889n 889.4227 9.25 24605.3142 25734.0333 28334.0803 28303.3330 27683.5155 29058.2004 9.25_871.5895n 889.6233 9.25 26468.8986 29090.3717 32114.7934 30497.4091 30489.4870 30928.6546 9.25_878.9778n 897.0116 9.25 3141.1551 3717.1241 4492.5142 4054.5356 4208.7374 4099.2358 9.25_879.1788n 897.2126 9.25 3023.2934 3630.0196 4236.6220 4366.1372 3901.6349 4216.1225 9.25_879.3788n 897.4127 9.25 2800.9650 2994.6208 3614.8591 3545.6161 3600.8237 3977.3524 9.25_881.9706n 900.0045 9.25 984.7455 990.1579 1302.6914 1455.4578 1259.4503 1224.7502 9.25_889.8239m/z 889.8239 9.25 19919.9768 21118.8201 24327.1819 23826.6715 23281.7645 23908.0867 9.25_890.0244m/z 890.0244 9.25 12415.3986 13069.8268 14288.6777 14303.0776 14032.6468 14471.3045 9.25_894.0163m/z 894.0163 9.25 993.2752 1194.8015 1296.9301 1280.1921 1371.8129 1324.5848 9.25_894.2160m/z 894.2160 9.25 1259.8614 1278.4467 1536.0148 1444.6932 1271.0110 1478.0516 9.25_896.8101m/z 896.8101 9.25 1689.8906 1932.9963 2052.6117 1958.9305 1966.9381 1949.6644 9.25_900.2061m/z 900.2061 9.25 945.2481 1008.2641 1109.7474 1159.3507 1379.0477 1339.8178 9.25_900.4065m/z 900.4065 9.25 717.5445 846.0309 1139.8283 1018.2187 935.2206 1016.4196 9.25_900.6073m/z 900.6073 9.25 758.3666 993.1688 1076.3773 1087.6660 1084.2172 1052.7896 9.25_902.6061m/z 902.6061 9.25 545.1915 636.5051 788.4571 754.0132 782.3001 861.2796 9.25_906.2254n 889.2221 9.25 14038.1640 15153.1094 16289.5481 15899.6995 15459.1992 16519.4486 9.25_909.5978m/z 909.5978 9.25 158.1966 171.8705 382.0413 290.4351 294.7488 466.9897 9.25_909.7944m/z 909.7944 9.25 306.0357 366.4793 284.5763 398.3458 383.9147 211.9086 9.25_910.8208n 894.8143 9.25 644.4263 879.5018 931.2446 972.4644 1038.9960 1032.8513 9.25_918.8086n 901.8054 9.25 826.7174 1246.1573 1354.5880 1314.1996 1434.1532 1424.3195 9.26_371.6766m/z 371.6766 9.26 347.6972 396.4524 336.4737 346.4957 343.3995 372.2924 9.26_372.1777m/z 372.1777 9.26 165.0033 178.3995 180.7207 179.7411 138.3522 158.8873 9.26_685.0250m/z 685.0250 9.26 688.9026 545.6141 806.5102 527.0910 416.6062 159.0391 9.26_685.3587m/z 685.3587 9.26 809.8247 626.0899 793.3931 666.3915 536.6260 386.6273 9.26_689.2938m/z 689.2938 9.26 374.9264 361.7011 365.5697 356.2442 345.9115 352.9929 9.26_704.3958m/z 704.3958 9.26 1662.2498 1645.9340 1735.4701 1697.4783 1724.5953 1703.0902 9.26_745.5136m/z 745.5136 9.26 248.8404 410.6079 317.4499 315.3579 402.9067 359.2120 9.26_909.3981m/z 909.3981 9.26 234.5653 204.0400 410.6297 346.2450 313.4232 400.4891 9.27_273.1644m/z 273.1644 9.27 282.1892 248.9448 243.0964 223.9340 239.6447 298.3450 9.27_595.3290m/z 595.3290 9.27 182.4384 176.1225 189.6512 200.2793 180.6397 231.5816 9.27_601.9633m/z 601.9633 9.27 960.3916 1048.4531 618.0916 1367.8361 933.1651 1170.3106 9.27_683.6438m/z 683.6438 9.27 335.2419 427.7972 338.2949 412.5036 485.0255 470.4873 9.27_688.9623m/z 688.9623 9.27 142.9763 133.1655 145.7784 112.6236 127.1771 167.8652 9.28_386.7056m/z 386.7056 9.28 175.9455 261.0523 230.3172 250.4853 196.3594 227.4780 9.28_602.3024m/z 602.3024 9.28 1239.3208 1322.0479 1036.2550 1703.0727 1259.0738 1424.2122 9.28_602.6320m/z 602.6320 9.28 443.0418 459.7185 266.0233 590.7576 405.5198 600.1348 9.29_387.2037m/z 387.2037 9.29 223.6850 198.4880 188.2637 226.2804 178.4164 204.4036 9.29_615.3177m/z 615.3177 9.29 291.8091 345.9405 436.9572 416.8791 333.9873 422.5805 9.30_385.2179m/z 385.2179 9.30 398.5232 389.7469 431.0574 414.4633 444.5157 449.2926 9.30_469.4570n 487.4908 9.30 570.9786 604.4731 554.8812 580.1651 517.2251 673.6299 9.30_473.2884m/z 473.2884 9.30 195.6362 162.5726 164.3836 208.6508 222.8423 246.2110 9.30_479.2468m/z 479.2468 9.30 472.4959 547.6211 492.3413 548.4090 469.9067 606.6001 9.30_479.5004m/z 479.5004 9.30 1028.7685 987.7799 975.0073 998.6253 983.4830 1091.3557 9.30_479.7510m/z 479.7510 9.30 907.0220 813.9204 872.5266 984.5166 794.8594 948.4567 9.30_482.9966m/z 482.9966 9.30 5200.1428 4799.7532 4779.8625 5107.7855 4991.4417 5472.7001 9.30_483.2473m/z 483.2473 9.30 5197.3044 4913.8380 4742.5022 5284.4503 4934.2117 5504.1849 9.30_483.4983m/z 483.4983 9.30 2841.6772 2743.6214 2619.3405 3009.0017 2694.7524 3106.5638 9.30_483.7488m/z 483.7488 9.30 1323.0157 1293.9188 1348.4883 1414.9736 1287.2594 1445.3026 9.30_486.7383m/z 486.7383 9.30 732.8205 660.9422 666.5164 764.6634 738.5644 820.8098 9.30_486.9891m/z 486.9891 9.30 870.4244 892.7899 772.3960 951.8336 909.9700 976.6809 9.30_487.2396m/z 487.2396 9.30 790.1120 747.5819 712.1850 774.3409 784.3494 756.3301 9.30_488.9874m/z 488.9874 9.30 957.7508 1009.8782 930.7012 1082.7399 989.3192 1021.4637 9.30_489.2381m/z 489.2381 9.30 733.8014 672.1071 672.3836 777.2868 696.6454 792.8150 9.30_489.4876m/z 489.4876 9.30 683.1124 680.3774 695.2832 664.6199 681.2002 806.7616 9.30_489.7390m/z 489.7390 9.30 463.8897 398.2109 398.3259 537.3646 475.6636 569.2513 9.30_492.7330m/z 492.7330 9.30 297.6805 309.5174 290.8621 380.6725 311.2754 355.4471 9.30_492.9819m/z 492.9819 9.30 198.0909 215.4879 153.7253 215.8988 171.3864 218.8562 9.30_493.2304m/z 493.2304 9.30 129.3934 166.5916 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9.62 2353.0106 2355.7378 2402.7157 2361.3173 2327.1409 2497.0635 9.62_692.3018m/z 692.3018 9.62 1335.3882 1386.2658 1386.0126 1325.5743 1500.9868 1331.8912 9.62_693.6411m/z 693.6411 9.62 397.8358 335.2564 354.3092 431.8614 340.3531 404.6721 9.62_808.8796m/z 808.8796 9.62 735.0037 770.9301 791.8382 695.6928 738.0299 777.9048 9.62_809.3798m/z 809.3798 9.62 621.1424 626.3052 614.0113 572.9213 572.9336 662.1530 9.63_738.9979n 740.0621 9.63 904.3173 898.6516 1000.6424 1095.3300 987.1378 1070.8921 9.63_793.7432m/z 793.7432 9.63 320.4033 362.3695 312.6468 342.8320 283.0340 336.7750 9.63_839.9683n 858.0022 9.63 10724.7607 11786.1756 12828.0767 12789.8195 12924.2990 13179.1975 9.63_847.5577n 865.5915 9.63 3839.8784 4249.1313 4645.2898 4624.1267 4675.8152 4828.6949 9.63_847.7573n 865.7912 9.63 4395.3495 4937.2644 5235.2801 5317.4710 5248.9048 5658.4845 9.63_847.9580n 865.9918 9.63 4515.8569 5180.1340 5530.6292 5412.8663 5502.7320 5454.2183 9.63_848.1591n 866.1929 9.63 3395.8142 3866.5650 4253.4751 4218.2239 4098.1311 4468.0296 9.63_940.4363m/z 940.4363 9.63 452.5752 621.5487 837.5797 735.8250 750.2048 970.0322 9.64_721.6605m/z 721.6605 9.64 416.7435 471.7962 392.2015 376.7733 432.0043 563.1718 9.64_721.8263m/z 721.8263 9.64 437.9333 461.4408 624.7906 486.0646 501.6887 482.2547 9.64_722.1594m/z 722.1594 9.64 148.8366 169.0098 103.5615 185.4323 224.4262 114.1112 9.64_740.7306m/z 740.7306 9.64 361.2465 341.9829 423.8684 398.8670 456.0264 431.5081 9.64_822.1875m/z 822.1875 9.64 389.6441 534.3747 347.4112 395.1577 295.3696 443.6746 9.64_840.1685n 858.2023 9.64 16499.4834 17815.4304 20043.7549 19592.9697 19153.2909 20230.6062 9.64_848.3595n 866.3933 9.64 2319.0605 2687.2522 2932.1079 3055.4448 2820.8891 3230.0837 9.64_850.9516n 868.9855 9.64 1358.4786 1830.8276 1914.4518 1871.9893 1496.5518 1683.0325 9.64_857.5964n 858.6037 9.64 13757.6218 14251.1591 15634.3908 15594.6748 15407.0676 16032.5139 9.64_858.8043m/z 858.8043 9.64 8002.8048 8630.9396 8706.0725 8487.3432 8831.4105 9291.2710 9.64_862.7959m/z 862.7959 9.64 1462.8405 1405.0005 1466.8783 1413.1954 1491.4336 1476.9701 9.64_863.3960m/z 863.3960 9.64 829.8631 954.9658 851.7487 835.5294 857.6029 949.3678 9.64_868.7842m/z 868.7842 9.64 1021.9698 931.5241 1138.1955 1180.5464 1133.3211 1155.0996 9.64_869.1853m/z 869.1853 9.64 991.2873 1016.3100 1117.7119 1130.6451 1144.7896 1301.7863 9.64_869.3858m/z 869.3858 9.64 934.3426 1118.3792 1226.0428 1133.4378 1282.3335 1385.5375 9.64_875.4063n 858.4030 9.64 17339.1419 18664.3646 19545.9351 19489.1595 19491.4276 20533.1288 9.64_878.1763m/z 878.1763 9.64 261.0562 336.6619 456.8500 541.6588 528.4344 541.2048 9.64_878.3759m/z 878.3759 9.64 413.6396 342.9000 496.0120 406.2243 452.0001 429.7345 9.64_879.5998n 862.5965 9.64 1040.9681 1121.6711 1168.1768 1434.6382 1275.1149 1448.3543 9.64_940.6893m/z 940.6893 9.64 370.0048 453.9455 537.3974 621.8239 560.7683 714.9147 9.64_940.9417m/z 940.9417 9.64 345.1827 412.2990 427.6127 423.6038 475.0128 615.3351 9.64_941.1933m/z 941.1933 9.64 193.1929 233.2580 255.7684 301.9198 268.0879 365.0636 9.64_993.2255n 977.2029 9.64 441.9835 576.1273 563.5947 531.4775 562.1577 715.5180 9.64_993.4759n 994.4587 9.64 967.3167 987.6506 1388.2984 1129.3662 1225.1923 1211.7094 9.64_993.7248n 994.7095 9.64 755.3736 898.7285 1021.5587 915.8216 1023.2159 1118.8180 9.64_994.9594m/z 994.9594 9.64 436.6470 504.2923 639.9661 577.6887 581.0969 685.5407 9.64_995.2126m/z 995.2126 9.64 122.5158 118.5924 303.6774 261.1758 267.8923 357.9711 9.64_998.9614m/z 998.9614 9.64 524.1762 661.9942 669.7052 803.1778 741.0983 732.1150 9.64_999.2123m/z 999.2123 9.64 604.1727 607.1184 781.9866 775.0467 757.9137 950.9619 9.66_740.3962m/z 740.3962 9.66 554.1852 575.2365 601.5543 614.2353 693.3644 670.7481 9.66_873.5824m/z 873.5824 9.66 238.5523 423.0653 440.3898 408.8659 343.8898 423.3722 9.66_873.7799m/z 873.7799 9.66 283.3894 397.2580 435.2758 494.3077 384.0426 435.1831 9.68_385.2182m/z 385.2182 9.68 1020.9761 969.2693 1112.1668 994.1784 1031.0139 959.9863 9.68_520.5840m/z 520.5840 9.68 132.9098 151.8551 123.9759 89.9416 144.0962 141.6856 9.68_761.9004m/z 761.9004 9.68 429.9167 475.6849 514.5432 395.8416 411.3020 484.2591 9.69_520.9172m/z 520.9172 9.69 76.0496 134.8178 166.7406 110.3806 104.7544 125.4148 9.69_761.3969m/z 761.3969 9.69 628.2066 634.4063 601.1015 664.7382 601.3915 628.4999 9.70_249.1085m/z 249.1085 9.70 1381.3587 1221.5020 1346.6472 1342.6452 1338.5470 1439.2637 9.70_919.9257m/z 919.9257 9.70 580.6860 527.9841 554.7288 557.1563 531.6210 520.7725 9.71_115.0538m/z 115.0538 9.71 243.8009 255.2776 240.6972 241.8956 255.3646 283.4366 C9H8O Cinnamaldehyde Cinnamaldehyde HMDB03441 HIGH 9.71_145.1015m/z 145.1015 9.71 1124.4580 1224.2385 1229.7127 1176.8788 1165.6153 1232.5974 9.71_190.0980n 191.1066 9.71 2216.8675 2274.2418 2108.5976 2175.0790 2087.6738 2256.6297 9.71_202.0432m/z 202.0432 9.71 1182.7208 1151.6768 1239.7344 1205.5246 1202.7482 1121.5457 9.71_225.1094m/z 225.1094 9.71 534.9727 481.3933 482.2477 520.3771 495.9427 545.3536 C10H18O4 Sebacic acid Sebacic acid HMDB00792 9.71_236.1049n 259.0940 9.71 21967.2308 22390.4390 22293.6804 22098.1527 21901.9422 22128.3670 C13H16O4 Mono-n-pentyl phthalate 24539-56-8 HIGH 9.71_253.0984m/z 253.0984 9.71 1136.5172 1206.3882 1196.3739 1179.8844 1200.1973 1292.2962 9.71_291.0326m/z 291.0326 9.71 932.7092 912.4637 948.5310 964.6389 913.6325 934.2067 9.71_292.0628n 275.0595 9.71 11104.9150 11347.6775 10948.2093 11087.9057 11112.3582 11099.3177 9.71_299.0272m/z 299.0272 9.71 1358.4576 1394.7166 1371.2099 1288.6691 1342.1768 1279.0304 C8H12INO2 3-Iodo-2-propynyl butyl carbamate MEDIUM 9.71_303.0215m/z 303.0215 9.71 766.0258 788.9488 808.9247 724.3815 675.6936 720.5629 9.71_511.1624m/z 511.1624 9.71 870.9271 853.2602 888.9458 852.3944 879.1316 943.2062 9.71_666.3197m/z 666.3197 9.71 484.2938 373.8732 428.1998 394.4236 406.0268 454.9718 9.72_117.0704m/z 117.0704 9.72 584.5090 611.0938 566.9983 592.5122 559.4662 578.0140 C9H8 Indene 33051 MEDIUM 9.72_497.1823m/z 497.1823 9.72 518.0836 561.3546 550.3860 537.9711 545.8856 615.2472 9.72_654.8192m/z 654.8192 9.72 484.8913 544.6638 500.3204 462.2131 474.2217 484.2304 9.72_665.8188m/z 665.8188 9.72 690.5391 702.3983 735.9508 718.1755 739.3489 676.8811 9.72_673.7924m/z 673.7924 9.72 353.5231 249.5383 371.6856 338.9267 284.6261 319.6325 9.73_128.0622m/z 128.0622 9.73 204.4157 177.4751 186.7126 159.8310 166.2340 194.2061 9.73_163.0753m/z 163.0753 9.73 1669.1179 1641.6298 1713.1074 1628.7639 1571.5681 1656.8028 C10H12O3 Propylparaben HMDB32574 94-13-3 HIGH 9.73_176.1204n 159.1171 9.73 2191.6662 2219.1001 2200.9255 2205.8079 2148.2172 2156.1856 9.73_222.1258n 245.1148 9.73 14388.9537 14986.0885 14981.5589 14436.9155 14651.9057 14555.9857 9.73_232.0376n 215.0343 9.73 1045.9393 1059.5221 1120.2493 1076.9033 937.5559 934.2216 C12H8O5 9-Hydroxy-4-methoxypsoralen MEDIUM 9.73_267.1022m/z 267.1022 9.73 1458.3161 1483.3183 1531.8388 1401.4141 1506.4277 1536.1668 9.73_290.0968n 313.0480 9.73 939.3342 927.6953 929.3340 886.6856 863.2990 929.0365 9.73_291.1071m/z 291.1071 9.73 747.1239 696.0348 702.6479 660.7043 657.3827 666.1868 C11H16N4O4 Pentostatin Pentostatin MEDIUM 9.73_307.0859m/z 307.0859 9.73 4897.7104 5033.3219 5074.0482 4888.5233 4869.1163 4907.6491 9.73_600.0725m/z 600.0725 9.73 353.8080 362.2825 437.7035 409.1617 382.8637 394.3747 9.74_599.3194m/z 599.3194 9.74 1220.8942 1175.5786 1293.6017 1209.8135 1296.5591 1317.6486 9.74_599.5705m/z 599.5705 9.74 1140.7013 1197.2709 1167.8843 1112.5562 1268.6221 1213.3195 9.74_599.8212m/z 599.8212 9.74 848.6043 835.4142 962.8404 873.0771 898.9507 909.5604 9.74_608.8035m/z 608.8035 9.74 238.1900 189.7613 217.5317 137.6336 243.1338 150.9990 9.74_609.0566m/z 609.0566 9.74 238.6403 220.0714 236.5360 213.5085 218.6102 191.6497 9.74_727.3797m/z 727.3797 9.74 393.6138 445.0499 416.1233 467.1313 372.8445 349.8268 9.74_727.7134m/z 727.7134 9.74 398.0590 359.1828 486.5578 435.3842 353.9673 343.8575 9.74_728.0448m/z 728.0448 9.74 178.0146 164.5685 236.0683 277.6780 194.0658 242.4536 9.74_798.7569m/z 798.7569 9.74 1628.0881 1605.6709 1655.3295 1598.2605 1552.0569 1597.2852 9.74_799.0918m/z 799.0918 9.74 1523.4683 1633.9831 1587.7763 1595.8211 1559.5701 1574.0630 9.74_799.4247m/z 799.4247 9.74 983.6981 998.0059 1086.1220 1008.8146 936.2977 991.9859 9.74_900.0006m/z 900.0006 9.74 186.7148 344.1339 186.7730 378.3610 327.0112 389.0958 9.75_288.1591m/z 288.1591 9.75 682.4204 728.0773 746.7114 670.5364 645.6554 710.0708 C17H21NO3 Galantamine 5264 MEDIUM 9.75_331.2129m/z 331.2129 9.75 6730.1354 6550.4922 6651.4845 6424.6694 6518.7179 6625.1337 9.75_486.1738m/z 486.1738 9.75 259.8275 302.1666 262.1003 263.3375 278.8390 283.8298 9.75_584.8073m/z 584.8073 9.75 219.4473 216.4021 212.6860 160.1543 155.0039 159.5872 9.75_585.3095m/z 585.3095 9.75 148.5293 159.1391 125.3185 136.7578 124.4385 128.9736 9.75_899.7495m/z 899.7495 9.75 212.9018 283.4363 56.5320 239.8840 250.5243 363.5370 9.76_585.0600m/z 585.0600 9.76 167.2780 158.0443 189.0763 177.3601 160.7810 118.7033 9.78_177.1258m/z 177.1258 9.78 556.3439 550.9516 527.3053 583.9618 527.7134 582.6739 9.78_605.3285m/z 605.3285 9.78 244.3222 280.8774 272.9799 297.7408 257.6251 291.5893 9.79_315.1346m/z 315.1346 9.79 402.7114 397.9267 388.3851 406.0192 421.9104 477.6062 9.80_618.3266n 641.3328 9.80 1870.2298 1825.5873 1856.6104 1864.2336 1869.7709 1756.1850 9.80_618.8304n 641.8347 9.80 1016.0792 1048.8859 1043.1120 1072.7893 1007.1510 1037.0310 9.81_269.1359m/z 269.1359 9.81 1537.4301 2044.3063 1834.0037 2426.0946 2805.3898 5114.0878 C10H13N5O3 Deoxyadenosine Deoxyadenosine 17256 MEDIUM 9.81_291.1894m/z 291.1894 9.81 648.8918 698.1520 717.5778 674.7685 643.8532 713.4438 9.81_867.0938m/z 867.0938 9.81 929.5851 830.9530 1004.2453 865.2892 983.2427 938.7036 9.81_867.4284m/z 867.4284 9.81 909.2962 960.5513 1061.4574 968.2983 933.3357 966.8467 9.81_867.7600m/z 867.7600 9.81 702.2232 647.6950 728.6472 682.3189 710.2020 696.2500 9.82_223.1257m/z 223.1257 9.82 1599.3095 1564.2647 1585.9251 1598.2876 1585.2013 1483.5940 9.83_360.1936n 383.1815 9.83 3427.5894 3509.0930 3582.2281 3520.2796 3423.1704 3478.5410 C21H28O5 Cinerin II 3707 MEDIUM 9.83_715.3446m/z 715.3446 9.83 652.6523 670.1449 687.3520 626.5797 675.2667 686.2098 9.88_812.8870m/z 812.8870 9.88 686.3202 758.9429 879.0715 768.7656 728.4768 734.7576 9.88_813.1371m/z 813.1371 9.88 413.0653 523.3804 520.6451 594.9552 446.9937 452.4443 9.88_829.3887n 830.4326 9.88 2446.0261 2496.9438 2602.8745 2534.1792 2576.9521 2680.0272 9.88_848.0704m/z 848.0704 9.88 107.5104 126.3511 123.9981 117.8999 138.5416 151.7021 9.89_609.3421m/z 609.3421 9.89 270.2552 292.3260 264.1567 256.1041 239.8569 325.8108 9.89_632.8142m/z 632.8142 9.89 244.7763 278.1208 263.3190 268.8379 314.3715 275.3562 9.89_633.3095m/z 633.3095 9.89 204.6820 139.7401 234.0917 214.4758 228.9664 213.3191 9.89_812.6347m/z 812.6347 9.89 808.1989 1016.9998 977.0617 997.6929 1026.4744 929.9560 9.89_820.0612n 838.0950 9.89 2799.4779 2962.8403 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