Compound m/z Retention time (min) UP_A_03_7 UP_A_03_8 UP_A_03_9 UP_A_03_10 UP_A_03_11 UP_A_03_12 Formula Identification RefMet HMDB ID ChEBI ID CAS ID Confidence 0.03_170.9774m/z 170.9774168 0.03 178.7875 188.7359 176.6403 179.2289 176.0086 188.2056 0.03_209.9280m/z 209.9279577 0.03 1613.8061 1499.2109 1575.5560 1237.3018 1544.6285 1579.0648 0.06_159.9578m/z 159.9578041 0.06 385.0274 369.6883 376.1565 359.3701 432.5691 437.7962 0.06_223.9070m/z 223.9070092 0.06 1496.8051 1337.1808 1381.5512 1132.4176 1347.7526 1382.3198 0.08_178.9102m/z 178.9102215 0.08 1160.8086 1088.7382 1094.4991 697.8836 1077.5746 1101.1521 0.09_136.9310m/z 136.9309983 0.09 1501.0366 1325.1957 1486.6873 1346.0985 1467.0001 1455.8399 0.09_195.9124m/z 195.9124223 0.09 1534.7817 1359.4287 1436.0809 1256.7736 1432.0980 1421.9114 0.10_151.9223m/z 151.922347 0.10 570.2739 532.7735 552.2116 411.3470 530.9194 543.7182 0.25_279.8655m/z 279.8654631 0.25 904.6401 839.9006 793.4524 721.5758 842.7380 860.8528 0.27_154.9791m/z 154.9790885 0.27 126.1176 100.5623 132.3293 120.6562 123.1283 115.3493 0.30_166.9590m/z 166.9589973 0.30 117.0385 96.0987 121.9294 106.7178 108.2275 105.3108 0.43_125.9864m/z 125.9863801 0.43 47.6748 28.4064 40.3992 53.9949 38.4888 30.3383 0.43_162.9376m/z 162.9376177 0.43 110.9822 92.9891 97.6699 73.4143 103.3159 102.4187 0.46_149.0238m/z 149.0238445 0.46 7559.6958 6341.5541 6855.3327 6928.2370 6660.7180 6753.8674 C5H11NO3S Methionine sulfoxide Methionine sulfoxide HMDB02005 MEDIUM 0.48_163.9642n 164.9703607 0.48 568.6329 474.1358 573.0061 384.6993 556.7708 527.5895 0.48_166.9605m/z 166.9605291 0.48 290.6384 236.2426 284.1913 243.7978 272.1431 256.7932 0.48_192.9724m/z 192.9723861 0.48 122.4271 98.3697 131.3680 90.2136 132.3070 100.2516 0.48_303.0267m/z 303.0266625 0.48 220.5600 220.3171 284.5037 301.2620 333.8639 318.8886 0.49_186.9173m/z 186.9173498 0.49 169.7341 154.8968 171.2052 104.0945 138.2901 144.5069 0.49_228.9444m/z 228.9443721 0.49 217.4418 188.6316 254.0413 185.6658 207.3903 195.6854 0.49_262.9342n 245.9308887 0.49 516.9084 421.0689 512.9141 351.5256 471.3258 431.4458 0.49_305.0245m/z 305.0244774 0.49 65.7179 69.1365 76.5307 95.1942 109.0028 106.7119 0.50_198.9399m/z 198.9399212 0.50 1458.6534 1116.9196 1298.8715 1044.7230 1139.5356 1084.3157 0.50_211.9100n 234.9332477 0.50 399.2182 300.6463 396.3227 321.8177 343.1057 334.0813 0.50_214.9150m/z 214.915045 0.50 2390.3657 1842.6594 2209.9845 2030.5138 2116.4177 2111.4669 0.50_234.1807m/z 234.1807219 0.50 315.0892 377.5352 364.8117 323.8281 352.1820 368.4763 0.50_259.9979n 242.9946282 0.50 3811.8438 3778.7846 4314.7081 4315.8428 4477.3108 4528.4473 0.50_265.9287m/z 265.9287023 0.50 146.1475 87.3002 98.2060 66.6971 94.6664 102.1677 0.50_384.8950n 385.874943 0.50 1514.0496 1319.0444 1567.8912 1072.8748 1489.3812 1330.1708 0.51_101.0099m/z 101.0099137 0.51 941.8070 882.4464 968.8281 822.4415 977.9783 965.0334 0.51_103.0074m/z 103.0073778 0.51 171.1188 171.8136 179.0096 147.9132 165.5022 175.0943 0.51_115.9795n 138.9724049 0.51 1152.2277 1076.9416 1146.1052 1014.9697 1103.3009 1085.8465 0.51_125.9653n 126.9747202 0.51 1167.1183 1061.8798 1127.8744 1138.1325 1073.6816 1115.3407 0.51_131.9914n 154.967981 0.51 2286.6743 2323.8081 2434.5705 2094.1124 2345.8627 2282.5857 0.51_146.0185n 129.0152534 0.51 1248.5610 1142.7842 1412.0730 1473.1670 1451.3046 1434.9508 0.51_161.9903n 144.9870543 0.51 391.4768 352.7256 378.5885 368.0868 389.7936 353.2053 0.51_173.9686n 174.974315 0.51 1345.3993 1429.3929 1359.4704 1418.4018 1339.7873 1495.8247 0.51_189.9817n 172.9783848 0.51 787.4115 784.4769 849.9561 755.2117 807.4567 765.4704 0.51_199.9660n 182.9627281 0.51 60690.0733 61561.0237 63388.8525 59976.8638 62754.6419 61716.2474 0.51_217.9378m/z 217.9378283 0.51 159.8950 144.9888 178.2590 110.5551 134.9895 141.9311 0.51_224.9036m/z 224.9036485 0.51 208.6240 118.4924 138.9161 71.0555 135.8957 114.5295 0.51_234.9998m/z 234.9997703 0.51 62.9553 73.9605 56.2179 44.7553 70.0361 66.4704 0.51_291.0707m/z 291.0707133 0.51 622.5800 558.8515 589.4313 572.1801 599.1110 594.8910 0.51_328.9138m/z 328.9138287 0.51 607.5676 529.6946 601.7920 561.3918 593.9005 566.2940 0.51_346.9224m/z 346.9223669 0.51 135.8631 62.5563 123.0308 52.7179 110.0041 50.8423 0.51_373.9290n 356.925739 0.51 1625.7994 1937.6211 1546.0063 1851.6589 1638.9433 1941.0332 0.51_394.8951n 417.8858532 0.51 293.0568 262.6820 269.8629 230.2022 254.9979 274.4905 0.51_413.8705m/z 413.870467 0.51 681.2275 765.8333 675.0842 677.0857 691.7495 767.4222 0.51_442.9581m/z 442.9580943 0.51 194.7712 226.9875 210.9887 293.5403 273.2963 230.2897 0.51_484.8660m/z 484.8660204 0.51 260.8557 261.8340 267.4279 271.4457 264.6516 260.7579 0.51_510.8723m/z 510.8722571 0.51 454.4082 541.9665 482.6003 520.8264 447.9200 531.2971 0.51_570.8564m/z 570.8564113 0.51 610.8738 698.6506 606.1503 607.4318 519.6241 655.6675 0.51_647.8384m/z 647.8383955 0.51 353.9271 419.1046 343.3869 397.9602 338.4133 411.8067 0.51_66.0192m/z 66.01921899 0.51 224.9596 181.4383 230.6570 305.5074 201.0827 196.8398 0.51_82.0143m/z 82.01430317 0.51 863.3542 687.9869 835.2204 1110.1977 799.8345 808.9735 0.51_85.0249m/z 85.02493884 0.51 80.3878 76.4243 91.3981 86.5617 99.0938 93.7128 0.51_85.9863n 68.98299342 0.51 2255.2973 2093.8578 2233.9917 2166.9008 2193.0143 2192.9180 0.53_127.0122n 110.008941 0.53 3955.8144 3058.1789 3721.9740 5274.3016 3357.4077 3354.0964 0.53_167.9985m/z 167.9985304 0.53 164.6063 124.0796 150.8684 183.2533 120.7310 95.3197 0.53_212.9577m/z 212.9576864 0.53 242.4085 243.1027 262.0929 236.5014 253.6328 246.0353 0.53_217.9770n 240.9527546 0.53 4228.8003 4675.2087 4306.9195 4376.4345 4167.7100 4549.9149 0.53_231.9926n 214.9892866 0.53 1800.1163 1856.3717 1835.1973 1607.4677 1825.4176 1765.5764 0.53_240.9923n 223.9889926 0.53 3116.2292 2533.9724 3028.9057 4251.3926 2629.8950 2670.9503 0.53_254.8928m/z 254.8927828 0.53 498.4725 383.7715 530.5572 353.8487 421.0957 404.0606 0.53_268.9478m/z 268.9477882 0.53 10551.1588 10812.0034 10994.1742 10461.6733 10715.3921 10772.4118 0.53_313.9459n 336.9215896 0.53 7638.9330 7846.4083 8063.5295 7552.4203 7892.9794 7650.2902 0.53_329.9230n 312.9197152 0.53 493.0833 404.6244 466.2705 397.0729 395.7319 417.0539 0.53_354.9326m/z 354.9325764 0.53 614.2830 671.7161 678.9086 614.1219 650.7373 598.7974 0.53_372.9241m/z 372.9241083 0.53 356.6844 477.7833 318.9393 454.0444 320.1389 454.6921 0.53_398.9052m/z 398.9052031 0.53 604.7284 541.7765 629.9312 542.8270 540.1028 531.4456 0.53_399.9313n 382.9279749 0.53 4587.1880 5025.8732 5029.3788 4890.9357 4865.2948 4800.8371 0.53_401.9291n 384.9258344 0.53 6014.0311 6346.0901 6275.7735 6273.3485 6272.8804 6175.6040 0.53_412.9210m/z 412.9209625 0.53 517.6421 551.2943 571.4824 555.8711 512.3416 519.7450 0.53_444.9553m/z 444.9553015 0.53 261.6354 324.3838 318.0630 373.1804 327.3829 419.1409 0.53_450.9024m/z 450.9024152 0.53 3826.5043 4024.0705 4228.3822 4048.2778 4142.1035 3896.5714 0.53_496.9072m/z 496.9071926 0.53 861.4142 933.1384 958.3657 907.4684 935.1878 875.2900 0.53_498.9051m/z 498.9050589 0.53 1517.9356 1622.6885 1650.1159 1623.6273 1562.1365 1570.4682 0.53_528.8982n 512.8756067 0.53 646.0630 692.8203 697.8333 728.9690 627.0725 711.4813 0.53_554.8889m/z 554.8888662 0.53 136.7642 216.8010 146.1376 197.1629 164.7716 187.7158 0.53_554.9063n 538.8836704 0.53 3373.6648 3565.2998 3671.4909 3610.2879 3583.8012 3575.8386 0.53_582.8936m/z 582.8936393 0.53 1022.2687 1257.9103 1173.3082 1198.2018 1175.6013 1153.2355 0.53_601.8956n 584.8923113 0.53 2264.0052 2628.2289 2441.0510 2631.8094 2328.3336 2534.2561 0.53_610.8853m/z 610.8853208 0.53 1550.7609 1746.0918 1750.5621 1644.2902 1645.3195 1623.7092 0.53_612.8854m/z 612.8853685 0.53 2910.6995 3075.5576 3097.3917 3092.8856 3105.3813 3007.9117 0.53_638.8833m/z 638.8833424 0.53 977.3630 1126.8138 1135.6986 1068.3147 1099.8179 1039.0352 0.53_640.8821m/z 640.8820745 0.53 2907.0245 3140.0894 3266.7146 3009.8080 3188.6553 2846.5145 0.53_683.3738m/z 683.3737865 0.53 50.9174 44.4407 35.7445 35.2054 44.5782 44.8953 0.53_684.3735m/z 684.373534 0.53 79.3522 77.9965 117.9989 101.7504 98.8701 98.3141 0.53_697.3633m/z 697.3632944 0.53 100.3034 111.5456 122.9088 111.7344 118.0574 95.2189 0.53_728.3621m/z 728.3621272 0.53 103.5128 75.8843 88.4008 107.6430 94.6074 107.1609 0.53_741.3608m/z 741.3607864 0.53 176.6869 226.7953 213.0925 178.8836 196.6214 193.8333 0.53_753.8422m/z 753.8422396 0.53 249.1701 299.4065 265.7529 293.3035 245.6004 303.0854 0.53_756.8425m/z 756.84249 0.53 253.2028 361.1903 279.9228 354.1698 278.7698 346.8325 0.53_798.3411m/z 798.3410517 0.53 355.6202 360.0897 375.6679 379.8873 344.3252 379.6461 0.54_250.9502m/z 250.9501555 0.54 872.7611 830.7081 825.7269 847.4575 818.5506 880.4345 0.54_251.1601m/z 251.160101 0.54 122.4620 107.5667 127.7572 114.2990 156.9976 92.1919 0.54_352.8959m/z 352.8959442 0.54 177.1760 130.5707 157.4615 121.3099 131.0292 116.2645 0.54_366.9286m/z 366.9286274 0.54 113.7870 127.7587 142.0495 122.1657 122.5282 109.5778 0.54_421.9222n 404.9188666 0.54 1218.1624 1232.8380 1305.6945 1193.9590 1292.0760 1204.9541 0.54_518.8899m/z 518.8899229 0.54 377.6218 386.4572 398.7691 372.2590 374.2668 385.2370 0.54_603.8555n 626.8624906 0.54 1137.3557 1262.4223 1167.9725 1213.7299 1128.8565 1122.5870 0.54_605.8645m/z 605.8645438 0.54 424.1163 514.8621 483.9650 449.5313 458.2182 428.8125 0.54_606.8619m/z 606.8618553 0.54 2406.1414 2716.2147 2622.5124 2581.2002 2468.1531 2534.1469 0.54_620.8437m/z 620.8437284 0.54 112.1777 123.8519 123.0209 92.3707 75.6021 105.3528 0.54_654.8642m/z 654.864198 0.54 1151.1662 1263.7571 1151.3157 1179.3010 1125.4189 1192.2291 0.54_700.8668m/z 700.8667867 0.54 392.0771 385.2809 381.8872 403.7307 354.8259 437.8726 0.54_711.8385m/z 711.8384985 0.54 162.1371 139.6498 163.7699 157.9682 162.7554 153.4766 0.54_725.8614m/z 725.8614425 0.54 264.8905 293.5772 257.5817 288.7215 277.5983 266.6836 0.54_793.8430m/z 793.8430028 0.54 148.4896 210.4232 161.0629 219.7052 165.5248 209.3346 0.55_159.1495m/z 159.1495359 0.55 1376.9206 1280.3196 1449.3613 1390.0298 1356.0945 1429.6009 C8H15NO Tropine MEDIUM 0.55_288.9185m/z 288.9184738 0.55 2703.7691 2100.0181 2689.8494 2165.3709 2637.7193 2330.6564 0.55_290.9481n 273.9447936 0.55 865.2923 788.0061 842.6667 791.9173 826.2147 798.6687 0.55_318.9365m/z 318.9365398 0.55 2338.6242 2213.5720 2281.8178 2207.6723 2272.5481 2331.4521 0.55_335.9127m/z 335.912658 0.55 75.6372 71.9011 87.8893 68.2642 80.3122 87.2951 0.55_420.8879m/z 420.8879221 0.55 187.6620 221.1551 171.5275 193.3231 138.6668 196.0182 0.55_472.9013m/z 472.9012566 0.55 948.6880 848.7399 976.3915 891.1663 992.1315 881.5682 0.55_486.8635m/z 486.8634852 0.55 337.7344 323.1335 347.6331 299.5935 320.1324 304.6533 0.55_488.8691m/z 488.8691349 0.55 256.1558 267.0020 269.6129 252.5859 209.9247 244.5149 0.55_530.8589m/z 530.8588621 0.55 673.9559 694.9448 625.8489 723.3898 590.4468 756.1153 0.55_538.9208n 556.872819 0.55 1566.5224 1565.6589 1656.6649 1587.1980 1563.8086 1584.5438 0.55_624.8540m/z 624.8539726 0.55 349.0753 442.6811 359.0164 465.1080 321.6293 442.8585 0.55_625.8599m/z 625.8599152 0.55 224.1876 214.4786 210.2150 229.1341 216.0012 241.0047 0.55_658.8692m/z 658.8691718 0.55 994.6514 1081.7323 904.4676 1079.1928 862.3613 1105.8345 0.55_678.8627m/z 678.8627187 0.55 420.1520 410.4567 389.3788 417.5058 376.6115 406.1781 0.55_687.8551n 670.8518226 0.55 1024.7829 1258.8659 1046.0991 1133.9301 906.8849 1168.5371 0.55_690.8300m/z 690.8300106 0.55 436.2334 453.1198 409.5515 467.5247 372.3926 469.7936 0.55_691.8528n 674.8494979 0.55 1536.9590 1505.5303 1489.0515 1580.3814 1405.1483 1552.5135 0.55_693.8455m/z 693.845466 0.55 134.3041 143.1100 131.4414 167.8614 133.4572 144.8767 0.55_720.8837n 738.8369067 0.55 1444.5426 1715.6963 1456.7990 1740.2075 1476.7002 1729.3080 0.55_726.8610m/z 726.8609536 0.55 2119.3733 2436.3815 2129.3435 2466.2013 2084.3009 2463.3856 0.55_739.8545n 722.851224 0.55 1180.9773 1259.0790 1213.6654 1302.3155 1182.6034 1257.0114 0.55_742.8386m/z 742.838591 0.55 1456.4506 1235.0440 1418.5352 1408.7074 1423.9892 1321.6133 0.55_758.8167m/z 758.8167461 0.55 1197.9931 1241.7347 1152.8426 1281.5218 1142.7106 1330.3264 0.55_768.8444m/z 768.8444365 0.55 441.9944 500.2371 408.6921 493.1638 418.5340 520.4605 0.55_772.8452m/z 772.8451736 0.55 938.1286 1065.9115 867.8128 1198.9125 837.9196 1211.1867 0.55_794.8424m/z 794.842389 0.55 1683.6693 1691.6312 1657.3054 1868.8629 1665.5543 1851.3411 0.55_810.8253m/z 810.8252849 0.55 2007.4742 1908.3984 2027.1088 2143.9605 1989.4856 2019.2975 0.55_830.3120n 853.3155546 0.55 579.3781 587.6285 540.4214 601.6376 608.8463 649.9456 0.55_840.8412m/z 840.8411623 0.55 1273.2930 1662.2705 1261.3570 1660.2903 1281.0855 1672.0658 0.55_851.8203n 874.8028967 0.55 1606.9189 1543.5264 1580.0355 1625.7845 1547.1826 1663.4061 0.55_854.8245n 877.8086845 0.55 451.3290 473.2841 483.3533 498.6661 448.4016 478.8739 0.55_856.8165m/z 856.8164929 0.55 1319.8711 1319.3594 1303.2228 1390.8427 1263.8344 1380.0931 0.55_862.8259m/z 862.8259319 0.55 2943.6350 3307.5819 2941.8425 3636.9982 2914.2932 3475.7008 0.55_901.3099n 884.3066465 0.55 423.4924 431.2128 385.8357 483.1367 421.4864 446.9719 0.55_920.7892n 943.7911146 0.55 514.5218 508.1341 540.2925 540.6039 486.9015 505.7460 0.55_941.7996n 924.7963079 0.55 1917.7501 1795.4500 1893.7500 1928.6181 1968.3281 1922.7378 0.55_99.0724n 100.0762061 0.55 721.0880 732.2184 743.1199 781.1174 743.9576 819.6978 0.55_992.7790m/z 992.7790075 0.55 996.5981 921.3425 950.5339 1001.8734 1007.6457 981.1725 0.56_106.9511m/z 106.951125 0.56 872.9484 673.1757 788.7662 751.6613 777.1833 782.6443 0.56_158.9644m/z 158.9643823 0.56 1210.6042 952.3353 1121.3013 1073.8021 1094.3982 1146.1002 0.56_226.9516m/z 226.9516284 0.56 2116.2263 1644.4532 1996.7972 1869.6488 2014.6632 1912.8952 0.56_235.8975n 258.8994836 0.56 2449.6266 1761.7950 2249.7689 2053.2638 2169.8248 2170.7710 0.56_239.1133m/z 239.1133468 0.56 422.1271 347.5578 395.1190 371.0048 400.9020 399.9441 0.56_242.9255m/z 242.9254972 0.56 2770.7907 1637.5494 2462.6137 1913.1554 2452.5654 2026.1954 0.56_304.8929m/z 304.8928532 0.56 1489.9344 1165.9202 1439.5351 1257.4213 1402.7194 1305.5961 0.56_346.1321n 347.1393345 0.56 204.9470 216.3333 212.3795 223.6700 195.4820 229.9104 0.56_362.9260m/z 362.9259701 0.56 909.4125 592.7797 806.7131 689.5872 759.2032 725.4244 0.56_423.8865n 424.8937902 0.56 2564.9158 1888.1336 2325.5736 2098.7090 2264.0659 2221.9868 0.56_425.9216n 408.918344 0.56 3785.2190 3443.0515 3793.1788 3479.3442 3641.7128 3581.6976 0.56_430.9124m/z 430.9123742 0.56 941.1084 717.0421 862.4340 774.0768 859.3000 819.5000 0.56_493.9088n 476.9054889 0.56 716.2002 641.0153 669.4788 626.9525 665.0047 680.0838 0.56_508.1853n 531.1778425 0.56 83.2985 102.3789 97.6713 101.3365 108.2527 121.3055 0.56_514.8772m/z 514.8771528 0.56 1016.3121 845.7821 979.7011 925.3756 896.2104 900.7367 0.56_566.8848m/z 566.8847527 0.56 763.1220 718.3175 741.1214 726.8987 718.7208 737.1335 0.56_577.8733n 560.8700415 0.56 881.7359 1030.3981 889.4680 1027.5168 850.1382 1047.2622 0.56_596.8478m/z 596.8477761 0.56 372.2690 458.0073 346.1751 486.2465 347.3109 441.8627 0.56_598.8432m/z 598.8431608 0.56 929.6057 794.8214 865.7517 872.8397 851.0870 879.7107 0.56_618.8395m/z 618.8395153 0.56 306.3462 348.8368 308.1636 288.9184 274.9181 276.6261 0.56_627.8504n 628.8576384 0.56 3276.6014 2802.8257 3130.7000 3085.1991 2977.0814 3041.7611 0.56_664.8291m/z 664.8290545 0.56 293.5107 474.0576 279.3040 420.9298 272.5638 486.5614 0.56_666.8266m/z 666.8265656 0.56 568.4358 502.5486 497.8694 575.4124 499.2857 570.7169 0.56_680.8669m/z 680.8668697 0.56 1364.6508 1221.4538 1349.3412 1283.7921 1298.6884 1329.2077 0.56_695.8428n 696.8501197 0.56 2868.6553 2684.2294 2683.0928 2852.6723 2649.0493 2766.9516 0.56_702.8603m/z 702.8602746 0.56 546.7276 526.5400 478.9309 573.1731 523.3914 575.8817 0.56_711.8177n 734.8148424 0.56 1272.8796 1129.2050 1171.3561 1275.2285 1101.6000 1261.7202 0.56_733.8319m/z 733.8319187 0.56 135.8161 160.3710 123.1199 159.5617 132.9157 170.9822 0.56_748.8534m/z 748.8533564 0.56 819.9371 746.7476 753.9302 784.0179 730.1902 783.7259 0.56_754.8306m/z 754.8305627 0.56 781.2810 788.3539 778.8073 808.3011 783.0414 792.1407 0.56_763.8244n 786.8288717 0.56 3134.6818 2803.2472 2917.4154 3065.8788 2932.4984 3060.5921 0.56_778.8140m/z 778.8140357 0.56 466.5617 557.0669 423.4233 545.2393 455.3562 555.4624 0.56_779.8006n 780.807871 0.56 2439.7272 2538.3428 2333.9597 2843.1669 2367.4907 2774.9252 0.56_784.3409m/z 784.3408823 0.56 315.0689 352.0261 340.4795 342.0943 385.7982 324.3460 0.56_788.8327n 806.8180758 0.56 1270.1558 1353.4886 1153.8610 1339.0109 1182.2912 1381.8979 0.56_802.7762n 820.8100399 0.56 715.2894 598.8512 661.1790 632.5527 670.2070 642.3697 0.56_803.8017n 826.8079748 0.56 2111.1064 2224.1322 2003.2763 2381.4898 2006.5597 2338.4990 0.56_815.8304n 838.8184744 0.56 1664.4153 1640.0747 1555.0222 1670.2069 1623.8755 1701.0930 0.56_818.8096m/z 818.8096397 0.56 662.1584 640.3851 603.5874 723.3293 601.1639 705.9196 0.56_821.8017n 844.8104439 0.56 1456.4166 1741.4180 1337.4979 1862.2857 1420.8650 1853.4764 0.56_847.7902n 870.8049223 0.56 2695.1154 2677.7627 2378.5979 2911.4669 2516.7159 2933.7241 0.56_854.8138m/z 854.8137726 0.56 890.0222 902.6600 793.4260 954.1025 833.6248 897.3204 0.56_877.8361n 878.8097111 0.56 2458.6773 2485.8475 2376.8159 2663.4831 2382.6590 2700.1936 0.56_884.8188m/z 884.8188356 0.56 866.3678 1056.4278 829.1257 1104.5826 901.6416 1069.5173 0.56_886.7976m/z 886.7976329 0.56 1297.0635 1343.4315 1251.9972 1368.6010 1240.1584 1368.1882 0.56_890.7977m/z 890.797679 0.56 1215.1653 1274.0497 1139.0089 1276.0575 1199.2254 1292.7033 0.56_899.7991n 900.8063762 0.56 2689.5330 2524.8184 2472.2813 2720.2846 2541.3711 2749.6851 0.56_90.9770m/z 90.97702891 0.56 1274.5714 1020.7252 1199.1696 1078.5405 1206.1057 1147.7092 0.56_905.7877n 906.7949912 0.56 3779.3753 3893.2035 3643.9281 4042.4079 3750.2071 4016.0265 0.56_911.7937n 894.7904391 0.56 3410.2151 3380.1990 3321.7246 3758.5356 3332.9899 3710.8484 0.56_915.7799n 938.7825799 0.56 1446.8877 1496.8039 1432.9131 1562.9178 1452.6975 1593.9223 0.56_932.7850m/z 932.7850187 0.56 1119.8544 1181.6567 1009.6544 1329.0509 1080.3863 1318.7692 0.56_953.7939n 954.7911328 0.56 2198.0760 2262.1152 2109.0880 2530.3192 2271.0057 2415.2486 0.56_957.7797n 980.7790071 0.56 1784.5331 1868.3169 1671.2585 2093.1974 1827.5568 2071.0045 0.56_968.7906m/z 968.7906308 0.56 2230.0127 2218.2474 2080.6536 2320.5133 2105.4719 2353.2877 0.56_974.7790m/z 974.7790089 0.56 406.4269 487.5315 358.8828 500.9991 412.9109 549.2620 0.56_978.7818m/z 978.7817781 0.56 658.8600 699.0312 635.0726 701.8433 649.9588 752.9933 0.56_984.7803m/z 984.780251 0.56 1479.9345 1436.3148 1358.1154 1526.6126 1448.8272 1485.1543 0.57_122.9253m/z 122.9253168 0.57 3460.5012 2559.6173 3181.7453 3096.2706 3114.8363 3197.6529 0.57_124.9237m/z 124.9236996 0.57 478.0516 343.7121 444.1989 388.6561 425.4461 409.5153 0.57_207.0512m/z 207.0511503 0.57 295.2565 271.1996 293.0234 264.0609 295.7328 276.3300 0.57_232.9069m/z 232.9069378 0.57 1364.2888 1181.9292 1329.8757 1317.2451 1319.5588 1397.8434 0.57_248.8811m/z 248.8810858 0.57 2420.6927 1865.3978 2273.9714 2132.5110 2214.1499 2194.1139 0.57_345.8805n 368.8809924 0.57 1054.5343 940.5457 1066.7694 995.1964 1057.1221 1006.8474 0.57_414.8796m/z 414.8795576 0.57 973.4834 777.6156 1065.8204 768.5749 991.2773 793.6637 0.57_436.7947m/z 436.7947095 0.57 724.4575 709.3852 738.0320 711.3801 727.9631 717.1838 0.57_504.8578m/z 504.8578314 0.57 534.1303 406.7145 506.8744 460.4087 472.5651 476.9587 0.57_510.8139m/z 510.8139051 0.57 1283.3583 1119.5801 1268.3594 1237.6203 1235.3804 1225.9942 0.57_542.7611m/z 542.7611468 0.57 1716.0779 1469.0860 1617.7836 1663.5245 1595.3750 1634.9532 0.57_708.8031m/z 708.8031301 0.57 817.2060 834.0157 792.8274 920.0212 815.9560 846.8243 0.57_714.7959m/z 714.7958797 0.57 1090.6858 933.4800 1029.3272 1081.7017 1037.1269 1094.8872 0.57_776.7826m/z 776.7826307 0.57 875.9694 926.3910 868.7713 1099.4999 861.1126 1074.0139 0.57_792.7934m/z 792.7934437 0.57 663.6789 613.5213 632.9147 690.8881 613.5248 699.1997 0.57_824.7618m/z 824.7617907 0.57 531.4802 575.5407 487.6858 663.5477 510.5432 652.2026 0.58_180.8997m/z 180.8996844 0.58 9904.6297 8785.7848 9519.3474 9588.6167 9379.1938 9857.1237 0.58_196.8735m/z 196.8734592 0.58 8020.3417 6552.2300 7542.5560 7469.9842 7359.3371 7591.7828 0.58_198.8707m/z 198.8707153 0.58 1349.4825 1097.1781 1263.8190 1212.1760 1202.0409 1240.1317 0.58_212.8467m/z 212.8466862 0.58 2420.3620 1807.3839 2241.6910 2147.6661 2107.2093 2140.0366 0.58_214.8439m/z 214.843864 0.58 547.8253 391.1246 514.7591 451.2217 486.8896 448.8489 0.58_338.8033m/z 338.8033484 0.58 3767.1110 3633.0793 3764.2669 3803.7564 3677.5679 4053.6826 0.58_339.8336n 322.8303233 0.58 7661.3743 7005.6820 7558.2714 7248.1944 7443.3537 7640.0480 0.58_354.7775m/z 354.7774739 0.58 1384.5760 1165.3305 1320.1009 1278.4371 1219.3664 1333.5768 0.58_356.7747m/z 356.7746748 0.58 600.8834 449.2884 581.9302 506.3127 531.0991 509.3240 0.58_407.8192n 390.8159131 0.58 2406.1870 2109.3372 2363.1227 2325.7628 2403.3420 2426.7775 0.58_422.7687m/z 422.7686996 0.58 789.5639 736.8308 782.4122 788.3681 723.0291 794.7401 0.58_465.7950n 448.7917128 0.58 1932.3933 1874.6298 1961.5419 1922.5497 1975.9616 1988.0769 0.58_475.7979n 458.7945671 0.58 2966.4730 2711.7298 2982.5019 2936.0726 2871.8125 2980.2741 0.58_480.7388m/z 480.738848 0.58 1901.8074 1778.1323 1932.8647 1956.2248 1890.9329 1991.2270 0.58_481.7683n 464.765003 0.58 2933.8616 2894.2547 2940.5845 2917.9420 2971.2378 3045.0419 0.58_495.7068n 496.7140991 0.58 2173.8876 1864.5847 2128.0996 1991.5692 2022.3664 2071.6992 0.58_545.7599n 568.7468796 0.58 2185.6989 2035.7407 2139.1128 2073.2486 2092.9841 2163.9513 0.58_558.7309m/z 558.7309 0.58 2504.2146 2141.3419 2506.7574 2384.6613 2445.6856 2363.8720 0.58_561.7368n 584.7431797 0.58 4775.9960 4735.7007 4896.9873 4888.4650 4922.8545 4932.9579 0.58_564.7097m/z 564.7097038 0.58 1552.7555 1343.6244 1524.7795 1439.5249 1436.3072 1493.4084 0.58_570.6777m/z 570.6776684 0.58 1087.7044 985.5476 1088.6418 1076.2198 1080.3491 1062.4111 0.58_595.7255n 578.722224 0.58 3623.1457 3546.1200 3614.1604 3637.0749 3541.8130 3800.9410 0.58_638.6522m/z 638.6522161 0.58 1718.5772 1567.1612 1773.5500 1645.2885 1701.5112 1667.0712 0.58_638.7054n 661.6729004 0.58 1870.6635 1843.5187 1833.2201 1952.4240 1842.6310 1995.2540 0.59_164.9287m/z 164.9286839 0.59 5324.2499 3325.1907 5323.1627 3571.2439 5200.6193 3681.0490 0.59_205.1546m/z 205.1545712 0.59 699.7059 633.7656 713.7571 681.4807 675.3779 700.2491 0.59_282.8491m/z 282.8490666 0.59 1240.5552 963.2190 1151.7792 1097.5394 1163.4241 1079.6522 0.59_283.8781n 284.8804407 0.59 1945.7175 1751.2311 1997.6634 1811.4539 1874.5379 1872.7071 0.59_298.1869m/z 298.1868929 0.59 822.0815 773.5989 844.8434 846.6404 826.4577 831.5250 0.59_300.8550m/z 300.8549626 0.59 2639.4086 2292.0276 2561.5393 2332.8224 2476.9847 2474.4952 0.59_401.7756n 424.7768528 0.59 817.9575 729.4548 814.3402 759.4738 785.2837 766.5927 0.59_498.7114m/z 498.711388 0.59 711.9930 624.8984 687.5198 665.3939 666.6553 677.3771 0.59_537.7798n 538.7111832 0.59 1176.8585 887.5130 1184.8596 1036.9821 1126.3435 1075.6262 0.59_539.7399n 540.7180937 0.59 1773.5736 1856.6604 1787.8544 1898.5926 1716.5375 1954.5571 0.59_554.6905m/z 554.6904658 0.59 946.2655 703.5197 994.5662 752.4825 957.0551 841.4932 0.59_580.7052m/z 580.7051815 0.59 1293.7313 1249.3635 1276.3246 1323.6821 1301.0209 1366.7314 0.59_622.7297n 640.6564822 0.59 1734.3329 1401.7745 1784.3192 1501.0734 1732.8201 1519.5488 0.59_671.6490n 672.6253254 0.59 2915.4922 2140.7833 2928.7675 2341.8873 2838.6558 2393.5204 0.60_112.8966m/z 112.896554 0.60 4895.7515 4121.5153 4577.9249 4573.4839 4551.3742 4743.7509 0.60_114.8939m/z 114.8939151 0.60 2076.9161 1389.6836 2005.8301 1563.8878 1955.4819 1579.6361 0.60_189.1597m/z 189.159711 0.60 3795.0253 3650.9319 3841.9819 3825.6910 3985.1688 3975.7523 C9H17NO2 Gabapentin Gabapentin 42797 MEDIUM 0.60_201.8782n 224.8708203 0.60 376.7679 276.5326 380.7748 274.4121 359.7342 284.9189 0.60_222.8818m/z 222.88181 0.60 449.0557 347.6240 434.2884 361.5921 415.5382 363.2042 0.60_237.8509n 238.8581279 0.60 1509.1823 1300.9231 1394.8557 1417.0688 1392.2687 1453.5339 0.60_240.8532m/z 240.8532213 0.60 396.7550 288.0919 383.4371 300.5202 365.7878 308.3582 0.60_254.8298m/z 254.8298415 0.60 675.0595 498.0598 629.5195 558.7725 598.9593 552.8865 0.60_297.8138n 298.8210417 0.60 1876.0912 1364.7332 1670.1254 1472.6417 1597.7889 1521.0271 0.60_318.8037m/z 318.8036545 0.60 513.2504 327.2444 469.6468 359.0370 449.4313 397.7400 0.60_412.7393m/z 412.7393238 0.60 511.8962 357.2925 509.3271 415.6650 475.2843 404.8976 0.60_440.7533m/z 440.7533421 0.60 554.1021 471.0899 520.8329 495.2257 509.1866 528.1013 0.60_456.7254m/z 456.7254205 0.60 536.6707 345.8560 536.1174 394.8242 518.5999 388.4612 0.60_80.9484m/z 80.94837756 0.60 156.9237 113.6731 156.8077 128.1151 146.7136 127.0596 0.62_130.0867m/z 130.0867282 0.62 1074.3148 1038.9768 1124.9286 1049.0381 1125.5919 1110.8698 C6H11NO2 Nipecotic acid HIGH 0.62_177.0515n 200.0405548 0.62 1246.9174 1174.2198 1203.4993 1159.3188 1211.4342 1232.5694 0.62_193.0252n 216.0144921 0.62 1131.9640 996.8112 1129.3434 1065.5066 1122.9225 1112.7108 0.62_230.0297m/z 230.0296813 0.62 590.3529 560.2698 578.3129 574.0429 551.7269 610.9749 C13H10O5 Isopimpinellin Isopimpinellin 28853 MEDIUM 0.62_273.8262n 296.8183073 0.62 942.8349 678.5586 848.1565 743.3991 800.2433 778.1715 0.62_286.8218n 304.8325437 0.62 1386.0154 853.2323 1281.7390 928.4736 1207.5973 948.8338 0.62_314.7900m/z 314.7899867 0.62 434.2580 332.2368 421.5239 377.0819 379.4869 368.4334 0.62_395.7609n 396.7717505 0.62 1116.8051 539.8064 1074.0436 582.1133 997.9849 586.1511 0.62_495.7456m/z 495.7456458 0.62 121.1790 109.7096 111.2538 127.4932 109.9179 110.7326 0.62_84.0811m/z 84.08110136 0.62 209.1120 189.8663 233.7852 198.4112 223.3775 211.1637 C5H9N tert-Butyl isocyanide MEDIUM 0.62_96.9224m/z 96.92239283 0.62 435.3330 334.0550 428.2361 359.8101 420.8853 372.6244 0.63_110.0718m/z 110.0718204 0.63 1052.9701 1104.9153 1156.1754 1125.1304 1124.7752 1158.4111 0.63_114.0795n 97.07618429 0.63 220.7278 261.0777 240.1442 236.7589 258.1951 232.1115 0.63_124.0870m/z 124.0870381 0.63 1497.4420 1614.4986 1634.2547 1566.9090 1590.9084 1643.0135 C6H11N3O L-Histidinol L-Histidinol HMDB03431 HIGH 0.63_126.1028m/z 126.102773 0.63 618.0692 676.1168 650.7538 652.2706 649.0257 646.0642 C6H8N2 Adiponitrile MEDIUM 0.63_156.0767m/z 156.0767279 0.63 1185.4888 1200.7386 1257.2864 1182.2323 1209.0738 1278.1513 C6H6N2O2 Nicotinamide N-oxide Nicotinamide N-oxide HMDB02730 HIGH 0.63_169.0855n 170.0928109 0.63 12499.8674 13523.7196 13338.7172 13052.0921 13367.5424 13829.3129 C7H11N3O2 3-Methylhistidine 3-Methylhistidine HMDB00479 HIGH 0.63_169.9861m/z 169.9860812 0.63 553.3557 475.2303 546.4507 485.0406 518.7445 518.6831 0.63_174.1366n 175.1438994 0.63 512.9481 525.9833 504.8175 481.6207 506.2651 535.3825 0.63_185.9597m/z 185.9597272 0.63 532.5207 410.5200 528.8231 474.6188 481.8073 460.8004 0.63_241.1246m/z 241.1245517 0.63 1182.5561 1337.7570 1244.6036 1274.2875 1187.5850 1284.3359 0.63_260.0726m/z 260.0726066 0.63 659.5798 749.9962 660.5515 768.7977 663.8456 791.8993 0.63_275.0381n 298.0291787 0.63 275.5470 283.2733 274.4208 275.1656 298.0569 254.0478 0.63_331.1452m/z 331.1452046 0.63 279.6776 294.4090 273.7081 248.3708 296.6285 240.1685 0.64_137.0709m/z 137.0709207 0.64 2315.2218 2447.0538 2377.5019 2418.8831 2309.7596 2522.5196 C7H5NO Phenyl isocyanate 53806 MEDIUM 0.64_142.9475m/z 142.9475406 0.64 756.7038 637.6718 728.1380 696.5770 693.4128 714.9183 0.64_174.8954m/z 174.8953742 0.64 270.5898 262.0335 303.6388 295.8499 288.1874 272.0709 0.64_185.0190n 203.0528101 0.64 11804.9505 11485.5250 11891.2377 11776.5140 11646.7373 12271.4793 0.64_230.0512n 213.0479454 0.64 832.2778 668.8879 898.1902 654.9805 806.0275 661.8505 0.64_264.0881m/z 264.0881196 0.64 77.5370 136.4247 61.1404 101.1299 71.6322 122.4752 0.64_290.1448m/z 290.1448218 0.64 258.6871 241.4467 256.0173 260.2279 251.9135 268.1060 0.64_316.8302m/z 316.8302237 0.64 672.2029 489.6900 633.5514 543.7986 571.9736 589.3478 0.64_358.8186m/z 358.8186438 0.64 420.9416 332.4613 416.6089 381.3399 417.5748 386.9628 0.64_386.8838n 387.8910397 0.64 833.8804 768.0469 799.0045 766.8186 668.7897 789.7349 0.64_408.9099m/z 408.9099119 0.64 141.7509 117.5896 143.2238 90.1975 144.8408 140.3581 0.64_463.8240m/z 463.8240347 0.64 166.5724 116.8579 151.7166 152.1469 151.3001 160.4621 0.64_566.9270m/z 566.9269697 0.64 448.3032 404.1342 425.1001 443.8244 407.7710 449.3663 0.64_604.8441m/z 604.8441174 0.64 222.7038 237.9603 251.9834 213.4843 221.1228 233.6640 0.64_779.9733m/z 779.9733405 0.64 3396.2911 2834.0078 3290.5468 2958.5931 3034.5616 2860.7769 0.65_103.0395m/z 103.03952 0.65 273.6044 281.3449 268.0638 270.8449 247.0694 274.1929 C5H4N4 Purine Purine HMDB01366 MEDIUM 0.65_144.9882m/z 144.9881607 0.65 425.5415 370.8215 431.4755 378.7850 382.4229 385.9980 0.65_158.9212m/z 158.9211759 0.65 253.4869 202.8208 251.0161 233.8991 211.3467 233.1112 C4H4CoO4 Cobalt(II) succinate MEDIUM 0.65_162.1129m/z 162.1129196 0.65 7515.1676 7694.0262 7876.7161 7544.0550 7622.5616 7826.8710 C7H15NO3 L-Carnitine Carnitine 16347 MEDIUM 0.65_175.0651m/z 175.0651493 0.65 854.3712 842.5170 802.7672 913.9408 828.4611 926.3280 0.65_218.0393n 219.046561 0.65 10603.8168 8714.1273 10314.9177 9261.0530 10099.5682 9432.8098 0.65_257.0030m/z 257.0029674 0.65 3006.8512 2669.6908 2890.1359 2908.6875 2845.2543 2953.4203 0.65_272.9774m/z 272.9774083 0.65 896.2043 814.9211 879.2016 900.0673 776.4492 882.5273 0.65_314.9622m/z 314.9622005 0.65 355.7074 291.2657 312.4485 358.9060 299.9144 293.4756 0.65_359.9784n 360.9857203 0.65 1936.6909 1759.5665 1864.0931 1793.4572 1875.5541 1888.3571 0.65_414.9132m/z 414.9131766 0.65 879.5439 819.4663 841.3477 867.9061 758.2198 883.6168 0.65_430.8858m/z 430.885777 0.65 577.0856 534.4717 518.6187 505.3787 494.5816 521.7117 0.65_456.8999m/z 456.8998554 0.65 354.7748 285.2157 314.5828 274.1605 256.8331 300.5891 0.65_472.8747m/z 472.8747384 0.65 399.9922 364.9324 379.6215 360.9452 340.1692 388.4909 0.65_495.9122n 496.9195049 0.65 1371.6835 1318.2330 1355.5995 1349.4760 1228.3063 1298.0034 0.65_511.8874n 534.8705945 0.65 1371.2502 1152.2608 1304.2359 1234.7050 1221.7080 1279.9287 0.65_514.8721m/z 514.872063 0.65 433.4568 436.1159 420.7033 487.4895 454.5725 479.7665 0.65_549.8372n 550.8444989 0.65 1109.7052 1047.1903 1054.0604 1152.7605 1033.4708 1109.9062 0.65_60.0813m/z 60.08132762 0.65 97.0317 84.1944 84.4277 77.1174 105.2032 84.5949 C3H9N Trimethylamine Trimethylamine 18139 MEDIUM 0.65_691.9773m/z 691.9772814 0.65 504.7930 431.4869 484.5684 443.0506 496.3878 496.5173 0.65_714.9712m/z 714.9712377 0.65 946.1234 792.1241 881.7564 803.5883 874.2397 797.1341 0.65_720.9898m/z 720.9898098 0.65 537.8166 418.9853 479.2016 420.5606 427.0880 455.2369 0.65_747.9669m/z 747.9668519 0.65 2420.1310 2263.5170 2433.6440 2178.6013 2205.3505 2106.4339 0.65_869.9764n 853.0468954 0.65 5720.5913 5034.8425 5532.9120 5248.6473 5163.5879 5132.7424 0.65_887.0458m/z 887.0458344 0.65 3199.2695 2738.1189 3143.0743 2828.3158 2944.4885 2875.1873 0.65_900.0110m/z 900.0109605 0.65 1825.2917 1614.0558 1817.5721 1691.5276 1753.8100 1713.2917 0.65_911.0008m/z 911.0008146 0.65 3869.2806 3258.4765 3738.7267 3422.0581 3367.3203 3480.2277 0.65_946.8919n 969.9237704 0.65 2410.8557 2271.0145 2341.7418 2237.1105 2310.8101 2410.5604 0.65_983.9155m/z 983.9154579 0.65 1902.7522 1907.1115 1917.0504 1931.8958 1672.9742 1802.1350 0.66_118.0867m/z 118.0866656 0.66 3957.6387 3556.9170 3815.1597 3718.2477 3745.9252 3829.9620 C5H11NO2 5-Aminopentanoic acid 5-Aminopentanoic acid HMDB03355 HIGH 0.66_160.9611m/z 160.9610525 0.66 198.4089 190.1437 207.6500 198.5945 191.9557 179.3234 0.66_375.9530n 376.9602771 0.66 2800.2097 2587.8863 2715.1725 2641.4358 2590.7153 2760.0760 0.66_533.0011m/z 533.0011362 0.66 1468.4740 1288.0947 1414.3905 1399.9500 1414.1937 1405.0449 0.66_579.0203m/z 579.0202695 0.66 913.3773 829.1536 919.1634 855.5193 851.1285 864.0291 0.66_610.9821m/z 610.9820878 0.66 1335.7930 1124.5140 1270.6930 1171.3425 1213.6732 1169.1772 0.66_616.9852m/z 616.9852312 0.66 639.6517 494.0381 620.2251 546.2426 586.5907 537.8070 0.66_729.9652n 730.9724558 0.66 1900.3886 1449.9566 1769.8993 1622.1033 1727.3816 1590.8328 0.67_113.0596n 114.0668695 0.67 44801.5127 43847.1264 44896.2776 44704.5105 44523.4614 45124.1483 C4H7N3O Creatinine Creatinine HMDB00562 MEDIUM 0.67_152.0223m/z 152.0223415 0.67 2783.3964 2139.1322 2537.8287 2573.9848 2478.7109 2545.0841 C4H4FN3O Flucytosine Flucytosine 5100 MEDIUM 0.67_227.1242m/z 227.1242356 0.67 2039.7431 1793.2192 1973.0365 1912.7984 1897.5284 1950.8945 0.67_262.9026m/z 262.9025983 0.67 507.0290 375.0001 481.7322 414.5761 435.6318 410.5470 0.67_265.0809m/z 265.0809223 0.67 2765.0435 2207.6196 2615.0412 2546.5613 2532.5408 2536.4582 0.67_607.9281m/z 607.9281076 0.67 935.9038 690.4241 863.5720 761.7623 817.4047 799.7885 0.67_850.9835m/z 850.9834726 0.67 1361.1549 1194.3821 1334.9293 1323.4853 1279.0762 1307.1225 0.67_86.0694m/z 86.06939406 0.67 521.6634 475.1065 537.5412 490.6690 506.0054 474.5711 C5H12NO+ Betaine aldehyde Betaine aldehyde HMDB01252 MEDIUM 0.68_160.0970m/z 160.0970169 0.68 4315.7917 3939.6913 4241.9384 4126.3916 4260.0964 4228.3140 0.68_205.0073m/z 205.0073292 0.68 180.7876 127.0035 169.2373 122.1424 152.8047 138.6830 0.68_990.0613m/z 990.0613345 0.68 2824.1800 2431.4194 2650.7787 2559.8941 2535.0385 2487.3100 0.69_129.0660m/z 129.0659547 0.69 1188.4961 1115.6200 1145.4808 1208.8056 1104.0255 1205.9961 C5H10N2O3 Alanylglycine HMDB06899 MEDIUM 0.69_131.0694n 132.0766687 0.69 35032.6668 33823.6397 35255.1846 35071.5840 34770.3370 35421.7894 C4H9N3O2 Creatine Creatine 16919 MEDIUM 0.69_169.0254n 170.0326878 0.69 2662.2360 2279.9128 2497.2176 2583.9053 2419.8349 2531.0535 0.69_274.0134m/z 274.013387 0.69 550.8621 403.0618 463.7390 414.0578 497.8134 399.2864 0.69_311.9686m/z 311.9686134 0.69 294.2636 222.6016 267.2244 304.1450 287.5730 288.9376 0.69_529.9987m/z 529.9987058 0.69 824.6514 723.7961 754.4893 802.1440 759.0911 786.9616 0.69_556.9852m/z 556.9851632 0.69 455.0870 373.5031 429.8817 411.7462 403.0774 387.4731 0.69_725.0601m/z 725.0600982 0.69 2005.4410 1785.2892 1969.9310 1820.8312 1814.1261 1815.7668 0.69_759.0789m/z 759.0789096 0.69 1461.4869 1355.1897 1441.8135 1326.5274 1384.9145 1268.0296 0.69_83.0606m/z 83.06064136 0.69 531.6808 533.8047 544.1748 538.7543 501.3030 576.9497 C4H8N2O Gyromitrin 5583 MEDIUM 0.69_857.0969m/z 857.0969129 0.69 1476.6742 1354.7409 1478.5592 1355.7759 1398.0844 1353.0037 0.69_90.0553m/z 90.05526224 0.69 7303.8397 7091.7184 7471.4969 7376.9139 7256.7829 7482.4808 C3H7NO2 Ethyl carbamate 17967 MEDIUM 0.69_906.1088m/z 906.1087566 0.69 1110.3268 920.4878 1120.0266 967.7326 1050.3985 914.1010 0.69_916.0127m/z 916.0126779 0.69 6715.3208 5987.0873 6557.6205 5969.0597 6121.7735 5880.4955 0.69_942.0866n 943.0623118 0.69 7481.9336 6633.1183 7477.8627 6957.2664 7110.7232 6803.8073 0.69_953.0280n 976.0367287 0.69 7558.8485 7047.5636 7868.1764 7194.5284 7114.0949 6833.5991 0.69_953.0934m/z 953.0933923 0.69 3942.7059 3368.8236 3837.6402 3408.9168 3440.2648 3425.8641 0.69_961.0639m/z 961.0639014 0.69 5767.5740 5163.7028 5777.6054 5054.5299 5290.3877 5130.9367 0.69_964.0969n 982.1306988 0.69 2242.3916 1967.3703 2313.3893 1893.9262 2057.5429 1924.0937 0.69_971.0904n 994.1136287 0.69 3295.9657 2720.2029 3219.0163 2848.7981 2837.5045 2819.3731 0.70_137.0486n 138.0558317 0.70 49238.3759 46741.2841 48699.3340 48581.6942 48132.7581 49303.1509 C7H7NO2 2-Aminobenzoic acid 2-Aminobenzoic acid 30754 HIGH 0.70_157.0607m/z 157.0606556 0.70 1202.5584 1152.8765 1146.4337 1203.9863 1150.0941 1219.4652 C6H5NO3 3-Hydroxypicolinic acid HMDB13188 HIGH 0.70_176.0108m/z 176.0108209 0.70 651.8697 501.2122 629.0001 555.9859 573.6005 546.7102 0.70_263.1451m/z 263.1450671 0.70 361.1907 327.9556 343.1123 319.6607 323.6051 339.9960 0.70_452.0371m/z 452.0371245 0.70 481.2352 696.8645 401.4436 740.2678 461.0660 730.7996 0.70_527.9673m/z 527.9672642 0.70 631.2727 501.8591 553.8656 481.0600 487.9145 541.5271 0.70_819.0349n 842.0593218 0.70 4827.1791 3998.1984 4695.6106 4227.4725 4540.1170 4191.4826 0.70_87.0542m/z 87.05417717 0.70 302.9496 291.0431 297.7014 303.8667 305.1686 318.5442 0.70_880.0988n 881.1061011 0.70 3590.5090 3226.3621 3632.9597 3184.1550 3334.6646 3069.7946 0.70_94.0655m/z 94.06545661 0.70 2294.8760 2239.2391 2256.5064 2266.7981 2206.9684 2323.3515 0.70_950.1091m/z 950.1091373 0.70 1618.9211 1362.3343 1560.7945 1364.6987 1536.8062 1379.9360 0.71_116.0709m/z 116.0709255 0.71 719.5133 766.2664 725.1813 751.4052 697.5310 757.0621 C5H9NO2 L-Proline Proline HMDB00162 MEDIUM 0.71_157.0890n 141.0664692 0.71 16039.5893 15825.1025 16179.8270 16214.9609 15950.1267 16396.8547 0.71_203.1502m/z 203.1501717 0.71 15999.5062 16459.5674 16252.0848 16423.4504 16314.6485 16766.3013 C8H18N4O2 Asymmetric dimethylarginine Dimethylarginine 17929 HIGH 0.71_229.1287m/z 229.128707 0.71 2481.3158 3273.2480 2432.2546 3209.4275 2454.2170 3279.9808 C9H13N3O3 Zalcitabine Zalcitabine 10101 MEDIUM 0.71_302.1293m/z 302.1292935 0.71 2091.6908 1991.0045 2042.6616 2095.3869 2002.5930 2064.8592 0.71_332.0940m/z 332.0940364 0.71 4272.3434 3960.5612 4157.9558 4187.4060 4120.6585 4169.9399 0.71_348.0681m/z 348.0681314 0.71 798.6964 712.8259 766.8086 780.2101 724.7027 787.4970 C10H14N5O7P 3'-AMP HMDB03540 HIGH 0.71_354.0789m/z 354.0788526 0.71 916.4904 874.4921 897.6758 919.9286 893.2521 949.4693 0.71_419.0252m/z 419.0252439 0.71 201.8966 163.0848 216.2043 190.4481 188.1178 180.0119 0.71_474.0323m/z 474.0323352 0.71 908.5333 841.7135 864.4333 862.2061 827.3005 888.3793 0.71_631.9723m/z 631.9723162 0.71 978.8334 772.2424 919.6104 802.4257 843.0628 826.6777 0.72_116.1071m/z 116.1071236 0.72 934.4985 853.3724 885.0299 908.8568 845.0655 954.1193 C6H10O 2-Hexenal MEDIUM 0.72_179.1276m/z 179.1275545 0.72 115.3558 95.9257 102.6827 93.2885 107.0521 82.4529 0.72_200.0452m/z 200.0451842 0.72 194.9980 144.7900 179.4650 150.9915 197.4570 167.8856 0.72_537.0053m/z 537.0053107 0.72 480.1098 454.6462 477.3980 485.1480 456.3529 453.3613 0.72_98.0608m/z 98.06075832 0.72 224.8479 206.3118 245.9055 192.0074 239.7817 191.6129 C5H9NO2 D-Proline Proline HMDB03411 MEDIUM 0.73_186.0641n 187.0586235 0.73 1473.0594 1591.2683 1360.5103 1607.0924 1375.0899 1705.0724 0.73_214.0506n 215.0578756 0.73 1167.8894 1177.3870 1140.7105 1238.6126 1115.2168 1275.2637 0.73_245.1340m/z 245.1340129 0.73 433.1254 313.4884 409.8343 294.7773 365.2445 346.9772 0.73_277.0568n 260.053519 0.73 910.7717 912.7271 894.9351 930.5533 886.2973 921.3513 0.73_496.0282m/z 496.028169 0.73 234.7613 207.5776 235.1695 226.8985 201.5712 200.2509 0.73_860.2953m/z 860.295302 0.73 1422.2943 1508.5223 1390.5891 1375.1450 1355.3026 1386.9076 0.73_934.0387m/z 934.0386924 0.73 1356.3901 1216.9521 1335.4948 1184.3957 1193.4946 1212.1439 0.74_125.0711m/z 125.0710982 0.74 1539.2811 1549.8142 1559.9272 1574.5656 1539.4309 1625.4143 0.74_127.0862m/z 127.0861833 0.74 417.6591 441.3071 445.5420 463.7389 448.4864 478.9799 C6H7NO 4-Aminophenol 4-Aminophenol HMDB01169 MEDIUM 0.74_143.0809m/z 143.0808935 0.74 1409.2844 1315.7057 1361.4153 1335.1535 1329.1782 1348.0574 C6H12N2O3 D-Alanyl-D-alanine HMDB03459 MEDIUM 0.74_171.0766m/z 171.0766049 0.74 10240.2991 10304.2010 10542.4630 10258.5418 10458.8233 10594.9874 0.74_304.1146m/z 304.1146224 0.74 521.5711 542.1547 506.6964 537.1915 517.5421 586.0992 0.74_417.1963m/z 417.1962991 0.74 930.4798 1020.1602 999.1326 951.6996 949.9733 1009.3702 0.74_439.1192m/z 439.1192476 0.74 2244.5636 2335.3211 2216.6645 2213.2718 2116.4577 2148.8643 0.74_471.0263m/z 471.0262954 0.74 486.1312 460.2552 400.1200 474.5787 420.6457 502.0287 0.74_656.1987m/z 656.1987499 0.74 12192.3424 12221.0982 12550.3238 12067.9450 12149.2164 12353.4103 0.74_672.1712m/z 672.1712488 0.74 3240.8006 2940.1350 3133.2267 3025.5110 3083.8606 3113.5534 0.74_694.1401m/z 694.1401163 0.74 2796.1279 2592.3306 2855.0521 2709.4324 2739.2303 2655.4499 0.74_747.2702m/z 747.2702156 0.74 1061.7992 1165.9543 1057.8516 979.2702 1106.4817 1076.6438 0.74_775.1360n 776.1433027 0.74 1206.1836 1071.5256 1157.2553 1105.2047 1074.9384 1109.9308 0.74_792.1071m/z 792.1070859 0.74 1818.1168 1535.5424 1732.3206 1669.6324 1637.7045 1680.2935 0.74_830.0620m/z 830.0619853 0.74 1620.2981 1422.2597 1569.5102 1464.9435 1511.1994 1449.9414 0.74_88.0873m/z 88.08731207 0.74 541.1280 488.3812 550.5838 501.3295 534.1640 519.7851 C3H6N2 Beta-Aminopropionitrile 27413 MEDIUM 0.74_892.2811m/z 892.281094 0.74 1107.7676 1226.4118 1115.8199 1229.4019 1177.5084 1173.1774 0.74_908.2296m/z 908.2295514 0.74 722.0783 702.8703 695.1744 683.0074 627.6575 686.4453 0.74_996.1793m/z 996.1793481 0.74 537.6352 486.1345 585.3650 459.9663 567.2269 489.6481 0.75_113.0820m/z 113.082015 0.75 583.4220 490.6603 600.9029 476.5416 582.9738 494.6596 0.75_130.1088m/z 130.1088388 0.75 18365.9125 17160.3270 18178.9574 17603.5739 18089.7501 18051.9525 C4H11N5 "1,1-Dimethylbiguanide" 6801 HIGH 0.75_144.2005m/z 144.2005411 0.75 5528.4998 5286.8740 5585.4259 5273.2008 5318.1226 5381.4944 0.75_166.0841m/z 166.0841252 0.75 947.5332 895.5183 961.1728 918.6827 906.7578 971.5315 C9H14N2O2 1-(Cyclopropylmethyl)-2-(nitromethylidene)pyrrolidine MEDIUM 0.75_219.1696m/z 219.1696185 0.75 220.4332 180.3121 230.9465 181.4404 207.8135 204.4463 0.75_273.2025m/z 273.2024564 0.75 1908.0364 1754.1889 1909.8722 1846.4732 1868.3884 1936.8904 0.75_353.0670m/z 353.0669786 0.75 198.4617 219.2275 183.8600 219.8654 153.8163 215.9211 0.75_406.1293m/z 406.1293045 0.75 2887.5132 2792.2936 2899.3088 2844.5881 2841.2770 2813.4990 0.75_422.1047m/z 422.104706 0.75 1099.7008 1010.3929 1101.2100 1059.9647 1012.7859 1064.0482 0.75_453.1236m/z 453.1235942 0.75 5800.5216 5537.6380 5838.8213 5594.2347 5579.7391 5657.0474 0.75_485.0609m/z 485.0608977 0.75 2167.4212 1917.7117 2053.3030 2057.2281 1988.6351 2021.8302 0.75_501.0327m/z 501.0326749 0.75 1412.8428 1299.5086 1363.1281 1374.8672 1296.8496 1358.5781 0.75_60.0563m/z 60.05629403 0.75 375.9608 390.2867 403.0743 401.4046 384.2079 410.5060 0.75_730.2313m/z 730.231267 0.75 2028.8352 2062.1927 2120.5691 2058.0487 1979.5409 2012.1935 0.75_827.1404m/z 827.1404152 0.75 865.0533 867.1076 876.7756 792.7082 792.6123 799.5541 0.76_144.1026m/z 144.1025712 0.76 199937.7629 189719.1622 200943.1708 198676.3870 199859.4778 206549.3124 C7H15NO3 L-Carnitine Carnitine 16347 HIGH 0.76_144.2321m/z 144.2321262 0.76 1414.0878 726.4922 1325.6727 740.7551 1145.0015 573.9156 0.76_144.4294m/z 144.4293748 0.76 1337.0136 1268.6657 1380.2610 1249.9482 1262.1744 1325.9380 0.76_180.0754m/z 180.0754493 0.76 635.1958 604.2186 638.8618 647.6509 630.6127 653.7340 0.76_206.1263n 229.1184349 0.76 27551.5903 28687.3535 28406.0488 29614.0742 28785.8275 30319.2647 0.76_238.0377m/z 238.0377053 0.76 1514.4173 1413.4734 1504.5803 1430.3743 1451.1551 1474.4226 0.76_243.0969m/z 243.0968607 0.76 5619.1019 5507.7487 5682.6766 5516.0827 5554.2824 5709.6165 0.76_287.1956m/z 287.1955557 0.76 1762.8632 1523.7369 1729.0342 1664.5904 1702.8147 1693.5384 C15H19N5 Rizatriptan 48273 MEDIUM 0.76_338.0852m/z 338.0851807 0.76 2087.0765 2027.6703 2084.1693 2058.2321 2078.6564 2080.8393 0.76_359.1509m/z 359.1508864 0.76 381.4703 370.0279 347.1549 375.7876 332.9058 385.9661 0.76_381.1269n 365.1043207 0.76 23191.2025 22630.3065 23665.5778 23063.1735 22822.3711 23583.4123 0.76_427.1668n 450.1557003 0.76 1213.7014 1246.1638 1204.1952 1215.3523 1179.9083 1261.8608 0.76_589.1460m/z 589.1460463 0.76 1297.7195 1272.4904 1307.8466 1302.1759 1312.5047 1351.6603 0.76_627.0951m/z 627.0951454 0.76 913.7793 836.3339 974.5265 841.6076 865.4653 863.3187 0.76_838.2946m/z 838.2946455 0.76 374.3866 387.7697 333.3608 385.8576 359.5346 355.3181 0.76_84.0811m/z 84.08110977 0.76 1062.3451 1064.3735 1082.8444 1084.0882 1069.2499 1099.3603 C5H9N tert-Butyl isocyanide MEDIUM 0.76_871.1637m/z 871.1637483 0.76 919.7918 838.3392 933.8488 740.5730 878.5258 779.2797 0.76_876.2741m/z 876.2740566 0.76 754.8911 810.4730 785.6224 841.0961 716.6868 737.3685 0.76_949.1709m/z 949.1709393 0.76 208.5825 210.6000 215.3388 189.6794 193.2598 162.0212 0.77_1015.2039n 998.2006414 0.77 459.7065 415.5266 466.7983 417.4754 458.4491 328.1069 0.77_142.1226m/z 142.122577 0.77 123.9353 100.8718 97.2238 120.7110 114.3921 125.5647 C8H15NO Tropine MEDIUM 0.77_176.1027m/z 176.1026632 0.77 5878.2065 5918.1936 6054.9020 5760.2252 5928.8036 5944.6729 0.77_189.0751m/z 189.0751024 0.77 816.5079 799.7903 836.8287 824.6170 788.6583 822.8567 0.77_206.1006m/z 206.1006277 0.77 1161.7892 1133.0056 1178.5208 1143.0690 1159.6104 1090.2491 0.77_218.1043m/z 218.1042851 0.77 366.1458 317.5016 423.0767 354.7279 390.7789 329.8625 C10H11N5O Pymetrozine Pymetrozine 39311 MEDIUM 0.77_231.1696m/z 231.1696358 0.77 257.0307 264.4639 223.9399 293.4233 290.3396 299.5762 0.77_248.1117m/z 248.1117101 0.77 1723.7989 1844.6401 1829.2428 1839.4204 1839.7894 1795.4278 0.77_314.0846m/z 314.0846098 0.77 5784.5320 5744.4184 5843.8388 5877.5256 5746.6560 5960.4863 0.77_330.0583m/z 330.0583014 0.77 973.9017 1022.7677 1004.4128 1044.2611 948.9545 1103.0888 0.77_689.2087m/z 689.2087498 0.77 2083.3767 2147.1036 2042.4525 2227.6891 2088.6470 2290.2469 0.77_70.0655m/z 70.06550706 0.77 1228.7432 1293.0838 1284.6851 1313.5609 1247.1631 1381.2393 0.77_844.2884n 867.1609171 0.77 1010.1136 1011.7061 1020.9858 911.7234 998.3223 906.7725 0.77_940.1294m/z 940.1294408 0.77 477.7887 367.6040 476.0762 388.6114 486.2978 292.9635 0.77_973.1723n 957.1496767 0.77 1040.5948 868.4846 1089.1416 828.5678 948.0693 893.3375 0.77_992.1672m/z 992.1671786 0.77 383.2750 350.6789 371.6188 367.6003 341.7070 325.8181 0.78_300.0592m/z 300.0591808 0.78 658.6909 620.6724 643.7804 664.3123 633.0319 662.1251 0.78_420.1071m/z 420.107144 0.78 3380.8319 3328.8098 3452.6614 3369.1746 3291.8899 3333.3357 0.78_896.1190m/z 896.1190146 0.78 438.4981 425.8237 543.3795 405.6116 457.9240 383.9992 0.79_120.0656m/z 120.0655863 0.79 861.4203 837.8075 872.7196 875.8782 850.0232 889.1304 C4H9NO3 L-Homoserine Homoserine HMDB00719 MEDIUM 0.79_262.0986m/z 262.0986382 0.79 2446.9006 2445.0205 2498.1870 2534.3391 2457.1413 2526.1548 0.81_215.0161m/z 215.0161251 0.81 3623.4540 3337.5543 3509.2868 3646.5042 3541.8703 3545.2957 C6H8O7 Citric acid Citric acid HMDB00094 MEDIUM 0.81_235.0180m/z 235.0179865 0.81 319.3512 280.7748 291.0057 307.2781 308.5740 327.5892 0.81_427.0419m/z 427.0418905 0.81 1534.6486 1345.3016 1486.4015 1434.7682 1422.9923 1387.5975 0.81_579.0845m/z 579.0845243 0.81 1403.8473 1325.1575 1476.4525 1358.4091 1410.4531 1336.7567 0.82_152.9674m/z 152.9674213 0.82 471.1572 499.8979 463.2110 498.3847 464.5621 504.4645 0.82_241.0074n 242.0147071 0.82 6342.5458 6418.8173 6472.7194 6753.4594 6379.1494 6881.2168 0.82_414.0647m/z 414.0646946 0.82 654.6313 648.8968 655.6354 655.5370 650.6828 646.6102 0.84_186.1125m/z 186.112535 0.84 7611.7357 8118.2205 8132.0886 7873.2426 7917.2817 8108.6460 C14H18O 2-Pentyl-3-phenyl-2-propenal MEDIUM 0.84_274.0934m/z 274.0934281 0.84 7293.2864 7118.7101 7336.4111 7172.7276 7286.4242 7213.1165 0.85_199.1208n 200.1284403 0.85 87419.2562 88813.5818 89631.9506 89308.4149 87860.0644 90610.8600 0.85_202.0817m/z 202.0816543 0.85 1342.1518 1223.2239 1332.3365 1199.5110 1280.8885 1300.0204 C12H14N2O2 (2Z)-1-Benzyl-2-(nitromethylidene)pyrrolidine MEDIUM 0.85_502.6460m/z 502.6459829 0.85 206.6060 187.6078 204.5979 216.7996 197.3855 187.5141 0.85_589.1460m/z 589.1460331 0.85 1893.2349 1814.2430 1919.8378 1735.0424 1875.0240 1725.4430 0.85_788.2674m/z 788.2674136 0.85 1348.7379 1511.1300 1438.5294 1432.5047 1383.5575 1381.0762 0.85_966.3370m/z 966.3369952 0.85 691.0678 886.3292 768.5851 693.4076 732.0155 708.8199 0.85_988.3179m/z 988.3179415 0.85 1526.3811 1966.1422 1804.3642 1742.5021 1762.5752 1662.2781 0.86_185.0424m/z 185.0423603 0.86 4046.5090 3856.2086 3943.2830 4166.2967 4027.6371 4020.3270 C6H10O5 Levoglucosan Glucosan HMDB00640 MEDIUM 0.86_292.1029m/z 292.1029463 0.86 864.3222 920.6937 878.6672 876.8032 887.6572 872.9668 0.86_298.9818m/z 298.981806 0.86 487.4642 325.5012 432.5897 388.5630 439.8460 376.9695 0.86_357.6006m/z 357.6006377 0.86 245.2079 248.4414 251.7773 287.9863 238.9366 257.1680 0.86_384.1476m/z 384.1475966 0.86 2039.8753 2028.2984 2127.0673 1997.9530 2064.9872 2058.5737 0.86_674.2360n 697.2252697 0.86 21852.2590 24471.0505 23580.1108 23506.9334 23254.0468 23289.2239 0.86_677.2487m/z 677.2487397 0.86 639.5338 718.3616 672.4156 634.7643 659.3986 669.2424 0.86_713.1959m/z 713.1959358 0.86 3736.2567 3965.5720 3944.3872 3923.3797 3897.9450 3805.8548 0.86_719.1739m/z 719.1739449 0.86 1578.5890 1533.9398 1629.3659 1645.8644 1594.9364 1612.4867 0.86_811.1202m/z 811.1201903 0.86 3139.1611 2834.5279 3188.3349 2812.2988 2987.0299 2715.7823 0.86_817.1719m/z 817.1718956 0.86 1450.3742 1435.0610 1447.8995 1408.1422 1432.5761 1387.5486 0.86_833.1316m/z 833.1316293 0.86 3319.1862 3039.2982 3258.0360 3090.4756 3120.0263 2982.3581 0.87_168.0625m/z 168.062494 0.87 1995.0938 1965.4124 1970.8220 2031.2568 1951.4566 2072.8495 0.87_201.0074m/z 201.0073711 0.87 279.6324 231.3886 275.9115 233.7305 278.5252 265.9330 0.87_247.0117m/z 247.0116744 0.87 672.0075 483.2512 576.9098 582.0429 598.1710 574.7314 0.87_259.0914m/z 259.091372 0.87 6686.6752 6700.4236 6891.3759 6800.7532 6823.9008 6789.1481 0.87_903.3518m/z 903.3518482 0.87 327.6231 475.0075 444.4389 390.7711 409.3178 394.8866 0.87_951.3266m/z 951.3266263 0.87 328.0011 506.4981 455.9256 394.2585 422.3935 368.0836 0.88_138.0915m/z 138.0914769 0.88 555.4181 547.3064 586.7147 540.7665 548.2203 572.7417 0.88_142.1228m/z 142.1227515 0.88 4045.0620 5911.6870 3471.2685 5573.1171 3728.5741 6081.2455 0.88_169.1336m/z 169.1335607 0.88 462.8757 477.5268 508.3619 482.0945 456.5096 446.2911 0.88_229.1182m/z 229.1182425 0.88 43286.3725 42869.8821 44829.3946 42145.8215 44618.4336 43497.3118 C10H13NO4 Methyldopa Methyldopa 61058 MEDIUM 0.88_248.1111m/z 248.1110698 0.88 2411.0925 2302.4155 2438.3910 2335.0661 2453.8124 2318.6194 0.88_262.1025m/z 262.1025318 0.88 1331.9990 1270.5475 1369.5660 1243.8382 1339.7102 1266.1480 0.88_277.0917m/z 277.0916539 0.88 5689.0100 6040.8529 6031.5388 6162.0086 6021.4496 6123.3306 C11H16O8 Ranunculin MEDIUM 0.88_347.0922m/z 347.0921509 0.88 797.5832 842.5456 760.2991 863.3765 757.1856 855.7166 0.88_353.1327m/z 353.1327141 0.88 2409.4188 2495.6158 2576.9154 2364.2748 2491.1671 2459.7090 0.88_505.2015m/z 505.2015263 0.88 592.2882 676.9363 664.4825 645.6562 644.6170 676.3909 0.88_542.0968m/z 542.0968001 0.88 889.8335 827.7206 860.6628 853.4861 818.0503 845.9463 0.88_70.0655m/z 70.06546722 0.88 1531.2031 1508.7809 1628.2180 1524.6459 1623.0510 1582.8709 C4H7N Butyronitrile 51937 MEDIUM 0.89_110.0633m/z 110.0632698 0.89 4159.5913 4132.3605 4230.7983 4224.6875 4203.9092 4292.9978 0.89_246.0421m/z 246.0421389 0.89 219.2806 198.9244 237.4596 236.2572 214.8356 220.1765 0.89_367.1388m/z 367.1388462 0.89 397.7346 447.5072 449.5417 383.6117 423.4563 425.1551 0.90_146.0270m/z 146.0270467 0.90 629.1050 638.4837 604.7381 673.3099 605.3054 689.0544 0.90_150.0785m/z 150.078494 0.90 3216.4093 3623.2970 3402.1361 3426.7352 3367.4780 3594.9565 C6H7N5 7-Methyladenine HMDB11614 MEDIUM 0.90_318.1255m/z 318.1254692 0.90 1383.3242 1396.7942 1367.9700 1391.2368 1357.5071 1370.6562 0.90_435.0983m/z 435.0983068 0.90 1177.9136 1075.9355 1165.8326 1119.0167 1116.1124 1135.3801 0.90_689.2086m/z 689.2086285 0.90 4118.0443 4582.9856 4668.7588 4225.1279 4382.7623 4210.9627 0.91_101.0602m/z 101.06015 0.91 1544.3587 1434.6501 1533.5542 1497.1895 1474.1423 1541.2465 0.91_112.0407m/z 112.040698 0.91 232.4507 241.1174 246.4028 239.9071 221.3356 255.2650 0.91_160.1334m/z 160.1333859 0.91 12694.8541 11732.1310 12795.2619 12590.8094 12360.6574 12687.7356 C8H14O2 4-Hydroxyoctenal HIGH 0.91_191.1170m/z 191.1170213 0.91 416.4447 431.9897 459.8733 446.8133 386.3508 423.8740 C11H16N2O2 "4-(Methylamino)-3,5-xylyl methylcarbamate" MEDIUM 0.92_124.0869m/z 124.0869338 0.92 3648.7268 3772.4341 3749.2081 3770.7138 3704.0659 3776.7690 C6H11N3O L-Histidinol L-Histidinol HMDB03431 HIGH 0.92_166.0957m/z 166.0957152 0.92 5921.5033 5867.0101 6089.1554 5957.8740 5909.2564 6011.9805 0.92_204.0863m/z 204.0862854 0.92 3532.8008 3328.8514 3534.3096 3341.9264 3399.3997 3449.3882 0.92_211.0953n 212.1026067 0.92 20498.3385 21429.3139 21472.2089 21376.5592 21187.3859 21612.1558 C9H13N3O3 Zalcitabine Zalcitabine 10101 MEDIUM 0.92_353.5925m/z 353.5925261 0.92 54.1287 40.1261 40.8592 48.3778 51.2608 53.3402 0.92_375.0521m/z 375.0520553 0.92 3210.7381 3244.2762 3316.1215 3413.7184 3356.5549 3369.3385 0.92_391.0257m/z 391.0257218 0.92 1165.1576 1159.2088 1186.2605 1233.1199 1207.8040 1172.4372 0.92_727.1032m/z 727.1032493 0.92 562.2624 573.4467 580.9483 524.5033 525.1229 502.3374 0.92_81.0431m/z 81.04314566 0.92 254.0262 223.7410 260.0441 233.6125 249.7986 237.0630 0.92_86.0971m/z 86.09711781 0.92 63.4990 51.2211 67.4064 57.2548 65.7605 62.7433 0.93_174.0887m/z 174.0886906 0.93 4486.1245 4402.2468 4532.5906 4507.2377 4491.7422 4564.6159 0.93_231.0961m/z 231.0961332 0.93 1283.5401 1175.2526 1290.5584 1188.7545 1297.4805 1158.2321 0.93_242.1122m/z 242.1122329 0.93 340.1092 365.9411 372.0604 365.2067 364.0750 364.0084 C10H12N2O4 Hydroxykynurenine Hydroxykynurenine HMDB00732 HIGH 0.93_303.1151m/z 303.1151245 0.93 1859.2544 1800.2454 1860.6393 1813.5825 1751.5514 1846.8219 0.93_530.2040m/z 530.2039792 0.93 723.5517 775.2477 760.6406 722.8523 785.9325 677.8589 0.93_95.0147m/z 95.01468288 0.93 128.1421 99.8179 119.2384 125.3505 116.2321 110.7210 0.94_112.0860m/z 112.0859915 0.94 475.2699 480.1649 447.9365 486.3189 448.2189 479.7744 C5H9N3 Histamine Histamine HMDB00870 MEDIUM 0.94_136.9311m/z 136.9311329 0.94 1286.4422 850.9695 1073.3516 1024.6174 978.3857 1010.7833 0.94_154.0961m/z 154.0961201 0.94 2297.0943 2362.5045 2251.6814 2475.3473 2305.6485 2513.1027 0.94_183.0712m/z 183.0712372 0.94 1523.4285 1516.0815 1550.3909 1539.6757 1562.8130 1545.4980 0.94_286.2114m/z 286.2113723 0.94 190.6540 211.1029 215.0984 205.6766 221.7792 216.3327 0.94_463.0506m/z 463.0506037 0.94 2009.7675 1892.1686 2002.1394 1908.3731 1954.5279 1930.1949 0.95_169.0365m/z 169.0364643 0.95 669.5619 547.6444 644.7444 592.9540 677.2113 583.0543 C5H4N4O3 Uric acid Uric acid HMDB00289 MEDIUM 0.95_203.1395m/z 203.1395483 0.95 7801.2986 8254.2500 8083.4290 8077.8679 8005.1990 8151.5329 0.95_231.1697m/z 231.1696734 0.95 4511.9670 4390.0287 4605.6094 4295.3911 4293.3507 4410.7550 0.95_335.1784n 358.1081816 0.95 1488.1970 1730.9270 1484.5910 1669.0175 1545.5330 1685.4503 0.95_84.0811m/z 84.08108252 0.95 1322.8322 1389.2442 1379.7232 1420.1786 1380.3042 1441.6768 C5H9N tert-Butyl isocyanide MEDIUM 0.96_103.0668n 87.04418091 0.96 1484.1820 1464.6981 1486.3426 1509.2580 1511.9453 1543.1352 0.96_146.0931m/z 146.0930944 0.96 8149.0091 8269.6433 8200.0904 8568.6359 8151.5896 8494.5375 C10H14N2 Nicotine Nicotine 54-11-5 HIGH 0.96_193.9300m/z 193.9299653 0.96 205.2013 127.4821 151.6710 136.4763 172.6863 145.3306 0.96_211.0005n 212.0041414 0.96 1611.2311 1734.0552 1655.3308 1750.2688 1659.9614 1800.1276 0.96_219.0827m/z 219.0826738 0.96 625.1148 574.4866 621.3118 556.7101 583.0036 583.1701 0.96_246.1423m/z 246.1423402 0.96 1607.1616 1516.3518 1627.8743 1522.6181 1532.7349 1503.6349 0.96_276.1015m/z 276.1014915 0.96 958.9134 974.2450 988.3970 972.0864 984.0283 964.0535 0.96_356.0419n 357.0492203 0.96 15022.9215 15162.5828 15583.2390 15490.7557 15456.6643 15526.2793 0.96_73.0287m/z 73.02872619 0.96 156.9437 164.2281 159.1848 156.1239 171.7542 145.6817 0.96_934.3556m/z 934.3555839 0.96 361.1215 546.3124 462.4047 462.6273 481.2029 464.0780 0.97_116.0708m/z 116.0708241 0.97 707.0672 652.1498 687.3049 678.7604 689.7741 693.9371 C5H9NO2 1-Amino-1-cyclobutanecarboxylic acid MEDIUM 0.97_129.0534n 112.0500967 0.97 403.1037 458.5972 454.9537 478.3261 425.8163 455.5843 0.97_214.1056m/z 214.1056486 0.97 724.4180 772.8661 835.5704 777.7188 782.1129 768.9805 0.97_278.1226m/z 278.1226242 0.97 4935.1236 5975.0241 5512.5143 5782.2908 5592.3209 5822.0189 0.98_124.0387m/z 124.0386853 0.98 216.1208 225.2748 213.1969 221.2769 203.8153 219.7681 C6H7NO3 Butenolide 4-Hydroxy-2-butenoic acid gamma-lactone MEDIUM 0.98_136.0619m/z 136.0619455 0.98 3208.6999 3601.6858 3425.8368 3417.1422 3259.2709 3525.2573 C5H5N5 Adenine Adenine 16708 MEDIUM 0.98_158.1168m/z 158.1167984 0.98 522.4174 525.8854 539.1112 522.2041 492.7051 507.9532 0.98_248.0196m/z 248.0195896 0.98 754.9897 712.6313 766.4191 754.7370 688.6029 776.9925 0.98_260.0875m/z 260.087465 0.98 3251.9345 3424.0692 3391.1760 3450.5302 3384.1594 3381.2211 0.98_373.1684m/z 373.168435 0.98 347.7893 348.5641 335.0632 308.6000 306.5022 275.3596 0.99_126.0218m/z 126.0218097 0.99 55.4378 49.2754 56.7782 53.9390 58.9999 59.8235 0.99_128.1064m/z 128.1064454 0.99 194.2325 172.9539 184.3085 182.7743 195.5414 169.3031 0.99_146.1180m/z 146.1180275 0.99 1418.6342 1144.9889 1288.5203 1238.1571 1295.6607 1270.1783 0.99_189.0767m/z 189.0766625 0.99 989.0959 988.1214 1031.2900 1015.3911 1009.8181 1063.6215 0.99_249.9770m/z 249.9770326 0.99 215.2511 144.9937 215.3329 155.5440 169.7959 179.6232 0.99_69.0342m/z 69.03421767 0.99 379.4405 369.2333 377.7254 378.9776 369.4260 378.6112 C4H6O2 Diacetyl Diacetyl 16583 MEDIUM 0.99_99.0443m/z 99.0442921 0.99 83.8279 80.7327 90.7744 77.4404 88.5618 72.1307 C5H8O3 Alpha-ketoisovaleric acid Ketoisovaleric acid 16530 MEDIUM 1.00_130.0872m/z 130.087249 1.00 732.2579 713.3938 785.9503 747.6975 776.8824 741.3534 C6H11NO2 D-Pipecolic acid D-Pipecolic acid HMDB05960 HIGH 1.00_153.9993m/z 153.9992662 1.00 205.6229 211.5801 179.8376 202.0026 202.1427 231.3481 1.00_162.0219m/z 162.0219105 1.00 1236.4519 1275.2843 1279.6715 1241.8698 1273.9032 1285.0371 1.00_283.0398m/z 283.0398449 1.00 7692.4903 8054.2841 8015.3597 7964.4574 8165.7458 8062.5925 1.00_285.0384m/z 285.0383683 1.00 578.4921 588.5191 580.8580 619.3710 638.4461 585.5068 C15H10O7 Quercetin Quercetin 16243 MEDIUM 1.00_305.0225m/z 305.022508 1.00 745.2672 777.9753 758.2731 764.0264 762.9758 751.2425 1.01_108.0809m/z 108.0808564 1.01 447.3568 440.5807 438.1947 427.4562 419.0244 440.2774 C7H9N O-Toluidine 66892 MEDIUM 1.01_189.1224m/z 189.1224472 1.01 6817.1132 7060.8354 7140.1322 6947.3176 6962.1207 6996.8451 C8H16N2O3 N6-Acetyl-L-lysine HMDB00206 HIGH 1.01_485.1334m/z 485.1334441 1.01 1606.7684 1955.2369 1733.6762 1816.7308 1767.0261 1795.1542 1.03_103.1002n 126.0920134 1.03 4238.4006 4390.7867 4411.3006 4349.2170 4434.1568 4518.2071 1.03_158.0826m/z 158.0825663 1.03 1719.0907 1790.7679 1731.5704 1753.6496 1648.9354 1780.7162 C7H11NO3 Paramethadione Paramethadione 250989 MEDIUM 1.03_186.0873m/z 186.0873165 1.03 3455.1340 3557.9091 3695.4476 3550.9246 3487.3305 3629.4930 1.03_217.1369m/z 217.1368984 1.03 46240.1877 49526.7131 48600.7752 49234.2869 49636.2295 50600.9652 1.03_239.1371m/z 239.1371079 1.03 609.7161 646.3582 661.9796 644.2441 651.4249 595.0506 C12H18N2O3 Secobarbital Secobarbital 9073 MEDIUM 1.03_405.1595m/z 405.1594879 1.03 162.2256 212.2854 155.6163 205.9912 185.3008 177.6165 1.03_83.0597m/z 83.05969264 1.03 106.7408 114.4789 118.0902 109.1329 114.0741 122.5980 C4H8N2O Gyromitrin 5583 MEDIUM 1.04_98.0967m/z 98.0966683 1.04 1627.3623 1578.8560 1621.4054 1620.6499 1623.4911 1656.8963 1.05_218.0445m/z 218.0445497 1.05 52.5763 78.0507 47.1888 67.9345 65.8006 67.6832 1.05_268.1046n 286.1384049 1.05 6989.8720 6859.6609 7284.7520 6856.4864 6995.4841 6969.2424 1.05_380.9969m/z 380.9968949 1.05 2464.0706 2003.8549 2242.2904 2163.7015 2245.1694 2172.7158 1.05_601.2052m/z 601.2052183 1.05 277.6185 310.1749 315.4226 306.9005 277.4530 257.8233 1.06_104.0707m/z 104.0707429 1.06 344.9793 333.7388 368.3394 342.5917 386.5065 347.6735 C4H9NO2 3-Aminoisobutanoic acid 3-amino-isobutanoic acid HMDB03911 MEDIUM 1.06_114.0916m/z 114.0915677 1.06 600.7147 637.4485 600.3376 680.8284 592.6502 659.3501 1.06_145.0499m/z 145.0499123 1.06 6464.6226 6594.8585 6557.1331 6595.2622 6639.7373 6816.9306 C6H10O5 Levoglucosan Glucosan HMDB00640 HIGH 1.06_204.1235m/z 204.1234825 1.06 97133.3048 98879.3262 97333.7429 99147.3348 101270.9103 101228.9188 1.06_204.2389m/z 204.2388683 1.06 960.6033 1109.8949 959.3218 925.5335 913.9102 834.8619 1.06_307.0405m/z 307.0404544 1.06 4432.9600 4480.1386 4486.8642 4590.0578 4502.2847 4602.1070 1.06_60.0812m/z 60.08115995 1.06 419.3245 407.9862 441.9572 421.6575 433.5363 438.9102 C3H9N Trimethylamine Trimethylamine 18139 MEDIUM 1.06_85.0287m/z 85.02872719 1.06 6374.4419 6627.8581 6575.3641 6695.2220 6793.6170 6829.4877 1.07_118.0269m/z 118.0269385 1.07 62.2331 61.9493 60.7251 68.4466 71.7784 67.0973 C2H2FNaO2 Sodium fluoroacetate 38699 MEDIUM 1.07_278.1213m/z 278.1212964 1.07 6114.1333 5896.0339 6198.2457 5746.9491 6066.2747 5827.1504 1.07_396.9714m/z 396.9714317 1.07 1552.1162 1300.5322 1407.6770 1344.5273 1367.2463 1395.6850 1.07_649.0471m/z 649.047073 1.07 493.2321 433.2084 519.3848 447.4148 509.0081 426.5174 1.07_70.0291m/z 70.02907003 1.07 25.2474 23.1029 22.1571 22.7713 19.6149 18.7398 1.07_800.0558m/z 800.0557853 1.07 354.6362 345.3176 343.4300 321.1346 353.8889 301.3112 1.07_802.0728m/z 802.0727662 1.07 328.3703 350.5244 390.4990 358.8781 364.0053 329.0815 1.08_110.0704m/z 110.0704012 1.08 2290.8335 2394.4887 2352.1702 2400.2889 2378.4907 2431.1748 1.08_119.0373n 142.0151347 1.08 1043.9360 916.2655 929.6345 986.9494 1017.5484 1005.2014 C7H5NO Phenyl isocyanate 53806 MEDIUM 1.08_125.0349m/z 125.0349058 1.08 3065.1408 3126.7424 3116.8456 3149.0883 3161.7096 3182.5668 C5H6N2O3 5-Hydroxymethyluracil 5-Hydroxymethyluracil HMDB00469 HIGH 1.08_151.0504m/z 151.0503795 1.08 3089.7450 2866.4866 3025.4826 2974.8419 2953.7700 3032.0435 1.08_153.0630m/z 153.0630038 1.08 3711.8265 3815.2787 3812.4995 3881.3071 3733.7216 3939.2334 1.08_155.0455m/z 155.0454569 1.08 7870.4971 7591.2395 7754.6912 7734.6976 7848.8431 7994.7172 C9H8O Cinnamaldehyde Cinnamaldehyde 16731 HIGH 1.08_167.0504m/z 167.050391 1.08 4581.2729 4537.2568 4601.7976 4616.3413 4580.3831 4749.3521 1.08_179.0449m/z 179.0448845 1.08 8795.9663 9159.2816 8695.6593 9138.8833 8831.2076 9308.1393 1.08_186.0213m/z 186.0213453 1.08 1132.5813 1061.8067 1116.4124 1142.0376 1010.8238 1155.9488 1.08_208.0482n 209.055421 1.08 34428.8221 34667.4062 34702.7671 34785.8833 35270.9655 35645.0526 1.08_208.5343m/z 208.5343119 1.08 117.9548 101.9009 110.0737 125.7587 107.4834 106.3860 1.08_219.5349m/z 219.5349285 1.08 57.3469 54.0211 45.3196 54.5963 52.2038 43.4752 1.08_263.5433n 264.5504617 1.08 3301.6450 2942.2628 3136.6553 3387.3431 3234.5314 3284.3807 1.08_267.0582m/z 267.0582149 1.08 26453.4571 25599.7899 26300.7652 26961.2840 26752.4833 27139.0294 1.08_269.1239m/z 269.1238779 1.08 37018.6631 40028.2602 38878.7228 39894.1869 39673.7904 40010.2772 C11H16N4O4 Pentostatin Pentostatin HIGH 1.08_315.0178n 298.9951792 1.08 2423.4277 1998.4462 2161.7437 2220.6702 2156.8073 2310.8948 1.08_344.0025m/z 344.0025387 1.08 1352.8215 1193.6667 1334.1117 1172.0219 1286.0099 1308.4417 1.08_386.0830m/z 386.082986 1.08 3258.8493 3279.0374 3340.9951 3515.8265 3387.9155 3460.2160 1.08_386.5845m/z 386.5845128 1.08 792.1384 773.4438 801.6358 865.0224 807.2678 859.5054 1.08_513.1025m/z 513.1024887 1.08 1676.3027 1617.9471 1628.6737 1642.0716 1621.9100 1659.1485 1.08_542.0569m/z 542.0568506 1.08 5097.4563 4886.6249 5130.0129 4817.4368 5021.0050 5049.6552 1.08_646.1075m/z 646.1074995 1.08 1069.6509 956.5309 1054.7889 1038.3318 968.1156 1011.7944 1.08_702.0856m/z 702.0855934 1.08 2858.0141 2751.2186 2890.7690 2896.3784 2771.9835 2760.8467 1.08_787.1292m/z 787.1291953 1.08 276.3553 316.9804 291.4758 251.2034 262.2511 260.5967 1.08_788.1648n 771.1614712 1.08 964.6196 1017.8820 1024.3320 974.3169 1062.0136 926.6625 1.08_80.0497m/z 80.04972333 1.08 129.2961 131.2526 124.3318 120.5254 122.6474 140.4167 1.08_82.0289m/z 82.02890547 1.08 132.3612 123.1440 131.9739 120.7639 136.5668 112.9974 1.08_934.3550m/z 934.3550489 1.08 335.5885 415.6690 419.4553 321.8654 369.0538 328.7538 1.09_100.0761m/z 100.0760723 1.09 3760.0467 3859.7854 3769.2808 3906.2330 3915.8175 4013.6178 C5H11NO2 5-Aminopentanoic acid 5-Aminopentanoic acid HMDB03355 HIGH 1.09_138.0426n 139.0502727 1.09 10573.4206 10996.7748 10551.7500 10944.7855 10598.9738 11087.9806 C6H6N2O2 Nicotinamide N-oxide Nicotinamide N-oxide HMDB02730 MEDIUM 1.09_151.5222m/z 151.5221781 1.09 110.9861 85.1288 92.3055 95.0231 94.7081 113.8784 1.09_198.5392m/z 198.539205 1.09 68.4132 56.6784 69.9753 58.3031 41.7218 77.5460 1.09_217.1310m/z 217.1310385 1.09 2808.7350 2563.1794 3069.3589 2525.5108 3125.7641 2531.8288 C8H16N4O3 N-a-Acetyl-L-arginine N-acetylarginine HMDB04620 HIGH 1.09_236.0293n 254.0867475 1.09 4070.2847 4078.1144 4087.3254 4153.1193 4165.7500 4219.3175 1.09_241.1269m/z 241.1269218 1.09 1721.0536 1859.2615 1841.0461 1860.7428 1864.4071 1896.5579 1.09_243.1436m/z 243.1436095 1.09 2394.7876 2552.1479 2452.7855 2560.0270 2505.6490 2481.3973 1.09_246.0836n 269.0724597 1.09 5437.8059 5139.2187 5422.3201 5403.0861 5292.3167 5475.4521 1.09_256.0623m/z 256.0622507 1.09 1175.8176 1363.2384 1156.0881 1342.6482 1197.1811 1370.2613 1.09_256.5611m/z 256.5610906 1.09 149.4519 115.7041 132.9450 150.9071 134.8556 136.7704 1.09_263.0416n 264.04947 1.09 16210.0436 14585.1545 15618.0226 16112.5648 15871.9759 16195.5573 1.09_515.0886m/z 515.0885525 1.09 2267.2179 2216.7390 2260.9586 2250.6705 2276.1272 2283.9841 1.09_535.0968m/z 535.0968088 1.09 1066.7997 1016.8496 1064.0413 1048.9298 1043.4250 928.9077 1.09_625.0623m/z 625.0622646 1.09 2764.1614 2356.5832 2588.4401 2416.3692 2607.8121 2484.4830 1.09_627.0756m/z 627.0756264 1.09 2748.6092 2588.9281 2743.6136 2548.0180 2601.1021 2592.3950 1.09_84.0448m/z 84.04478377 1.09 702.1999 692.5340 686.5414 714.3083 691.8442 696.1463 1.09_871.1430m/z 871.1430257 1.09 152.2064 201.3813 161.4108 224.2231 206.9566 155.0094 1.09_873.1493m/z 873.1492853 1.09 106.0053 136.6232 149.2370 78.1965 110.1376 143.0554 1.09_93.0445m/z 93.04450856 1.09 370.8357 384.6296 371.3152 381.0205 360.1273 397.4434 1.09_97.0294m/z 97.02939347 1.09 289.7161 257.8287 278.1006 272.3786 293.9904 273.0232 1.10_159.5196n 160.5275537 1.10 168.2111 138.0811 133.1763 136.6837 134.4340 127.8236 1.10_192.5391m/z 192.5391479 1.10 142.2286 119.9108 123.4480 144.0877 145.9662 157.0051 1.10_206.5357m/z 206.5357049 1.10 75.5238 46.7601 66.7706 70.2092 69.4638 83.3085 1.10_211.0684m/z 211.0684206 1.10 2443.7876 2143.3933 2410.9537 2279.8311 2369.6829 2261.1062 C9H13N3O4 Deoxycytidine Deoxycytidine HMDB00014 MEDIUM 1.10_219.1331m/z 219.1330788 1.10 2661.2527 2502.3467 2904.7578 2429.1822 2826.5028 2545.7040 C14H21NO2 "3,5-Diisopropylphenyl methylcarbamate" 27689 MEDIUM 1.10_233.0484m/z 233.0484029 1.10 870.0757 701.2954 833.8448 826.1781 772.8625 788.2697 1.10_471.1002m/z 471.1002222 1.10 1118.0876 1019.3707 1140.9156 1144.9243 1108.3614 1051.9505 1.12_127.9789n 128.9860433 1.12 657.1667 400.6594 559.3519 565.0130 559.4072 531.8999 1.12_134.1174m/z 134.1174433 1.12 272.2057 243.6351 266.4781 261.4292 261.6502 250.3204 C6H12O2 Polyvinyl acetate MEDIUM 1.12_158.1175m/z 158.1175145 1.12 7116.4738 7122.0542 7263.3098 7299.7242 7119.5697 7251.0403 1.12_174.9920m/z 174.9919731 1.12 1004.2104 868.4803 945.4939 1017.9201 960.3630 952.3411 1.12_215.5436m/z 215.5436072 1.12 45.3681 45.3041 51.7092 62.6090 43.9162 66.9557 1.12_317.0965m/z 317.0964774 1.12 1512.1264 1487.5927 1443.7698 1435.9846 1527.0846 1503.0931 1.12_366.1317m/z 366.1317416 1.12 480.7954 511.2954 533.8612 505.6135 551.1989 557.8216 1.12_485.1346m/z 485.1345963 1.12 1992.6719 1991.7429 2084.1392 1880.8754 1985.0106 1906.2510 1.12_71.0501m/z 71.05008622 1.12 111.8405 106.9191 119.2225 106.5746 112.1096 116.6213 1.13_527.1555m/z 527.1555352 1.13 1085.7849 1157.0957 1232.8258 1100.0145 1177.6471 1148.3334 C27H29NO11 Doxorubicin 28748 MEDIUM 1.13_529.1917n 552.1846319 1.13 362.2276 402.3392 428.8575 349.0907 398.0078 391.1062 1.14_102.0554m/z 102.0554381 1.14 124.9960 104.7925 123.0447 104.4830 120.9563 104.3508 1.14_172.0966m/z 172.0965555 1.14 679.0121 792.1151 719.5185 747.3948 725.4003 807.6687 1.14_305.1330m/z 305.1329877 1.14 696.4763 861.1409 648.4323 800.7088 723.6749 819.9690 1.14_82.0653m/z 82.06529345 1.14 34.0736 33.7261 32.5685 29.5935 27.4385 36.6784 C5H9NO n-Butyl isocyanate 136519 MEDIUM 1.14_88.0399m/z 88.03994472 1.14 483.4678 491.9888 487.1153 466.2253 511.0395 473.4952 C8H8 Styrene Styrene 27452 MEDIUM 1.15_106.0607m/z 106.0606871 1.15 290.6868 316.0037 294.9528 291.5477 283.4125 313.0105 1.15_167.1059n 168.1132065 1.15 3023.9518 3051.1824 3062.0310 3091.8522 3058.9594 3188.0922 1.16_112.0444m/z 112.044354 1.16 6003.6276 5898.9785 5951.8361 6108.2988 5918.1650 6140.4944 1.16_142.0865m/z 142.0865064 1.16 13437.1568 12201.6496 12942.5146 13071.4438 12871.9375 13256.7720 C7H11NO2 L-Hypoglycin A MEDIUM 1.16_225.0740n 226.0813238 1.16 8426.4821 8299.5336 8525.5972 8606.2117 8473.6850 8622.3418 1.16_330.1209m/z 330.1209003 1.16 920.4115 948.0948 950.9580 1033.7146 986.4761 999.5232 1.16_446.0335m/z 446.0335218 1.16 2109.5349 2204.4631 2153.5631 2124.4607 2098.6129 2123.8374 1.16_573.0551m/z 573.0551431 1.16 2000.0960 1972.7689 1987.8819 1970.9344 1965.7887 1974.0700 1.16_667.0743m/z 667.074264 1.16 1682.2703 1735.0749 1656.0402 1668.3586 1669.4276 1701.3230 1.16_67.0426n 68.0499242 1.16 256.3595 255.0930 281.6882 268.8596 262.8947 277.8989 1.16_96.0814m/z 96.08138569 1.16 1043.2728 928.1494 999.2139 1016.5902 999.0883 1029.0816 C6H6 Benzene Benzene 16716 MEDIUM 1.17_337.1084m/z 337.1084146 1.17 499.3935 748.1822 513.6540 553.2992 531.2004 702.3471 1.17_845.0067m/z 845.006706 1.17 292.1209 269.1139 257.2669 321.2308 294.4381 289.7396 1.18_111.0077m/z 111.0076615 1.18 1010.7502 984.2554 1012.4986 1053.5459 1032.4697 1025.8892 1.18_134.0052m/z 134.0052315 1.18 629.9275 465.9955 559.1845 569.6806 544.5714 552.1775 1.18_143.0094m/z 143.0094247 1.18 130.8482 69.8787 101.4985 117.9357 102.9746 105.5389 1.18_144.0074m/z 144.0073824 1.18 481.9172 391.2845 469.2564 474.0967 469.8626 491.8870 1.18_144.1297n 145.1339381 1.18 2541.3241 2461.8614 2544.7166 2526.7747 2447.6878 2518.8484 1.18_144.5096m/z 144.5095546 1.18 35.5266 32.2646 26.6072 42.1003 48.8267 38.6720 1.18_147.9919m/z 147.9919079 1.18 300.6073 234.1259 277.7303 302.1393 285.5299 296.8453 1.18_157.4989m/z 157.4989079 1.18 58.3022 61.4687 72.3355 72.7215 62.1286 60.2975 1.18_167.0097m/z 167.0097198 1.18 489.6688 398.6774 502.6261 539.4043 450.8030 513.2848 1.18_167.5126m/z 167.5126312 1.18 31.0236 19.8916 30.7441 38.3663 30.3462 44.1623 1.18_170.9943m/z 170.9943096 1.18 168.0776 126.3233 161.2219 168.5458 168.6462 158.6547 1.18_175.0241m/z 175.0241252 1.18 858.8278 730.9445 857.3758 831.2759 848.1844 784.1567 1.18_180.5015m/z 180.5015273 1.18 379.9943 303.1435 370.2500 382.7414 364.8466 357.7971 1.18_182.4992m/z 182.4991749 1.18 73.0264 58.7318 69.4684 74.2190 53.0400 50.4986 1.18_197.0028n 215.01629 1.18 36077.7445 32814.6070 35552.2028 36927.4796 35301.4965 35835.1835 1.18_212.0073m/z 212.0073035 1.18 5669.9229 4857.4733 5518.5219 5944.5083 5558.2532 5654.2404 1.18_212.5090m/z 212.5089825 1.18 607.0298 572.2101 561.6655 624.3356 596.6845 614.9911 1.18_247.0041n 230.9815275 1.18 1363.1054 1134.0832 1220.9240 1354.4937 1263.2969 1373.7728 1.18_312.4810m/z 312.4810458 1.18 118.5184 82.7575 95.9584 93.9167 102.8768 102.3021 1.18_319.0067m/z 319.0067327 1.18 575.8804 500.9011 587.9734 596.2422 598.2422 584.8497 1.18_344.1433m/z 344.143329 1.18 1397.3536 1516.8544 1413.3675 1418.0997 1423.1188 1471.1722 C18H20FN3O4 Levofloxacin Ofloxacin 63598 MEDIUM 1.18_347.9771m/z 347.9771128 1.18 408.2426 317.1588 383.4404 363.3989 366.5799 383.2956 1.18_393.9823m/z 393.9823042 1.18 6941.6912 6201.9447 6761.9285 6430.1785 6648.1028 6744.2631 1.18_407.0311m/z 407.031071 1.18 1603.1307 1578.7992 1570.8860 1699.7720 1571.2886 1712.5011 1.18_423.0076m/z 423.0075533 1.18 21356.5786 17931.0482 20279.8343 20919.9287 20249.5961 20204.5959 1.18_426.0224n 409.0190914 1.18 6426.4347 5960.4237 6217.0837 6434.5121 6131.4345 6325.0499 1.18_432.9717n 433.9789748 1.18 889.3456 759.8116 901.0176 879.6270 799.3314 882.1999 1.18_454.9765n 438.9794969 1.18 9172.4984 8133.5273 8814.2943 8984.0240 8654.5797 8987.7632 1.18_520.9799m/z 520.97994 1.18 3264.4329 2505.3467 2978.9962 2952.3127 2796.0310 2848.9685 1.18_615.0345m/z 615.0345214 1.18 10740.0504 9563.3927 10468.1019 11021.8573 10471.4147 10547.7177 1.18_68.9978m/z 68.99783854 1.18 253.1089 224.1474 239.4539 259.1620 261.4956 254.2150 1.18_713.0082m/z 713.0082359 1.18 235.7783 220.1452 224.6211 228.5695 226.2314 207.3643 1.18_765.9224m/z 765.9224208 1.18 392.3937 227.0789 364.3795 296.7756 303.7319 273.2891 1.18_859.9722m/z 859.9721883 1.18 1069.6933 923.9601 1059.4253 1053.6919 966.4063 1062.6703 1.18_86.0970m/z 86.09698656 1.18 274.4340 258.7875 283.2351 274.3153 280.7961 272.3572 1.18_98.0131m/z 98.01306543 1.18 54.6675 36.4038 42.8992 43.9967 43.9563 48.0999 1.19_118.0658m/z 118.0658364 1.19 204.2182 229.2658 197.7174 219.5972 209.5572 217.9949 1.19_122.0599m/z 122.059873 1.19 471.0245 480.9699 458.0437 446.1833 434.9306 458.2746 1.19_159.4992m/z 159.4991774 1.19 19.7483 11.4548 19.1582 22.2959 24.8238 18.5440 1.19_164.0707m/z 164.0706892 1.19 2096.0272 1966.0308 2057.8208 2021.1355 2029.7173 2014.6701 C9H11NO3 o-Tyrosine HMDB06050 HIGH 1.19_183.0800m/z 183.0799606 1.19 2512.5826 2500.0131 2449.8793 2496.9654 2437.2748 2535.1317 1.19_327.4952m/z 327.4952271 1.19 169.2146 124.3322 167.0049 180.6366 162.3735 185.3237 1.19_436.9844m/z 436.9844424 1.19 330.6849 257.0490 309.9029 299.0059 289.0964 290.5766 1.19_667.9478m/z 667.9478187 1.19 482.0850 428.1939 439.1291 503.3631 409.5237 437.5752 1.20_152.1076m/z 152.1076185 1.20 73.4884 61.9991 75.5495 78.7495 85.2318 79.8250 1.20_201.9556m/z 201.9556236 1.20 1191.7638 977.1746 1080.9588 978.2683 1100.0881 1091.3451 1.20_244.1145m/z 244.1145081 1.20 437.7636 387.2229 441.7812 437.3762 424.6317 405.3777 1.20_256.0303m/z 256.0302832 1.20 117.3826 95.7384 120.0343 96.1623 102.8120 86.8669 1.20_304.1492m/z 304.1492011 1.20 2185.5889 2254.2110 2344.5743 2239.9126 2320.4803 2248.7572 1.20_316.1020m/z 316.1019604 1.20 1683.5434 1740.3963 1727.8235 1801.7451 1742.2028 1736.1333 1.20_637.0268m/z 637.0267669 1.20 216.6197 171.5762 224.3495 217.2030 212.6006 199.3085 1.20_652.9846m/z 652.9845566 1.20 235.8269 193.3604 241.7121 232.3918 238.3870 175.9067 1.20_942.9843m/z 942.9842829 1.20 157.1747 106.1783 142.0938 136.1340 120.7166 121.3137 1.21_106.0296m/z 106.0295628 1.21 323.9454 310.5388 345.8017 332.3146 330.0274 338.5317 C6H5NO2 Nitrobenzene 27798 MEDIUM 1.21_124.0428m/z 124.0428157 1.21 2057.2089 2211.3358 2063.0053 2193.3835 2110.3581 2190.9818 1.21_213.1338m/z 213.1337697 1.21 207.5574 236.5499 234.4729 250.2286 231.5110 226.8408 1.21_259.1630m/z 259.162996 1.21 702.7126 749.8826 749.2901 710.9721 726.0821 679.7029 1.21_460.9604m/z 460.9604136 1.21 422.0953 281.0963 362.3399 377.2560 327.5477 388.1973 1.21_557.0649m/z 557.0649305 1.21 1703.2275 1533.7500 1741.9655 1639.9765 1657.5121 1624.8137 1.21_601.2073m/z 601.2072776 1.21 308.7122 432.5394 384.1489 411.7264 359.3165 387.5532 1.21_70.0657m/z 70.06565513 1.21 78.2902 69.4529 83.7890 77.2313 82.4856 72.6045 C4H7N Butyronitrile 51937 MEDIUM 1.21_78.0345m/z 78.03445673 1.21 86.2210 104.2401 91.7724 99.0275 103.3825 95.7289 C2H4FNO Fluoroacetamide 53124 MEDIUM 1.21_98.0602m/z 98.06016289 1.21 312.0840 337.1660 347.0364 342.2723 332.3361 352.8722 1.22_172.0966m/z 172.0965753 1.22 706.5615 692.6274 694.2831 672.6925 714.6042 699.1381 1.22_192.0342m/z 192.0342434 1.22 753.2309 701.9624 782.5721 757.8269 740.0148 759.0948 1.22_231.0969m/z 231.0969 1.22 3979.7816 4229.1626 4107.3241 4128.2902 4143.2027 4196.8345 1.22_352.0512m/z 352.0511746 1.22 3790.8420 3898.3709 3913.0473 3784.7830 3929.0860 3875.2713 1.22_447.0175m/z 447.017483 1.22 152.9397 96.6541 141.0350 113.2354 154.1864 108.1057 1.22_513.0537m/z 513.0536608 1.22 209.2151 218.6934 228.9567 210.9027 214.4156 228.4461 1.22_621.0822m/z 621.0822066 1.22 3218.4196 3283.3244 3377.8874 3492.5321 3232.9859 3248.2657 1.22_725.0991m/z 725.0990679 1.22 166.3285 184.0686 155.5451 172.5690 175.4496 128.0581 1.22_771.2610m/z 771.2609835 1.22 196.0376 359.0336 236.5896 253.8696 287.2879 297.2751 1.23_136.9313m/z 136.9313005 1.23 131.5319 90.4704 140.8384 122.8185 112.4495 108.7164 1.23_137.0604m/z 137.0603606 1.23 894.0550 1013.1496 946.9774 908.1699 923.3491 1005.9267 C8H8O2 Phenylacetic acid Phenylacetic acid 30745 MEDIUM 1.23_138.0917m/z 138.0917395 1.23 591.6820 678.8656 622.7309 646.5762 610.5144 659.1761 C8H13NO2 Retronecine Retronecine MEDIUM 1.23_157.0724m/z 157.0724027 1.23 16561.7404 16056.6829 17274.0909 15926.2512 17167.1652 15969.6863 1.23_171.1494m/z 171.1494333 1.23 141.1062 145.0976 154.1514 144.0450 142.7320 140.9453 1.23_197.0941n 181.0715327 1.23 63443.0777 64646.9982 64238.3942 64798.2546 64468.0272 65905.6974 1.23_229.1984m/z 229.1984438 1.23 107.8547 253.1516 128.3627 129.4089 93.8011 225.5881 1.23_237.0852n 221.0626422 1.23 5432.7042 5225.0976 5434.1307 5337.4017 5464.0025 5351.0548 C9H11N5O3 Biopterin Biopterin HMDB00468 HIGH 1.23_328.9564m/z 328.9564394 1.23 948.2265 487.4750 675.6736 671.3647 585.6108 670.1777 1.23_351.1574m/z 351.1574068 1.23 5620.3286 6410.4461 6051.3663 6180.7262 6031.8275 6223.9551 1.23_435.0680m/z 435.0679732 1.23 379.3719 344.0389 386.8485 382.0595 364.1416 341.5305 1.23_627.1239m/z 627.1238762 1.23 235.5711 231.9996 262.4267 263.5262 220.2477 219.8577 1.23_91.0548m/z 91.05479582 1.23 46.6680 82.9539 52.2059 84.1503 65.1788 67.6872 C7H8O p-Cresol P-Cresol 17847 MEDIUM 1.24_154.0502m/z 154.050247 1.24 2440.1315 2425.4500 2565.0009 2512.9074 2866.9606 2159.4035 C12H10O 2-Biphenylol 17043 MEDIUM 1.24_154.0865m/z 154.0865215 1.24 473.5522 571.3124 505.5038 525.9848 519.0293 517.9556 1.24_218.1014m/z 218.1013691 1.24 3303.9704 3293.6635 3327.5068 3302.8227 3368.3165 3286.5984 1.24_225.0988n 208.0954787 1.24 1217.1901 1188.1863 1260.2730 1269.5045 1234.3562 1264.8111 1.24_247.1394m/z 247.1393782 1.24 2999.6796 3443.7897 3031.1514 3127.1101 3110.5067 3264.2871 1.24_93.0319m/z 93.03191804 1.24 85.5211 80.4079 78.0435 74.9437 73.2808 64.6277 1.25_199.0821m/z 199.0820584 1.25 5505.0944 5558.0744 5476.0188 5556.2016 5497.0050 5584.7584 C7H10N4O3 Cymoxanil HIGH 1.25_750.0311m/z 750.031094 1.25 306.8967 227.5352 251.2419 265.1689 243.4033 297.6938 1.25_887.1263m/z 887.1263184 1.25 324.9649 301.4300 313.4222 288.1280 286.2438 290.8563 1.26_106.0656m/z 106.0655827 1.26 67.6591 69.3310 75.3980 68.8359 71.6747 71.6502 C7H9NO 2-Pyridine ethanol HIGH 1.26_149.0717m/z 149.0716983 1.26 220.8947 246.4737 188.7921 220.8632 200.8932 245.1259 1.26_385.1222m/z 385.1221518 1.26 235.8253 219.6038 239.0084 230.2604 248.4464 234.4182 1.26_543.0438m/z 543.0438035 1.26 1521.7369 1504.0034 1589.3902 1602.1412 1511.1763 1662.1209 1.26_788.1053m/z 788.1052675 1.26 122.1134 126.9621 129.4189 118.2139 108.7167 156.2016 1.26_853.6467m/z 853.6466796 1.26 155.3486 157.7455 160.5373 162.5392 156.1607 155.6613 1.26_872.6222m/z 872.622196 1.26 113.4527 137.1288 101.9032 132.9292 104.4878 139.0833 1.26_888.1432n 889.1420375 1.26 823.8992 735.4308 782.6363 850.2375 789.6733 784.3632 1.26_919.1172n 937.1591046 1.26 1500.9561 1552.0129 1495.1153 1579.9070 1484.5345 1607.9576 1.26_956.6362m/z 956.6361996 1.26 212.8991 221.3243 209.3375 225.1095 226.2728 238.2325 1.26_977.6542n 961.6596574 1.26 679.6720 648.7942 695.8976 693.4244 690.8462 719.2351 1.27_193.0976m/z 193.0975602 1.27 49429.3752 50844.7379 50243.7262 51038.5716 51873.2490 52000.0993 C10H9NO2 Indoleacetic acid Indoleacetic acid 16411 MEDIUM 1.27_337.0631m/z 337.0630796 1.27 2628.2036 2739.8355 2824.4296 2844.3117 2685.6203 2864.9656 1.27_361.0620m/z 361.0620137 1.27 1841.6252 1765.7060 1940.1756 1904.8280 1817.1155 1939.0694 1.27_673.1190m/z 673.1190399 1.27 840.8663 981.2398 969.4416 930.3060 843.7778 978.6332 1.27_841.1468m/z 841.1467964 1.27 685.3041 841.4063 807.8015 845.2565 733.3804 842.7136 1.27_869.1679n 853.1453235 1.27 389.6381 382.0188 408.1081 414.7546 375.2572 417.4646 1.27_925.1601m/z 925.1601215 1.27 344.2754 468.1423 386.3092 421.8309 420.5058 446.0959 1.27_925.6613m/z 925.6613417 1.27 193.2693 294.8657 236.7096 241.7809 219.0960 265.0490 1.27_953.6836n 937.6610293 1.27 607.1299 704.0063 681.7752 642.7360 622.1293 717.7809 1.27_965.1812n 949.1586412 1.27 1787.4860 1786.6348 1915.4517 1849.7196 1781.7748 1827.3798 1.27_965.6823n 949.6597542 1.27 1085.0191 1129.2409 1188.1522 1165.1589 1054.3408 1209.2291 1.27_977.1527n 961.1574925 1.27 1220.8164 1109.1427 1146.0961 1192.0462 1170.6717 1093.8760 1.27_991.6400n 992.6324947 1.27 540.2643 338.5577 483.3991 482.6608 438.7527 409.7736 1.28_110.0612m/z 110.0611705 1.28 729.1303 699.3917 739.9034 734.9251 719.2672 712.1400 C6H9NO2 Nitro-methylene-cyclopentane MEDIUM 1.28_126.0299m/z 126.0299428 1.28 2268.8482 2066.7283 2254.9945 2195.6156 2151.8170 2249.0409 1.28_141.0415m/z 141.0415074 1.28 12482.0493 11680.4652 12281.3849 12324.1146 11901.4623 12460.9694 C4H6N4O3 Allantoin Allantoin 15676 HIGH 1.28_168.0319n 169.0368832 1.28 203315.4607 190785.4053 202055.4362 205672.0342 200836.0182 209217.5187 1.28_169.1760m/z 169.1760184 1.28 1161.3821 852.9540 1057.5417 898.6695 832.7019 602.9712 1.28_169.2139m/z 169.2138882 1.28 908.1990 825.0707 896.3352 943.2645 785.3695 813.6393 1.28_169.3898m/z 169.3898389 1.28 1209.6330 1134.3434 1149.5689 1129.3177 1041.7568 1149.9295 1.28_218.0483m/z 218.0482727 1.28 1237.8883 1194.4296 1223.4929 1194.8891 1201.4565 1179.7432 1.28_548.5647m/z 548.5647111 1.28 82.0340 67.4125 54.4005 60.7332 87.7577 81.0198 1.28_632.5782m/z 632.5781651 1.28 130.5832 89.2501 109.4559 124.4027 105.0929 102.6809 1.28_70.0404m/z 70.0404177 1.28 128.1056 116.1489 133.3958 123.0654 114.8369 115.5639 C2N2 Cyanogen 29308 MEDIUM 1.28_716.0909m/z 716.0908538 1.28 368.9883 327.8921 356.2752 396.0883 366.2836 389.9499 1.28_716.5922m/z 716.5921539 1.28 159.6720 125.6194 162.7020 175.8565 159.2215 168.3616 1.28_728.0904m/z 728.0904071 1.28 525.5189 409.8223 476.4921 495.8208 494.5625 471.1103 1.28_740.0898m/z 740.089785 1.28 182.9489 119.4841 178.0101 157.9754 152.5623 132.6425 1.28_788.6070m/z 788.6069557 1.28 61.0851 77.7322 85.8412 89.9070 78.1722 84.3571 1.28_824.6049m/z 824.6048539 1.28 137.8596 89.1428 116.8918 124.6798 120.0604 98.8557 1.28_877.1432m/z 877.14319 1.28 435.4465 346.7357 416.8862 422.8259 432.3266 383.4979 1.28_877.6455m/z 877.6454781 1.28 197.6739 194.9507 220.7060 198.0327 217.1297 215.1143 1.28_881.1395n 865.144869 1.28 818.8292 863.2258 882.6322 884.1668 850.4174 873.3219 1.28_881.6423n 865.6466364 1.28 340.6837 328.7220 361.7125 353.4707 324.6543 334.7543 1.28_884.1189m/z 884.1188564 1.28 567.0628 465.6364 562.6449 535.8814 501.9879 539.0097 1.28_884.6208m/z 884.6207566 1.28 293.3616 262.5970 304.6408 294.5322 263.5372 285.1827 1.28_956.1343m/z 956.13432 1.28 385.1859 394.5104 338.9991 396.8406 394.2569 400.7472 1.28_96.0448m/z 96.04476186 1.28 613.2479 560.1809 606.2540 586.4243 597.1534 586.5706 1.28_964.1220m/z 964.1219988 1.28 141.5647 119.6694 170.7979 147.8201 131.5823 172.4934 1.28_972.1462m/z 972.1462153 1.28 558.9441 523.4616 546.4133 521.1376 467.5150 498.5959 1.28_976.1185m/z 976.1185151 1.28 270.8079 258.9802 277.1279 252.1164 237.3014 289.8073 1.28_980.6346m/z 980.6346397 1.28 483.3813 389.2381 475.5563 462.1874 470.8517 475.5048 1.28_985.1365n 968.1332202 1.28 1360.8027 1268.7618 1298.8740 1392.9112 1281.7543 1429.6259 1.28_985.6378n 968.6345114 1.28 939.5336 917.7433 912.4237 941.6379 870.3059 913.3806 1.29_328.1032m/z 328.1032258 1.29 671.8043 759.7379 735.0337 727.4892 711.5120 756.5803 1.29_632.0768m/z 632.0767877 1.29 378.1909 262.4573 355.0125 330.9223 326.9174 336.8376 1.29_644.0743m/z 644.0742698 1.29 449.9366 408.4166 424.8050 440.7632 396.4877 413.9415 1.29_644.5777m/z 644.5776643 1.29 134.3486 61.8024 98.5786 83.9793 104.8090 94.3772 1.29_728.5921m/z 728.5921013 1.29 220.6891 161.0722 224.7941 201.5666 205.2930 175.1606 1.29_735.0650m/z 735.0650451 1.29 792.1305 684.0758 712.6141 789.6333 721.2846 759.2970 1.29_740.5894m/z 740.5894 1.29 79.3834 40.2962 50.4891 61.4737 72.5501 44.7410 1.29_759.0637m/z 759.0636715 1.29 2022.8891 1534.1564 1785.9790 1810.9028 1723.2070 1788.1108 1.29_799.0839n 783.0613475 1.29 728.6816 624.6911 688.5592 689.1274 654.2735 660.8328 1.29_800.6058m/z 800.6058334 1.29 140.4129 145.7935 155.6359 167.8744 150.5130 167.5678 1.29_812.1045m/z 812.10454 1.29 707.7412 512.9500 656.9335 617.4781 609.2507 588.2355 1.29_812.6061m/z 812.6060927 1.29 343.1725 236.1234 314.4263 290.1738 305.7049 279.7962 1.29_824.1040m/z 824.1039908 1.29 238.7285 168.8475 183.5667 189.8598 201.7578 181.0884 1.29_896.6195m/z 896.6195485 1.29 493.5320 402.5667 473.1838 463.2401 474.2914 464.1326 1.29_903.5983m/z 903.5982601 1.29 150.7999 93.1665 135.3145 86.4474 143.7393 91.1555 1.29_908.1174m/z 908.1173595 1.29 682.3834 504.9452 601.3996 562.6263 592.6451 578.7152 1.29_908.6195m/z 908.6195346 1.29 368.6337 243.9265 281.1119 300.8764 305.5444 272.8131 1.29_910.1248n 911.1320501 1.29 551.8659 447.6616 477.3178 459.9025 402.9422 449.1810 1.29_913.1213n 896.1179689 1.29 1055.0650 791.5882 958.8641 911.4080 943.7848 918.8048 1.29_972.6488m/z 972.6487777 1.29 273.4181 236.2752 247.2294 230.9415 264.1129 253.7014 1.29_983.1466m/z 983.1465873 1.29 338.8647 309.2814 379.6775 383.4659 364.2935 393.2519 1.29_992.1319m/z 992.1318855 1.29 825.8766 684.5031 805.7193 747.3328 795.9669 777.4433 1.29_997.1357n 980.1324307 1.29 1046.4004 867.9932 929.1946 1037.7859 924.3245 966.9115 1.30_268.9600m/z 268.9600437 1.30 582.0851 364.0199 502.5686 451.0978 422.0661 451.3187 1.30_369.9835m/z 369.98346 1.30 1203.1908 907.5754 1100.0179 1040.8118 1028.0281 1054.2713 1.30_390.9925m/z 390.9925243 1.30 2719.5649 2435.1406 2639.7837 2666.9114 2594.5947 2784.0944 1.30_399.0097m/z 399.0096544 1.30 5415.3969 4578.7654 5122.9711 5201.7277 4970.7155 5140.1824 1.30_406.1807m/z 406.1806873 1.30 935.7567 979.5356 963.6003 1022.3213 947.5428 993.6863 1.30_414.9814m/z 414.9813581 1.30 1831.7593 1465.7946 1677.6741 1674.7634 1634.1729 1651.8294 C8HF15O2 Perfluorooctanoic acid 35549 HIGH 1.30_567.0376m/z 567.0375975 1.30 2050.0576 1736.2899 1948.3670 2016.5110 1874.6655 1957.7690 1.30_591.0359m/z 591.0358881 1.30 2674.4428 2085.4502 2471.5029 2465.8013 2365.2469 2371.3984 1.30_899.1290m/z 899.1289681 1.30 140.8921 148.3043 113.6233 153.4407 118.3499 162.9316 1.30_911.6426m/z 911.6425811 1.30 88.4118 62.8795 75.0204 83.3785 70.7995 72.3465 1.30_927.0960m/z 927.0960383 1.30 337.8319 230.7052 286.0471 271.3868 254.9166 263.0873 1.30_942.0617m/z 942.0617031 1.30 336.7984 213.3285 299.5418 234.4890 272.0189 249.3991 1.31_163.0865m/z 163.0864912 1.31 296.0249 326.4189 294.6931 293.1620 291.2402 286.3867 1.31_206.9826m/z 206.982618 1.31 568.7464 464.4935 569.0999 565.6741 517.1915 525.9767 C2H8O7P2 Etidronic acid Etidronic acid 4907 MEDIUM 1.31_241.0808m/z 241.0808421 1.31 1411.2594 1477.7835 1412.3113 1445.8629 1416.1772 1477.5586 1.31_261.0304m/z 261.0304255 1.31 205.7516 100.8171 170.4435 173.7912 155.3789 156.8700 1.32_139.0999n 140.1070227 1.32 354.5429 339.4655 386.6765 358.7461 371.6078 393.9412 C8H13NO Tropinone Tropinone HIGH 1.32_167.0959n 168.1031622 1.32 23580.0436 22577.3191 23356.0726 23542.1433 23152.7124 23621.7305 C9H13NO2 p-Synephrine HMDB04826 HIGH 1.32_224.9958m/z 224.9958099 1.32 354.2126 280.8376 351.2721 346.2913 349.4411 324.5225 1.32_230.1241m/z 230.1240774 1.32 2477.4811 2912.3586 2698.7421 2675.1840 2734.3108 2664.0242 1.32_364.0622m/z 364.0622494 1.32 4653.9746 4740.2543 4797.8862 4699.2786 4673.2076 4712.6867 1.32_91.0548m/z 91.0548219 1.32 104.4794 82.0465 101.9767 95.1634 85.1070 78.6761 C7H8O p-Cresol P-Cresol 17847 MEDIUM 1.34_106.0655m/z 106.0655193 1.34 82.2082 90.6979 84.2277 80.4758 95.4389 80.9468 1.34_126.0919m/z 126.0918545 1.34 631.1132 700.5788 634.9018 629.0307 615.4040 644.7475 1.34_175.0860m/z 175.0860035 1.34 1404.1385 1376.0676 1319.9268 1363.0701 1354.7623 1371.9911 1.34_321.5983m/z 321.5982592 1.34 220.0243 211.7538 219.5321 232.9677 209.5590 228.3156 1.34_368.1214n 369.1286595 1.34 6524.2637 7208.0497 6848.7838 6859.7336 6708.8986 6831.0567 1.34_426.0642m/z 426.0641973 1.34 5037.1242 5297.6541 5209.3862 5241.9601 5098.2309 5224.9639 1.34_604.2425m/z 604.2424807 1.34 651.3490 791.5739 688.3285 684.0416 697.9436 686.4873 1.34_771.2580m/z 771.2580259 1.34 191.2991 240.3911 186.2324 184.3055 185.9213 181.9727 1.34_93.0694m/z 93.06939692 1.34 109.8094 113.9572 106.5072 97.8310 113.4638 122.6411 1.35_155.0812m/z 155.0812329 1.35 2239.3790 2126.0330 2216.9860 2232.5184 2159.9902 2210.3189 1.35_256.0302m/z 256.0302168 1.35 530.3167 566.1020 520.7125 541.8031 540.4049 587.1271 1.35_364.1161m/z 364.1161049 1.35 595.9301 570.3888 587.0260 574.9165 587.8920 589.6693 1.35_626.2244m/z 626.2243912 1.35 224.3258 281.2374 235.7415 269.7307 246.2403 260.6917 1.36_186.0760m/z 186.0759868 1.36 636.4223 762.6428 609.0267 651.8270 652.9309 728.3532 1.36_199.1208n 200.1273863 1.36 1854.9087 1922.9949 1850.1075 1816.7209 1868.4177 1894.8874 1.36_245.1489m/z 245.1489251 1.36 7820.9244 7763.0690 7939.4102 7800.4472 7817.9397 7830.7262 1.36_283.1393m/z 283.1392513 1.36 1938.4660 1973.2223 1956.2590 1920.7825 1921.1968 2052.2358 1.36_286.1403m/z 286.1403268 1.36 6302.7944 6517.8214 6506.2780 6530.5933 6496.2498 6611.6872 1.36_351.1570m/z 351.1569948 1.36 1284.1398 1430.4167 1392.8655 1493.9042 1398.3975 1348.4124 1.36_357.2116m/z 357.2115815 1.36 1335.2232 1422.0896 1310.3559 1299.2395 1324.4640 1394.5753 1.36_601.2036m/z 601.2036063 1.36 167.3296 214.3073 192.5235 168.4643 207.2755 130.6980 1.36_82.0650m/z 82.06497097 1.36 83.3221 89.6728 87.6044 88.0459 86.3503 87.7431 1.37_215.1021m/z 215.1021021 1.37 1588.8355 1767.6153 1675.0417 1664.7228 1623.4095 1737.2216 C9H11NO4 DL-Dopa HMDB00609 HIGH 1.38_110.0611n 128.0700575 1.38 1827.4829 1817.9889 1828.6713 1876.9384 1820.8070 1839.1842 1.38_119.0374m/z 119.0373676 1.38 923.4259 950.1887 947.1411 929.7513 899.7390 949.4998 1.38_137.0799m/z 137.0798846 1.38 362.5505 415.2117 372.7533 392.8873 352.8613 358.4502 1.38_229.9742m/z 229.9742001 1.38 652.6388 515.5827 622.9063 625.1190 602.6778 622.3568 1.38_330.1167m/z 330.116702 1.38 537.1517 564.4453 551.3950 538.5060 549.1287 607.4406 1.38_331.0010m/z 331.000982 1.38 667.8790 684.5859 685.2214 623.0997 635.8971 669.1696 1.38_341.0464m/z 341.0463596 1.38 12398.9042 12505.8349 12653.2672 12563.7432 12423.8726 12539.3765 1.38_360.0246m/z 360.024561 1.38 2299.0700 2406.5613 2290.9844 2348.9873 2315.2053 2426.1484 1.38_376.0057m/z 376.0056941 1.38 1620.6673 1523.9938 1592.2119 1580.6187 1562.7074 1628.9196 1.38_376.1267m/z 376.1267431 1.38 503.0965 606.8105 557.8047 556.7343 577.2031 574.8627 1.38_657.0990m/z 657.0990334 1.38 256.0270 338.4003 278.9521 246.3217 280.4618 263.5077 1.38_84.0449m/z 84.04488254 1.38 2909.7350 2802.2981 2876.9183 2944.1090 2878.5139 2964.8572 1.39_146.1168m/z 146.1168065 1.39 472.7604 543.1169 493.6772 487.8442 496.7174 494.2243 C7H12O2 Dihydro-5-propyl-2(3H)-furanone MEDIUM 1.39_155.9745m/z 155.9745414 1.39 106.7638 42.3261 68.5555 64.0941 73.5422 50.9429 1.39_167.9968m/z 167.9968184 1.39 1122.1407 872.8599 993.8369 1067.2902 972.5225 1012.6610 1.39_183.9694m/z 183.9694387 1.39 309.1576 160.5107 256.1651 241.5866 222.2451 236.0114 1.39_302.0865m/z 302.0865332 1.39 6689.1844 6894.8085 6766.4291 6815.8589 6628.1282 6882.2222 1.39_87.0444m/z 87.04441929 1.39 313.8875 306.8975 332.3609 302.7721 317.6632 322.0029 1.39_96.0460m/z 96.04604895 1.39 925.0778 874.0774 959.9006 941.7863 905.0819 915.7907 1.40_327.1284m/z 327.128408 1.40 1098.9905 1328.6039 1330.1355 1251.2757 1261.1191 1245.1390 1.41_172.0404m/z 172.0403572 1.41 2255.4135 1985.3839 2184.5002 2269.4036 2125.2678 2192.2206 C5H11NO2S L-Methionine Methionine 16643 MEDIUM 1.41_188.0051m/z 188.005075 1.41 560.1482 488.6568 526.7761 510.6324 512.1750 519.0404 1.41_226.0688m/z 226.0688242 1.41 2126.7464 2032.2120 2121.5166 2148.4158 2116.4436 2101.1836 1.41_234.0130m/z 234.0129711 1.41 325.9943 271.6107 296.3492 323.1352 270.1250 309.2080 1.41_269.0732m/z 269.0732341 1.41 3283.1535 3050.8456 3179.1966 3208.4537 3119.4047 3258.4839 1.41_689.2082m/z 689.2082297 1.41 300.7775 390.3983 371.6081 377.3698 384.9764 323.4806 1.42_232.5084m/z 232.5083762 1.42 41.9310 43.3946 48.2390 49.7672 51.8950 33.5318 1.43_219.0259m/z 219.0258941 1.43 1351.3757 1191.8428 1332.1791 1335.7782 1319.4394 1303.3973 1.43_86.0611m/z 86.06111167 1.43 106.8471 99.9916 103.0015 102.1622 103.7898 96.5704 1.45_199.1206n 200.1275851 1.45 1668.0417 1700.9625 1650.6961 1651.4272 1695.1613 1660.7663 1.45_246.1333m/z 246.1332619 1.45 1221.8507 1212.0712 1261.7162 1327.9474 1241.0244 1221.8117 1.45_262.1281m/z 262.1280623 1.45 36659.3183 37480.3364 36929.4585 38669.2317 37885.4076 38371.9513 C11H19NO6 Lotaustralin Lotaustralin MEDIUM 1.46_149.0737n 150.0776064 1.46 27484.8024 28558.1439 27261.0709 27541.2217 28331.4329 29067.5863 1.46_160.1083m/z 160.1083229 1.46 805.9851 799.7584 721.3050 784.3325 870.6628 849.2190 C6H10N2O2 2-Nitromethylene-piperidine MEDIUM 1.46_206.0136m/z 206.0135657 1.46 1276.0214 1283.0873 1269.2771 1305.1754 1299.0840 1318.4587 1.46_282.1192m/z 282.1191874 1.46 44182.9323 46744.4225 44823.6978 45520.6660 46730.4154 48053.3784 C15H22O6 Toxin T2 tetrol MEDIUM 1.47_110.0613m/z 110.0612582 1.47 582.7573 562.4182 548.8579 580.0272 575.9792 592.1735 C6H9NO2 Nitro-methylene-cyclopentane MEDIUM 1.47_213.1359n 214.14346 1.47 12475.9799 13303.9239 12579.4150 12767.6882 13095.2921 13617.3734 1.47_247.1130n 248.1486222 1.47 5900.9604 5715.3334 5824.9233 5959.3236 5962.7291 6044.5450 1.47_329.0526m/z 329.0526153 1.47 760.4475 784.5872 803.4330 824.7670 771.7788 826.8503 1.47_346.0934m/z 346.0934352 1.47 959.1129 1029.4626 973.5962 929.4347 955.6269 993.9696 1.48_106.0655m/z 106.0654974 1.48 669.0505 663.3493 659.1682 672.3338 636.4777 672.3602 C7H9NO 2-Pyridine ethanol HIGH 1.48_137.0833n 121.039873 1.48 4181.1941 4209.2941 4112.1129 4113.4262 4237.1879 4269.4863 C8H11NO Tyramine Tyramine 15760 MEDIUM 1.48_163.1231m/z 163.12309 1.48 9363.0284 9520.3988 9437.3234 9790.2044 9831.6733 10046.1194 C10H14N2 Nicotine Nicotine 54-11-5 MEDIUM 1.48_503.0482m/z 503.0481997 1.48 1416.8955 1396.7545 1405.1289 1435.7478 1426.8224 1446.5075 1.49_158.0927m/z 158.0926572 1.49 2560.6724 2623.8081 2556.3250 2485.6984 2531.9767 2650.6983 C6H13N3O3 Argininic acid MEDIUM 1.49_166.0728m/z 166.0728157 1.49 63235.2792 69303.7398 62972.9078 57206.4784 65620.6558 69515.4518 C6H7N5O 7-Methylguanine 7-Methylguanine HMDB00897 HIGH 1.49_166.1780m/z 166.1779857 1.49 1235.4723 1524.7127 1235.1418 993.6169 1286.2247 1367.4790 1.49_196.0709m/z 196.07086 1.49 2979.5662 2931.9797 3009.1554 2974.2417 2968.9752 2951.0735 1.49_93.0449m/z 93.04485592 1.49 342.6450 334.9536 339.4401 347.1240 363.0592 367.3257 1.50_160.1332m/z 160.1331825 1.50 2277.3759 2284.9444 2268.6205 2146.7077 2323.0322 2321.1682 C8H14O2 2-Propenyl 3-methylbutanoate MEDIUM 1.51_111.0082m/z 111.0082374 1.51 622.3343 595.4580 639.3653 665.7163 631.4684 624.9517 C6N4 Tetracyanoethylene MEDIUM 1.51_168.9811m/z 168.9810501 1.51 367.7291 272.0762 356.0356 376.4647 373.3114 351.1678 1.51_183.1226m/z 183.1225916 1.51 82.0511 94.6666 122.0879 121.4827 116.3553 87.1345 1.51_187.1346n 171.1119748 1.51 961.2307 909.9245 883.6693 924.3215 913.5473 916.7270 C13H17N Selegiline 50217 MEDIUM 1.51_194.9589m/z 194.9589375 1.51 137.9449 86.2376 119.6948 113.0281 117.7867 111.8107 1.51_200.0225m/z 200.0224973 1.51 873.0760 872.7540 826.7589 896.9658 888.0843 940.6808 1.51_282.1888m/z 282.1887914 1.51 1305.9976 1609.8550 1567.5572 1503.0799 1557.4740 1206.9991 1.51_68.9981m/z 68.9981403 1.51 62.9282 52.1567 59.0235 67.4498 57.6346 49.8508 1.53_214.0820m/z 214.081951 1.53 2286.4784 2600.2121 2538.6088 2753.6172 2513.3782 2585.5732 1.53_346.1242m/z 346.1241543 1.53 13468.6635 15323.2957 14849.3214 16310.1125 14567.4600 14953.3166 C17H19N3O3S Omeprazole Omeprazole 7772 MEDIUM 1.54_163.0866m/z 163.0866118 1.54 828.1387 901.3888 853.8935 939.5225 891.4688 919.4174 1.54_176.1268m/z 176.1267969 1.54 247.2168 259.9098 260.3843 255.9848 250.3599 233.0518 1.55_102.0551m/z 102.0550663 1.55 152.5093 185.2229 158.5072 171.1022 149.4778 166.7718 C4H9NO3 L-Homoserine Homoserine HMDB00719 MEDIUM 1.55_160.1085m/z 160.1084762 1.55 200.7757 261.2430 222.6756 221.6072 246.5992 225.8570 C6H10N2O2 2-Nitromethylene-piperidine MEDIUM 1.56_316.0923m/z 316.092304 1.56 6037.3819 6294.7315 6099.8586 6115.5136 6131.5651 6137.4323 1.57_122.0606m/z 122.0605922 1.57 66.9392 72.4219 65.9640 67.0406 86.3731 81.5523 1.57_177.9998m/z 177.9997611 1.57 411.1308 428.6230 421.0432 442.3831 453.0322 435.1969 1.57_223.0202m/z 223.0202051 1.57 1049.7571 1141.5095 1128.4838 1178.4711 1127.9107 1103.8554 1.57_298.0547m/z 298.054698 1.57 2302.9181 2342.2838 2374.4491 2394.8978 2352.3430 2332.6302 1.57_411.1497m/z 411.1496979 1.57 1667.5524 1855.9233 1785.2517 1820.9601 1776.2830 1798.7423 1.58_208.0597m/z 208.0596806 1.58 644.2130 649.8562 662.0567 640.4453 633.0939 654.3727 C8H7NaO4 Sodium dehydroacetate MEDIUM 1.58_319.0648m/z 319.0647748 1.58 3822.7107 3739.0921 3753.8333 3691.2841 3666.1195 3688.7361 1.59_115.1002n 116.1073673 1.59 1119.0471 1165.4846 1185.7463 1176.5255 1165.9101 1150.3359 1.59_170.0561m/z 170.0561412 1.59 1098.2295 1150.7904 1134.8678 1154.0178 1152.1909 1137.2509 1.59_180.0527m/z 180.052665 1.59 679.4445 676.4431 658.4134 632.3355 640.7286 671.9272 1.59_231.0836m/z 231.0836076 1.59 1556.0248 1572.2663 1649.9573 1700.9934 1589.6041 1555.8008 1.59_314.0811m/z 314.0811144 1.59 4229.8703 4175.5337 4273.1595 4226.1034 4231.2749 4175.9133 1.59_324.0782m/z 324.0782323 1.59 968.7874 1056.0535 981.8106 951.8866 969.6993 1032.0359 1.59_99.1045m/z 99.1044935 1.59 124.7333 118.3579 137.7933 145.3944 148.7279 122.8993 1.61_146.0813m/z 146.0812848 1.61 2208.7316 2530.8818 2077.3186 2096.6955 2148.9102 2338.3329 C7H9N5 6-Dimethylaminopurine HMDB00473 MEDIUM 1.61_229.0282m/z 229.0282461 1.61 348.9476 323.4576 294.4846 324.2091 302.3247 339.5695 1.61_233.0542m/z 233.0541942 1.61 1747.6696 1755.7422 1728.4357 1647.5492 1758.1414 1774.5924 1.61_272.1329m/z 272.1328877 1.61 985.8649 1064.3508 955.5476 974.0595 967.9742 1096.7757 1.61_84.0812m/z 84.08122366 1.61 139.4778 141.9414 143.2972 149.7645 140.6508 147.4489 C5H9N tert-Butyl isocyanide MEDIUM 1.62_200.9481m/z 200.9480788 1.62 444.8900 397.1296 422.4992 414.8185 412.1521 376.3982 1.63_110.0353m/z 110.0353158 1.63 1995.4595 2209.4631 2080.9276 2007.5911 2050.8290 2191.1146 1.63_152.0370n 153.0414945 1.63 23018.4844 25466.2261 24084.4345 23732.5635 23467.9517 25224.8642 1.63_155.9742n 156.9813122 1.63 2964.6197 2500.0451 2839.3378 3129.0041 2779.5848 2832.6667 1.63_166.0725m/z 166.0724859 1.63 18875.1537 20496.8649 20076.7264 19940.9724 19199.4196 20486.6970 C6H7N5O 7-Methylguanine 7-Methylguanine HMDB00897 HIGH 1.63_209.5056m/z 209.5055715 1.63 43.6885 48.9093 47.3208 43.4007 48.7832 41.4604 1.63_254.0307m/z 254.0306676 1.63 637.0855 726.1492 656.4384 676.5201 748.6631 729.3354 C15H10O5 Apigenin Apigenin 18388 MEDIUM 1.63_72.0812m/z 72.0812166 1.63 1569.4607 1598.7824 1631.7217 1673.9992 1677.8325 1653.5388 C4H11NO Dimethylethanolamine Dimethylethanolamine 271436 HIGH 1.63_87.0465m/z 87.04653472 1.63 98.7166 76.4652 96.9215 102.1315 80.5700 91.7256 1.64_110.9758m/z 110.9758134 1.64 185.8121 137.4980 184.2386 182.3557 164.0282 178.4715 1.64_138.0914m/z 138.0914479 1.64 83.6146 109.4000 77.0718 75.7254 78.2021 87.6207 1.64_211.0028m/z 211.0027775 1.64 845.7735 716.2851 820.4345 917.8332 815.1200 854.6815 1.64_231.5191m/z 231.5191392 1.64 47.7599 52.3963 47.6291 54.0079 54.4308 64.3585 1.64_269.0180m/z 269.0180019 1.64 853.1810 911.3404 868.1588 854.7514 868.4815 909.5077 1.64_271.9624n 272.9696491 1.64 680.4483 552.1073 672.0046 643.0542 646.3999 641.1937 1.64_274.0009n 275.007252 1.64 3957.3315 3328.8976 3782.3130 4017.0296 3677.7258 3893.8406 1.64_329.0289m/z 329.0288623 1.64 2921.1427 2590.6038 2825.1237 2923.6643 2826.7586 2766.6364 C18H15As Triphenylarsine MEDIUM 1.64_333.0216m/z 333.0216196 1.64 967.4050 941.9096 989.4153 1001.8477 970.2203 933.2430 1.64_400.0658m/z 400.0657817 1.64 1471.1070 1468.2697 1414.2182 1470.6270 1444.1365 1520.3529 1.64_469.1049m/z 469.1048786 1.64 6564.2875 9119.7606 7397.2362 7649.2799 7876.6386 8195.0037 1.64_543.1039m/z 543.1038995 1.64 1229.2736 1611.7879 1366.8429 1356.3851 1440.4659 1463.2813 1.65_187.1807m/z 187.1806517 1.65 195.2428 203.1088 226.1375 207.0967 224.6547 195.2662 1.65_199.0186m/z 199.0186056 1.65 694.9297 534.6109 641.9968 685.9220 638.2368 603.4134 1.65_212.0536m/z 212.0535564 1.65 4396.0383 4441.6797 4265.8941 4434.2632 4429.0404 4582.6555 1.65_218.1124m/z 218.1123707 1.65 1010.4739 1053.4067 1001.0909 1012.0049 1041.4090 1020.6671 C13H18N2O2 Hyquincarb MEDIUM 1.65_229.1547m/z 229.1547146 1.65 1078308.5855 1114133.5952 1094721.2721 1119745.4651 1122899.7848 1131537.8437 C11H17NO3 Isoprenaline 64317 MEDIUM 1.65_229.1990m/z 229.1989936 1.65 7712.2263 9740.1594 9297.8118 8795.2390 8657.2126 9306.2122 1.65_229.2782m/z 229.2782153 1.65 12318.2152 15298.2984 12697.5696 12459.9277 12658.8415 11892.2306 1.65_259.1076m/z 259.1075672 1.65 2069.7457 2232.3436 2141.0121 2078.9275 2161.3638 2252.4249 1.65_369.2119m/z 369.2118835 1.65 1681.6481 1821.9834 1747.4334 1712.2085 1756.0492 1771.6472 C22H31N3O3 Taziprinone MEDIUM 1.65_664.1097m/z 664.1096723 1.65 296.0630 438.2054 363.1443 319.6766 347.0816 322.6571 1.67_113.0715m/z 113.0714687 1.67 522.2155 515.6524 540.1957 559.1604 557.7643 530.2548 1.67_159.0768m/z 159.0767575 1.67 1828.7570 1886.5344 1865.8062 1894.2487 1884.1179 1884.7287 C6H7NO3 Butenolide 4-Hydroxy-2-butenoic acid gamma-lactone MEDIUM 1.67_199.5468m/z 199.546775 1.67 52.0871 55.0372 40.8816 48.2291 58.2131 57.3344 1.67_306.1535m/z 306.1535383 1.67 1760.8302 1857.5870 1857.4842 1873.0872 1885.6928 1861.8504 C18H26O5 Zeranol MEDIUM 1.67_94.0655m/z 94.06548891 1.67 226.8149 226.5875 234.9566 231.0076 226.9968 240.6876 C6H7N Aniline Aniline 17296 MEDIUM 1.68_101.0604m/z 101.0603916 1.68 1426.9542 1549.3500 1421.1079 1415.4544 1497.6214 1542.7527 1.68_160.1087m/z 160.1086924 1.68 14224.4139 14586.5895 14803.2068 14960.1103 15196.9314 15259.6375 C6H10N2O2 2-Nitromethylene-piperidine MEDIUM 1.68_227.1024m/z 227.1023738 1.68 3781.5535 3833.5854 3918.5895 3890.7754 3923.3002 3916.0721 1.69_204.0633m/z 204.0632723 1.69 355.4356 321.6890 357.5891 321.9880 311.7386 354.1732 C9H11NO3 o-Tyrosine HMDB06050 HIGH 1.69_279.9564n 262.9530906 1.69 859.2685 543.2083 752.6240 768.4635 728.9845 736.9475 1.69_668.0257m/z 668.0256575 1.69 191.6356 188.2080 168.1817 193.8598 185.5588 200.3093 1.69_70.0656m/z 70.06557603 1.69 1780.0793 1877.7234 1810.7090 1814.7488 1817.0535 1857.8808 C4H7N Butyronitrile 51937 MEDIUM 1.69_731.0530m/z 731.0529506 1.69 116.7113 139.8414 160.2762 164.4676 145.4380 142.7533 1.70_107.0492m/z 107.0492426 1.70 184.2853 184.9837 163.4445 183.1300 183.8000 184.8202 1.70_123.0446m/z 123.0445588 1.70 6654.2472 6912.1566 6849.1869 6910.4401 6907.5350 6951.1496 C7H6O2 2-Hydroxybenzaldehyde 2-Hydroxybenzaldehyde 16008 MEDIUM 1.70_135.0721n 136.0760535 1.70 15507.3101 16688.0702 15922.1004 16025.9460 16432.2430 16517.8895 1.70_149.0708m/z 149.0708126 1.70 107.3737 91.5600 103.9395 115.5991 115.2285 109.3751 1.70_164.0479n 182.0817124 1.70 14041.7711 15332.7448 14509.1084 14747.6746 14865.3406 14822.4797 1.70_175.0866m/z 175.0865952 1.70 749.6291 719.4232 774.8806 750.5679 802.7543 743.8281 1.70_182.9967m/z 182.9966543 1.70 128.0802 82.6678 115.9519 125.1764 117.2306 115.2964 1.70_184.1076m/z 184.1076147 1.70 2152.3308 2231.8401 2217.2054 2195.5066 2248.5084 2236.0029 1.70_221.0916m/z 221.0916053 1.70 1040.3406 1176.2690 1055.0367 1047.1142 1081.7406 1109.8975 1.70_230.1127m/z 230.1126681 1.70 1504.9551 1615.7428 1546.8222 1551.4391 1605.6567 1581.4991 1.70_364.0627m/z 364.0626648 1.70 2958.2605 3454.3090 3075.8075 3146.8926 3160.7547 3294.3864 1.70_91.0549m/z 91.05485619 1.70 1659.9536 1746.4787 1711.5347 1704.8137 1762.4017 1735.8510 C7H8O p-Cresol P-Cresol 17847 MEDIUM 1.70_94.0425n 95.04991522 1.70 1580.4915 1683.7177 1603.1927 1607.4256 1669.8957 1651.1092 C6H6O Phenol Phenol 15882 MEDIUM 1.71_157.0901m/z 157.0901161 1.71 175.1823 222.9585 190.6055 179.8291 216.7959 190.5426 1.71_205.1365m/z 205.1365429 1.71 129.2474 149.0943 130.9573 134.8817 134.7323 123.6453 1.72_126.0553m/z 126.0553472 1.72 1046.7667 1025.9818 1234.1466 1362.6377 1216.3731 1015.0182 1.72_188.1642m/z 188.164169 1.72 251.5430 205.5900 238.6874 232.5295 226.5664 224.9023 1.72_202.1180m/z 202.1180039 1.72 13000.4249 13601.4922 13269.2910 12647.0703 13378.7439 13436.1922 1.72_300.1140m/z 300.1139847 1.72 2252.5595 2303.1108 2338.9635 2310.9903 2317.9283 2314.8225 1.72_322.0767m/z 322.07667 1.72 2988.6692 4629.3360 3534.0870 3624.3344 3774.8798 3824.4325 1.72_441.1649m/z 441.1649127 1.72 201.8217 249.3109 166.7353 220.0809 176.7220 186.1164 C19H20N8O5 Aminopterin 4-aminofolic acid 376180 MEDIUM 1.72_584.0315m/z 584.0315223 1.72 818.9775 1225.0133 927.9160 906.4952 943.0438 925.7728 1.72_639.1088m/z 639.1087702 1.72 138.0189 239.4737 184.3971 194.6608 167.5154 187.4843 1.72_696.0561m/z 696.0561382 1.72 439.3218 627.2811 504.4108 512.1271 573.3770 567.0520 1.72_905.0929m/z 905.092941 1.72 66.5571 265.9763 125.8794 129.1667 171.2192 156.4910 1.73_188.5137n 189.5211122 1.73 395.8770 372.6465 381.5838 413.5342 379.8544 431.9004 1.73_194.0453m/z 194.0452985 1.73 817.6185 776.8231 907.1558 939.1135 877.2220 835.0423 1.73_240.0502m/z 240.0501958 1.73 680.0636 718.0212 689.7665 624.2835 685.9720 700.5250 1.73_259.1643m/z 259.1642878 1.73 756.2380 729.6929 719.6966 740.7970 795.3414 735.8830 1.73_274.5410n 275.5388197 1.73 423.2193 422.6728 396.8941 417.2013 433.5309 450.4188 1.73_341.5518m/z 341.5518496 1.73 76.0756 108.2284 102.4509 97.0009 78.7984 114.7482 1.73_360.0247m/z 360.0246555 1.73 1839.6877 2068.9770 1875.2588 1881.6828 1961.1873 2101.6925 1.73_681.0918m/z 681.0917691 1.73 735.1408 1038.4909 891.8758 954.6263 949.3833 978.5127 1.73_779.0638m/z 779.0638448 1.73 187.3965 236.5331 196.6186 220.4209 219.9379 213.1119 1.74_111.0083m/z 111.008299 1.74 898.4699 868.2488 890.9931 894.8340 887.9198 910.1029 C6N4 Tetracyanoethylene MEDIUM 1.74_157.5130m/z 157.5130112 1.74 99.0440 100.1803 84.4274 112.5468 113.5932 115.9728 1.74_180.5155m/z 180.5155014 1.74 462.1089 504.1388 466.9905 501.4679 484.4381 482.0329 1.74_229.9739n 212.9706348 1.74 998.3266 855.0278 968.3563 1086.4025 938.7356 1032.2228 1.74_231.0839m/z 231.0839201 1.74 828.3465 753.5863 820.7219 933.0985 787.2125 801.2316 C10H17NO6 Linamarin Linamarin 16441 MEDIUM 1.74_283.5462n 267.5235998 1.74 277.1745 363.5064 297.4489 331.5374 328.6645 318.4870 1.74_322.0275n 345.0621446 1.74 2744.6674 2872.6636 2750.1931 2784.5689 2824.9672 2857.8013 1.74_357.9760m/z 357.9759771 1.74 97.0960 114.4935 98.4500 87.1590 105.8698 121.6020 1.74_386.9871m/z 386.9870847 1.74 951.5169 961.0497 960.3556 1087.2624 1039.9573 1046.1341 1.75_159.5110m/z 159.5110165 1.75 55.8569 21.8721 43.7569 44.1009 40.5067 37.3733 1.75_168.9814m/z 168.9813567 1.75 413.5431 320.1205 390.3111 419.8878 381.4013 382.9520 1.75_189.1257m/z 189.1257111 1.75 85.4874 103.1361 81.0620 78.4612 80.1273 94.8419 C13H19NO Diethylpropion Diethylpropion 4530 MEDIUM 1.75_383.1778m/z 383.1777862 1.75 129.7128 173.1314 175.3741 188.0767 194.5747 146.9009 1.75_402.9604m/z 402.9604053 1.75 369.9558 329.7026 344.3357 378.1672 357.2656 376.4282 1.75_431.6839m/z 431.6839119 1.75 25.7802 49.8439 31.4798 28.9316 70.9857 54.9530 1.75_632.0169m/z 632.0168575 1.75 179.8293 176.7708 210.0207 206.9711 169.8072 176.7264 1.75_68.9979m/z 68.99789745 1.75 149.6905 143.1511 144.9591 158.5580 151.3353 160.5993 1.76_127.0869m/z 127.0869361 1.76 144.5681 130.0132 131.4906 137.0666 135.6837 144.3708 C6H7NO 4-Aminophenol 4-Aminophenol HMDB01169 MEDIUM 1.76_84.0813m/z 84.08128512 1.76 171.1486 193.3494 196.8755 189.3735 187.6969 184.6166 C5H9N tert-Butyl isocyanide MEDIUM 1.77_140.1075m/z 140.1074627 1.77 138.6936 145.9703 159.7084 165.7044 166.0307 133.6431 C8H13NO Tropinone Tropinone MEDIUM 1.77_209.5060m/z 209.5060373 1.77 89.4015 71.9339 81.8480 95.5715 89.2446 84.7542 1.77_231.5252m/z 231.5252053 1.77 185.4441 150.3790 190.3435 191.4706 186.0243 181.3765 1.77_248.1488m/z 248.1488292 1.77 1837.5597 1895.0328 1821.6082 1932.1714 1895.7980 1939.4935 C10H19N5O Prometon 34934 MEDIUM 1.77_319.0264m/z 319.0263958 1.77 571.8921 534.7064 592.4216 557.6509 588.3783 547.7325 1.77_469.1055m/z 469.1054982 1.77 7248.1532 7394.9849 7449.1879 7221.9832 7270.8725 7205.2926 1.78_168.1121m/z 168.1121153 1.78 587.9785 604.7966 638.3404 658.4995 607.3548 639.3830 1.78_175.0278m/z 175.0277618 1.78 1900.7835 1594.8098 1815.6448 1971.9954 1917.9386 1734.2579 1.78_191.0007m/z 191.0006616 1.78 98.9863 82.6141 60.0773 86.6362 56.6421 44.4259 1.78_420.1968m/z 420.1968323 1.78 1925.7944 2286.1484 2084.5917 2099.4615 2115.3131 2057.2921 1.78_596.6720m/z 596.6719839 1.78 120.8753 131.1149 120.6198 128.0858 135.6597 163.8284 1.79_119.0165m/z 119.0165053 1.79 1111.9610 1194.1086 1154.6818 1167.0655 1175.2097 1181.1804 1.79_120.0583n 121.0655552 1.79 3112.3559 3287.5532 3221.2333 3228.5319 3152.8756 3211.3205 C8H8O Phenylacetaldehyde Phenylacetaldehyde 16424 MEDIUM 1.79_129.0196m/z 129.0196173 1.79 213.5606 164.5819 198.1825 226.7492 210.0481 182.6231 C5H6O5 Oxoglutaric acid Oxoglutaric acid HMDB00208 MEDIUM 1.79_242.0647m/z 242.0647015 1.79 522.9128 514.4434 496.1905 514.0823 522.9007 529.4538 1.79_515.1424m/z 515.1424068 1.79 181.4316 170.7172 178.9485 206.1595 166.0500 132.8024 1.79_77.0393m/z 77.039262 1.79 115.8621 116.3142 111.8773 104.3191 111.2308 115.1101 C6H6O Phenol Phenol 15882 MEDIUM 1.79_93.0702m/z 93.07017284 1.79 209.1135 228.9640 223.5060 202.0757 220.1920 223.6063 C7H8 Toluene Toluene 17578 MEDIUM 1.80_314.0966m/z 314.0966117 1.80 694.6133 689.1274 623.3618 615.4539 662.3626 668.0043 1.81_173.1652m/z 173.1651904 1.81 132.1004 135.2221 150.7026 147.3248 146.2477 136.5314 1.81_200.0270m/z 200.0269918 1.81 1495.2290 1547.1362 1477.7894 1457.2557 1569.2400 1558.2998 1.81_201.5119m/z 201.5119166 1.81 41.6716 46.7517 40.9045 50.2955 40.8185 43.7258 1.81_229.0025m/z 229.0024926 1.81 204.4183 161.5350 188.1752 204.9322 192.7698 197.1135 1.81_235.1190m/z 235.1190161 1.81 7881.1919 8320.0890 8045.1986 8388.0539 8053.3950 8412.9161 1.81_543.1053m/z 543.1053495 1.81 977.5877 1016.9131 961.8023 930.8132 977.9091 1016.4409 1.81_95.0127m/z 95.01273347 1.81 105.3902 129.8370 117.3449 125.6568 115.6013 122.0620 1.83_175.0870m/z 175.0869591 1.83 80.3237 98.4907 79.7581 84.6849 66.6321 83.3460 1.83_245.5216m/z 245.5216341 1.83 100.9192 92.1307 77.5143 72.4556 90.2532 94.6508 1.84_134.0579m/z 134.0578604 1.84 1293.9057 1347.1720 1248.0054 1244.6926 1336.8163 1319.0164 1.84_364.0627m/z 364.0626576 1.84 3078.5330 3110.4388 3156.3725 3122.3706 3144.3679 3096.2211 1.84_387.1402m/z 387.1401996 1.84 891.1003 1016.2064 902.9566 938.9592 907.9930 972.1904 1.84_426.0626m/z 426.0626434 1.84 2271.7614 2396.9875 2291.7202 2255.5639 2306.8722 2280.2395 1.84_730.1220m/z 730.1219588 1.84 159.4324 229.7841 152.5438 154.9241 140.5673 171.2595 1.85_136.0760m/z 136.0760144 1.85 5184.1507 5262.7934 5279.0683 5434.9888 5380.1093 5361.6818 C8H11NO2 Dopamine Dopamine HMDB00073 HIGH 1.86_216.0330m/z 216.0329717 1.86 20488.6288 21537.3698 20883.5328 21381.0301 21579.4020 21787.3335 1.86_234.9927m/z 234.9926765 1.86 313.2755 293.5518 309.9031 305.6424 303.9691 295.9065 1.86_299.9850m/z 299.9850145 1.86 3535.8169 3362.0428 3452.8891 3635.9276 3449.9617 3605.8281 1.86_315.9578m/z 315.9578488 1.86 498.5307 498.3944 458.2820 495.9492 429.9445 503.8556 1.86_443.1111m/z 443.1110804 1.86 2501.9264 3105.2132 2690.7344 2718.2458 2772.5415 2775.4638 1.86_523.0676m/z 523.0676323 1.86 4252.4353 5101.2002 4710.9330 4670.5643 4736.9736 4716.3598 1.86_542.5428m/z 542.5428344 1.86 309.5986 436.5266 395.1467 387.3030 357.7328 411.2308 1.86_561.0157m/z 561.0157128 1.86 4260.8150 4601.5424 4475.0480 4550.3180 4553.9799 4507.5778 1.86_658.9975m/z 658.9975389 1.86 285.9154 239.0689 278.3822 259.9173 247.5686 247.1156 1.86_704.1418m/z 704.1418117 1.86 1204.1137 1653.7188 1373.4967 1361.5475 1357.1688 1440.3813 1.86_783.0897n 784.0969679 1.86 1032.6164 1447.0553 1248.3775 1243.1645 1197.1740 1186.7731 1.86_838.0199m/z 838.0199401 1.86 152.9768 146.3565 170.9537 132.2691 146.7746 145.3241 1.87_145.5064m/z 145.5064451 1.87 59.7461 39.0151 48.6040 68.6576 56.5030 54.0008 1.87_161.1070m/z 161.1070123 1.87 58.4109 47.5364 61.5619 60.9964 48.1764 47.1939 C10H12N2 Tolazoline HMDB14935 HIGH 1.87_288.5296m/z 288.5296082 1.87 27.1312 28.8913 20.8128 10.9765 15.7465 32.1212 1.87_360.0235m/z 360.0235496 1.87 2250.4259 2078.5580 2271.2339 2246.5632 2303.4446 2209.8326 1.87_620.0968n 621.0537367 1.87 2119.5246 2295.8919 2194.8825 2189.2845 2306.7539 2258.0683 1.87_637.0283m/z 637.0282888 1.87 319.5638 323.7993 297.3089 299.2830 311.0469 292.5465 1.87_681.0858m/z 681.0857891 1.87 436.2992 439.7106 471.5656 413.4004 459.3320 427.6088 1.87_810.0691m/z 810.069121 1.87 176.0339 170.6196 172.3752 154.8757 195.1748 204.7136 1.87_822.0454m/z 822.0454203 1.87 860.9848 1138.9324 976.3199 1020.5678 1023.4156 1006.7904 1.87_866.1161m/z 866.1160655 1.87 636.9888 811.5467 664.4469 660.9613 714.1065 617.2155 1.87_882.0832m/z 882.0832048 1.87 836.2089 851.7073 826.4260 852.7705 895.9679 870.5876 1.87_897.0501m/z 897.0501398 1.87 260.7094 315.3343 228.0021 235.0083 257.6133 298.2581 1.88_102.0552m/z 102.0551764 1.88 118.2646 118.9689 115.6283 119.2918 129.0265 105.5002 C4H9NO3 L-Homoserine Homoserine HMDB00719 MEDIUM 1.88_110.0609m/z 110.0609455 1.88 381.3782 398.0078 396.7509 393.8228 418.7035 399.6003 C6H7NO 4-Aminophenol 4-Aminophenol HMDB01169 MEDIUM 1.88_148.0612m/z 148.0612185 1.88 1316.8681 1459.6888 1359.4880 1322.1870 1442.4726 1412.6587 C6H7N5O 7-Methylguanine 7-Methylguanine HMDB00897 MEDIUM 1.88_180.5157m/z 180.5156886 1.88 336.0459 272.4470 323.6158 303.9787 291.3588 321.4891 1.88_182.0757m/z 182.075683 1.88 8352.8743 9802.8790 8866.6487 8761.4969 8887.9678 9426.4166 1.88_211.0485n 212.0554877 1.88 1504.0251 1426.9029 1594.1908 1625.9684 1510.7439 1442.5056 1.88_237.1231n 220.1198491 1.88 6869.8804 7030.3035 6913.8627 7058.3955 7132.0904 7194.7269 1.88_261.0337n 262.0382616 1.88 29783.8127 31698.1032 30833.5505 31420.6700 31491.6055 31690.8572 1.88_276.0719m/z 276.0718667 1.88 4827.4016 4686.3582 4829.8613 4967.7210 4803.7582 4780.6435 1.88_288.0278m/z 288.0278011 1.88 163.9575 144.0463 149.2260 127.5617 158.8992 144.8723 1.88_311.5318m/z 311.5317538 1.88 67.0782 67.9274 55.7314 54.6994 60.9725 67.6625 1.88_321.0693n 344.0585106 1.88 10747.4244 10237.2668 10915.0572 10714.3030 10805.5946 10594.4998 1.88_341.5525m/z 341.5525398 1.88 23.1953 21.1290 6.9267 26.6772 27.5689 18.8472 1.88_572.0499m/z 572.049852 1.88 400.0268 414.5005 391.0120 368.1276 380.4253 398.3569 1.88_750.0109m/z 750.0108507 1.88 351.1147 310.8163 257.9686 328.7891 312.2728 340.2519 1.88_965.1659m/z 965.1658562 1.88 364.4225 641.6391 429.8580 397.2848 463.7409 434.0318 1.88_995.0837m/z 995.0836878 1.88 194.0836 304.0033 254.4316 254.5471 219.2431 239.7976 1.89_180.0522m/z 180.0521782 1.89 1825.0623 1989.4596 1830.6153 1722.3541 1850.3059 1965.9934 1.89_268.5315m/z 268.5315217 1.89 75.4827 83.7058 92.3011 87.0090 92.6995 77.7099 1.89_343.0489m/z 343.0488803 1.89 530.2929 581.9837 554.0818 550.7225 554.1876 563.2712 1.89_376.1281m/z 376.1280547 1.89 859.1855 1004.0987 873.6585 930.6488 961.9449 965.5739 1.89_86.0355m/z 86.03545665 1.89 48.7403 52.3574 49.6645 46.1099 42.3716 59.5864 1.89_920.0225m/z 920.0225412 1.89 410.4555 419.9187 372.7008 386.7698 396.7540 409.3810 1.90_100.0763m/z 100.0762744 1.90 1146.6430 1195.1347 1115.4557 1163.9453 1156.4484 1185.3899 C5H11NO2 5-Aminopentanoic acid 5-Aminopentanoic acid HMDB03355 HIGH 1.90_170.0931m/z 170.0930921 1.90 18570.5582 19524.1436 18753.7143 19111.7345 19566.0873 19592.9045 C7H8N2O2 N-(Hydroxymethyl)nicotinamide HIGH 1.90_214.5018m/z 214.5017773 1.90 84.5068 50.5566 90.9500 102.7406 77.4974 62.2135 1.90_238.5286m/z 238.5286404 1.90 299.0311 281.7125 284.3831 289.6441 289.8070 269.4410 1.90_267.5244m/z 267.5243629 1.90 44.5457 24.5699 26.4711 48.3595 39.6594 30.4435 1.90_331.0015m/z 331.0015058 1.90 232.4411 191.3073 202.1848 226.4980 195.4475 181.5396 1.90_411.5265m/z 411.526461 1.90 225.7844 301.0119 287.4485 252.5722 280.6493 280.1162 1.90_71.0599m/z 71.05989833 1.90 397.5770 425.7735 388.4202 415.9592 410.8757 422.7981 C3H6N2 Beta-Aminopropionitrile 27413 MEDIUM 1.90_798.0530m/z 798.053025 1.90 249.4944 264.5638 260.8947 250.3278 243.5542 261.1060 1.91_111.0083m/z 111.0083149 1.91 610.5751 529.2842 579.0369 575.5714 598.5248 568.2178 C6N4 Tetracyanoethylene MEDIUM 1.91_199.0213m/z 199.021267 1.91 1041.0845 897.1398 1045.5692 1075.1369 1018.7204 978.5896 C6H8O6 "D-Glucurono-6,3-lactone" Glucuronolactone HMDB06355 MEDIUM 1.91_202.1188m/z 202.1187536 1.91 8463.8496 8710.9989 8905.2079 9125.6818 8792.9314 8797.7991 1.91_212.9707m/z 212.9707213 1.91 1172.0865 851.9891 1110.7553 1190.7466 1039.7789 1024.7708 1.91_237.5053m/z 237.5053364 1.91 73.3722 63.3939 86.9033 85.9937 78.1506 72.7121 1.91_261.5330m/z 261.5329805 1.91 649.0251 569.8912 609.8963 628.6921 608.5172 637.1469 1.91_306.1533m/z 306.1533041 1.91 2310.2163 2514.2145 2413.8218 2509.4190 2460.0616 2520.8950 1.91_327.1539m/z 327.1539493 1.91 135.0707 188.3194 144.9074 157.3576 162.5355 160.7784 C18H24O4 Butyl cyclohexyl phthalate 36605 MEDIUM 1.91_386.9872m/z 386.9872462 1.91 953.7437 754.8310 799.8696 853.1085 846.8303 815.5121 1.91_68.9979m/z 68.99794165 1.91 107.2605 90.3764 104.9083 108.5532 109.0232 93.0374 1.91_88.0762m/z 88.07621667 1.91 184.3460 180.6122 201.2049 216.9063 199.5510 196.9555 C4H11NO2 Diethanolamine Diethanolamine 28123 MEDIUM 1.92_406.9595m/z 406.9595114 1.92 296.2537 242.9467 269.7545 283.6632 289.9091 295.9778 1.92_455.0165m/z 455.0164973 1.92 469.9641 402.7496 416.0491 430.8321 431.6494 406.1855 1.92_667.9921m/z 667.992054 1.92 181.5106 223.0054 218.3408 210.9173 177.4203 204.1555 1.92_732.0687n 755.0050155 1.92 646.1955 722.8468 730.8740 689.4172 681.8444 701.8942 1.93_115.0394m/z 115.0393893 1.93 192.4016 166.8357 197.6678 194.1307 185.7217 198.9190 C5H8O4 Glutaric acid Glutaric acid HMDB00661 MEDIUM 1.93_253.1133m/z 253.1133307 1.93 291.5486 292.0852 294.9673 293.9038 341.1705 272.5639 1.93_370.1707m/z 370.1706594 1.93 1092.4450 1289.9881 1188.8418 1281.3240 1254.4566 1183.5509 1.94_230.9818m/z 230.9818332 1.94 230.6109 149.1121 175.7632 219.7345 176.2273 168.1272 1.95_145.0506n 146.0604715 1.95 1389.9693 1456.1717 1405.8366 1440.5599 1426.1487 1404.0417 1.95_93.0572m/z 93.0571784 1.95 42.8256 44.7389 46.0193 49.3316 54.2780 41.5244 1.96_113.0231m/z 113.0230807 1.96 153.4816 161.3083 160.8699 153.2841 165.2871 149.9166 C5H6O4 Mesaconic acid HMDB00749 MEDIUM 1.97_259.9963m/z 259.9962798 1.97 121.3369 100.7321 109.7250 150.4731 118.7105 122.5140 1.97_271.9907m/z 271.990719 1.97 241.8560 214.5548 265.0511 283.3194 246.6435 226.3786 1.98_107.0513m/z 107.051323 1.98 329.3829 349.5661 341.7151 316.7173 367.5524 323.8855 1.98_183.1124m/z 183.1124113 1.98 355.9241 346.8912 406.8859 364.3590 325.6810 370.6991 C9H14N2O2 1-(Cyclopropylmethyl)-2-(nitromethylidene)pyrrolidine MEDIUM 1.98_196.1329m/z 196.1328905 1.98 100.5859 109.4967 106.4731 103.0305 114.4078 116.1557 1.98_217.1538m/z 217.1538429 1.98 149.6362 165.5681 146.2715 136.8894 144.5681 153.8085 1.98_302.9843m/z 302.984268 1.98 504.3706 366.2560 461.8086 478.6838 425.9506 455.0070 1.98_86.0970m/z 86.09704603 1.98 100.9936 96.9163 108.1754 109.3449 106.5716 99.3572 1.99_132.1006m/z 132.1006422 1.99 138.5588 116.5303 133.3915 149.7452 152.1058 141.5487 C6H13NO2 D-Leucine HMDB13773 MEDIUM 1.99_149.0619m/z 149.061898 1.99 207.8410 232.7668 236.2046 236.6691 230.8807 234.9795 1.99_158.0438m/z 158.043811 1.99 380.8364 334.7545 341.8439 325.0548 356.8443 356.4556 C6H9NO5 N-Acetyl-L-aspartic acid N-Acetylaspartic acid HMDB00812 MEDIUM 1.99_172.0249m/z 172.0249461 1.99 414.1715 457.1676 360.7207 322.8468 369.4778 476.8396 1.99_188.1640m/z 188.1640458 1.99 105.3948 101.4401 116.6039 106.8125 111.7478 95.1552 1.99_231.1888m/z 231.1888373 1.99 626.3559 615.1536 595.4747 716.7839 663.9236 697.1373 1.99_463.1650m/z 463.1650436 1.99 1069.9832 1372.2248 1156.9829 1226.4242 1209.2530 1243.6583 10.00_111.0211m/z 111.0211217 10.00 131.8714 105.6478 115.9318 139.0569 120.9437 116.2326 10.00_414.3355m/z 414.3354818 10.00 171.3127 489.2077 407.9211 534.8043 247.7615 427.2807 10.00_471.1532m/z 471.1531767 10.00 1931.5282 2012.9308 1945.0428 2010.0489 2003.1139 1908.3745 10.02_151.1120m/z 151.1120429 10.02 859.0160 870.3178 857.0688 894.7033 861.7991 829.2225 C10H14O 2-Tert-butylphenol MEDIUM 10.02_238.1152m/z 238.1152385 10.02 3360.9354 3190.1802 3252.0881 3335.6923 3240.9721 3239.0081 10.02_277.0417m/z 277.041652 10.02 182.1099 145.0524 152.8998 142.1107 161.7437 166.7474 10.02_317.2028n 318.2082863 10.02 5422.7425 6243.1265 5737.4316 5839.1540 5796.6611 5677.7718 10.04_142.0057m/z 142.0056828 10.04 47.5868 26.3484 52.7732 30.0123 29.4371 26.1855 10.04_338.2324m/z 338.2324159 10.04 15567.1397 18798.5508 16752.4980 17741.5357 16840.5858 17541.6056 10.04_444.2269m/z 444.2268824 10.04 4370.9876 4243.2894 4270.7522 4376.6428 4150.4646 4199.5170 10.05_411.0965m/z 411.0964511 10.05 1573.6739 1504.4075 1673.5477 1491.6356 1644.8488 1585.4162 C16H18N4O7S Bensulfuron-methyl MEDIUM 10.06_217.0329m/z 217.0329127 10.06 710.4568 640.0083 693.8211 667.5584 696.1548 674.5413 10.06_296.2129n 297.2206057 10.06 1264.1856 1501.5089 1346.2460 1346.8891 1330.5826 1356.1033 10.06_477.2493m/z 477.249341 10.06 4117.7907 4170.4454 4160.1845 4093.5362 4203.8646 4205.6747 10.06_589.2622m/z 589.2622048 10.06 2720.2289 2691.1469 2629.4733 2678.1894 2721.9788 2698.0469 10.07_255.2098m/z 255.2097892 10.07 951.9751 1064.6053 1005.3680 1042.1202 1041.8397 1039.7537 10.07_281.1343m/z 281.134303 10.07 5933.9526 6001.2681 5901.6110 5873.2949 6036.1214 5995.7734 10.07_490.2414n 491.2444162 10.07 29424.5331 28851.5446 28777.2136 29847.4241 29157.6519 29148.0249 10.07_607.2068m/z 607.2068174 10.07 2106.5505 2169.2304 2132.6971 2058.5484 2097.0397 2076.2769 10.07_973.3924m/z 973.3924234 10.07 124.0417 363.6950 226.7427 219.4685 291.7952 288.7124 10.08_246.1527m/z 246.1526849 10.08 197.1330 239.4876 232.5169 220.5210 239.7896 248.0775 10.08_254.1502n 255.15743 10.08 8280.3496 8307.6140 8409.3360 8461.3967 8468.6748 8494.8115 10.08_267.2100m/z 267.2099795 10.08 88.5336 131.3632 142.4124 131.5971 140.7645 118.8707 10.08_314.2325m/z 314.232544 10.08 108260.3159 126455.2774 121271.8013 119534.2869 121615.9239 120947.7533 10.08_314.3778m/z 314.3778333 10.08 1388.3699 1999.1104 1634.4652 1586.5091 1618.8013 1440.4196 10.08_901.3465m/z 901.3465067 10.08 290.9765 597.9850 294.8360 335.9290 332.9142 324.4781 10.08_971.3875m/z 971.3875421 10.08 231.8016 648.6368 456.6512 288.6751 410.3471 441.4520 10.09_139.1124m/z 139.112384 10.09 127.5982 104.1322 111.3591 130.2547 119.1816 113.2629 C9H16O2 4-Hydroxynonenal 58968 HIGH 10.09_194.8946m/z 194.8945822 10.09 168.8019 108.2984 128.7885 109.5483 124.3654 126.3030 10.11_271.2043m/z 271.2042928 10.11 1316.2755 1499.3085 1464.1820 1443.4654 1470.7809 1481.0941 C19H29NO Procyclidine 8448 HIGH 10.11_287.1430m/z 287.1429788 10.11 3039.7308 3123.0114 3113.1630 3127.6596 3056.2141 3109.9366 10.12_179.1433m/z 179.1433321 10.12 226.0806 229.3744 213.7745 230.8947 219.7408 202.6407 10.12_290.1624m/z 290.1624307 10.12 4713.1984 4691.2497 4562.5469 4759.4089 4607.5675 4685.7360 10.12_347.6281m/z 347.6280546 10.12 13.0369 55.6681 34.7215 64.4020 41.3351 45.0347 10.12_455.2150m/z 455.2149754 10.12 20296.0165 20738.5586 20347.8548 20801.1556 20436.4770 20519.6521 10.12_526.3044m/z 526.3043822 10.12 4924.0559 5014.4812 4920.8209 5012.0232 5155.9318 5086.9873 10.12_640.2496m/z 640.2496399 10.12 7483.2951 7680.7027 7462.2504 7967.6930 7601.2846 7579.5530 10.14_178.1226m/z 178.1225914 10.14 282.9773 246.4956 280.0407 232.8050 266.9157 261.1078 10.14_220.1827n 203.1793962 10.14 265.3517 313.7848 284.2537 248.7856 281.2102 290.7362 10.14_246.2425m/z 246.2424983 10.14 1157.2078 952.3850 1063.9458 1182.6626 1069.3861 1081.0221 C14H28O2 Myristic acid Myristic acid 28875 MEDIUM 10.14_262.0759m/z 262.0758585 10.14 2727.1156 2697.4045 2775.3460 2706.4778 2806.7119 2798.0487 10.14_277.0404m/z 277.040431 10.14 560.4527 569.8529 556.1029 571.2285 567.2387 536.3893 10.14_283.2407m/z 283.240713 10.14 567.6879 606.5331 614.6034 597.6651 580.2103 633.1594 10.14_334.6257m/z 334.6256554 10.14 303.4698 282.3258 268.6409 233.9596 269.1794 283.4846 10.14_355.2358n 356.2431215 10.14 51585.9897 61248.1120 57532.4110 57356.6787 57989.1698 57746.1864 10.14_602.2939m/z 602.2938915 10.14 12319.0555 12586.7045 12371.0904 12541.7481 12485.1135 12250.5596 10.15_563.2743n 581.2314436 10.15 14611.6310 14365.5034 14523.2965 14515.4556 14561.6608 14386.2448 10.15_79.0551m/z 79.0550554 10.15 95.0631 104.5726 94.6028 88.3796 93.3861 84.1776 C6H8O "2,5-Dimethylfuran" MEDIUM 10.15_95.0498m/z 95.04978587 10.15 103.4325 113.1804 117.3505 74.2538 115.8227 98.4793 10.16_641.3404n 642.3476954 10.16 11809.6261 13209.0910 12546.9077 12252.7755 12615.3248 12573.3067 10.16_680.2960m/z 680.2960212 10.16 3204.4739 3333.5931 3250.1783 3299.4558 3268.2276 3332.1729 10.16_686.3033m/z 686.3032721 10.16 1418.7543 1465.2197 1486.9802 1441.9531 1484.2245 1461.2188 10.16_695.2813m/z 695.2813316 10.16 2829.2596 2927.1731 2932.8577 2976.6051 3012.0176 2919.6972 10.17_199.1383m/z 199.1383255 10.17 207.3556 362.0471 266.3510 301.4018 199.2560 273.9215 10.17_359.6241m/z 359.6241416 10.17 62.7027 55.5998 62.5068 75.9666 47.6673 57.4300 10.17_465.3029n 466.3117729 10.17 1855.3865 2187.5375 1975.8477 2027.9810 1998.9196 2030.3365 10.17_828.2850m/z 828.285049 10.17 331.4846 553.4278 430.1762 361.4178 395.1818 236.3327 10.18_201.1635m/z 201.1634607 10.18 154.5010 177.5794 159.6300 157.7538 200.0938 139.2348 10.18_346.2585m/z 346.2584903 10.18 5813.8001 7045.7144 6555.9608 6473.5262 6583.0636 6625.3953 10.18_881.3263m/z 881.32629 10.18 541.0330 918.4701 616.5428 598.1168 680.7442 441.7372 10.19_331.2246m/z 331.224602 10.19 8630.3826 9175.8043 8674.6968 8762.6111 8741.3501 8944.5295 C21H30O3 17-Hydroxyprogesterone 17alpha-hydroxyprogesterone 17252 HIGH 10.19_507.2505m/z 507.250487 10.19 14010.2228 13496.6847 13679.4011 14116.9807 13791.4611 13916.3993 10.19_560.3045m/z 560.3044963 10.19 7438.0237 7753.3660 7519.4744 7623.4504 7418.4193 7387.9498 10.19_565.2604m/z 565.2603689 10.19 84772.1623 88812.8402 86523.1521 87605.6008 87430.5173 87881.5392 10.19_586.2399n 609.2457834 10.19 17525.0421 17213.9548 16963.6630 17732.3175 17058.2339 17307.8430 C31H38O11 Baccatin III Baccatin III HIGH 10.19_597.2722m/z 597.2722073 10.19 2660.9004 2584.7784 2619.6260 2691.3461 2621.0189 2607.9180 10.19_599.2485m/z 599.2485071 10.19 14811.8026 14196.5263 14376.2505 14566.6674 14219.2672 14281.3258 10.19_604.1881n 627.2336794 10.19 20373.9531 20585.8386 20745.6380 20465.1342 20863.9626 20521.0539 10.19_607.1969m/z 607.1968616 10.19 1118.0393 1094.3677 1114.2111 1080.7510 1142.7892 1102.0136 10.19_611.2613m/z 611.2612632 10.19 2499.0592 2356.3273 2428.7808 2470.0541 2420.4035 2424.5216 10.19_612.2226n 613.2566719 10.19 14229.0277 14008.5211 14219.8974 14172.2598 14149.7897 13895.0332 10.19_726.1758m/z 726.1758383 10.19 1260.9244 1232.8520 1248.9247 1248.1361 1273.6643 1161.8011 10.19_890.3134n 873.3100695 10.19 919.2392 1926.9512 1181.7167 1089.1130 1184.0194 1259.7331 10.19_901.3376m/z 901.3376459 10.19 348.8255 704.4422 566.2670 436.3742 382.5241 471.8264 10.19_909.3855m/z 909.3855194 10.19 1049.3343 1892.9253 1425.3853 1307.1676 1359.5222 1383.1269 10.19_925.3573m/z 925.3573308 10.19 640.8037 1298.4140 954.9503 881.7184 964.2763 751.0459 10.19_932.3644m/z 932.3644344 10.19 138.1465 557.8338 315.9364 256.0404 486.0118 232.6878 10.20_885.3739m/z 885.3739274 10.20 854.5375 1394.7854 1111.6619 1007.4660 1112.0713 1053.9689 10.21_478.2075m/z 478.2075462 10.21 12904.4045 13174.3283 12961.7326 13163.5272 12875.2654 13011.4854 10.21_558.1921m/z 558.1920946 10.21 2862.6049 2987.1822 2866.3528 2936.5387 2753.8076 2916.0844 10.22_194.8949m/z 194.8949064 10.22 344.2749 228.9429 279.7871 278.5077 255.3996 278.0420 10.22_206.0977n 207.0946749 10.22 2659.2271 2559.3813 2670.7053 2541.6909 2565.3191 2590.5409 10.22_343.1437m/z 343.1437007 10.22 3267.5561 3319.9779 3385.0410 3394.0740 3357.0851 3332.7826 C21H23F2NO2 Etoxazole 39329 MEDIUM 10.22_359.1093m/z 359.1093035 10.22 1760.8007 1650.9223 1701.6175 1655.5013 1659.6046 1665.5237 10.22_403.1495m/z 403.1495101 10.22 3142.0742 3250.6659 3140.3126 3171.9464 3159.6740 3199.0980 10.22_438.1625n 439.1698055 10.22 8405.6147 8562.1582 8730.8298 8363.4635 8642.6885 8423.1374 10.23_107.0860m/z 107.0859536 10.23 419.2076 446.0515 441.8412 439.7374 430.0721 423.6149 C8H10 p-Xylene p-xylene 27417 MEDIUM 10.23_135.1175m/z 135.1175359 10.23 2758.0451 3121.0946 2909.8776 2971.1720 2863.9185 2954.5503 C10H16O Alpha-Pinene-oxide HMDB03667 MEDIUM 10.23_170.1315n 153.1282045 10.23 7316.3530 7850.4627 7531.0032 7672.8495 7559.8083 7711.9333 C10H18O2 4-Hydroxydecenal MEDIUM 10.23_187.1478m/z 187.1478495 10.23 607.9740 671.0554 590.4817 603.4519 568.5254 592.7996 C14H20O "2,4-Di-tert-butylphenol" MEDIUM 10.23_225.1481m/z 225.1481215 10.23 286.3429 253.7967 258.6864 252.6025 231.5346 225.4413 10.23_231.1412m/z 231.1411921 10.23 18150.9159 20951.4333 19403.2317 19956.4198 19290.2451 19779.5894 10.23_249.1100m/z 249.1099654 10.23 3159.5490 3197.7433 3121.5077 3258.5136 3235.1488 3209.2623 C14H16O4 Monocyclohexyl phthalate 7517-36-4 MEDIUM 10.23_271.1063m/z 271.1062559 10.23 4878.2639 4983.1230 4939.9434 5029.8839 4852.3761 4910.3561 10.23_291.1204m/z 291.1204432 10.23 5906.0923 6440.4800 6025.5030 6021.4422 6020.4518 6181.5246 C16H20O6 Mono-2-ethyl-5-carboxypentyl phthalate 40809-41-4 MEDIUM 10.23_360.2724m/z 360.2724209 10.23 1872.6018 2168.2336 2072.2851 2071.1968 2060.1350 1964.5713 10.23_465.2029n 449.180272 10.23 5180.6755 5333.8102 5224.3647 5308.8137 5248.8748 5275.0485 10.23_95.0862m/z 95.08615424 10.23 284.9676 303.3583 302.0356 298.1918 305.7745 285.9279 C7H12O 2-Heptenal MEDIUM 10.23_97.0653m/z 97.06533912 10.23 2134.7996 1787.6993 1934.7354 2034.4665 1959.3482 1897.4645 C6H10O2 4-Hydroxyhexanal MEDIUM 10.24_110.0736n 93.07030788 10.24 411.5633 447.6587 431.0245 422.1702 436.4193 399.2080 10.24_111.1174m/z 111.1173763 10.24 79.4030 81.8453 76.7497 68.3733 80.6800 88.4731 C8H16O 1-Octen-3-Ol 46735 MEDIUM 10.24_69.0705m/z 69.07049454 10.24 91.7797 101.2187 110.5070 81.9581 103.6663 103.9121 10.24_83.0862m/z 83.086244 10.24 61.1300 70.9725 65.3051 73.1149 63.5944 69.9157 C6H12O Cyclohexanol Cyclohexanol 18099 MEDIUM 10.25_247.9301m/z 247.9301318 10.25 315.9881 238.9085 283.2352 280.8389 280.4720 262.5065 10.26_384.2723m/z 384.2723075 10.26 535.4531 620.8306 515.5593 501.8801 652.3236 511.7127 10.27_255.1402m/z 255.1402354 10.27 2393.0226 2334.9144 2331.9660 2364.3189 2292.8830 2383.7643 10.27_262.8522m/z 262.8522084 10.27 313.7690 200.8995 236.4081 224.5506 224.3772 229.9595 10.27_400.2676m/z 400.2676395 10.27 2707.6251 2902.6551 2795.4423 2768.5969 2753.9863 2758.4067 10.27_98.9867m/z 98.98667237 10.27 80.8772 66.4312 101.8596 76.3705 132.8168 106.7078 10.28_167.0857m/z 167.0857065 10.28 2737.0614 2861.0373 2827.3583 2783.3736 2811.2863 2794.9405 C13H10 Fluorene Fluorene 28266 MEDIUM 10.28_272.9069m/z 272.9069027 10.28 110.6399 39.3811 62.2844 67.0537 50.4516 47.0431 10.28_281.2255m/z 281.2255275 10.28 110.2345 136.4468 118.1717 105.0774 134.4698 96.7408 10.28_369.1154n 370.1226886 10.28 15871.4092 18598.6494 17285.9455 17349.5916 17245.8136 17350.5023 10.28_427.1374m/z 427.1373755 10.28 2924.1315 3220.9990 3134.6048 3030.0922 3157.4598 3003.8707 10.28_443.1021m/z 443.1020678 10.28 594.4163 658.8755 596.1159 604.3377 573.4433 556.1668 10.30_331.2247m/z 331.2247411 10.30 9724.5458 10804.3053 10175.7756 10194.2757 10241.3647 10307.4284 C21H30O3 17-Hydroxyprogesterone 17alpha-hydroxyprogesterone 17252 MEDIUM 10.30_507.2546m/z 507.2545584 10.30 4187.1607 4245.8970 4122.1178 4340.7770 4121.2329 4201.8745 10.30_565.2620m/z 565.2619984 10.30 18286.1881 20071.5617 18922.3018 19535.1438 19139.2251 19294.0448 10.30_581.2318m/z 581.2318078 10.30 6055.2401 6025.9308 5887.0181 6105.9897 5859.4012 5920.1624 10.30_596.1947m/z 596.1946699 10.30 3438.3138 3600.2561 3342.3077 3426.9299 3432.9695 3387.0206 10.30_604.2506n 627.2336933 10.30 11182.7610 11349.5421 11122.9449 11252.4661 11382.6078 11234.7370 10.30_607.1962m/z 607.1961881 10.30 1537.1543 1535.6719 1556.2686 1519.5322 1633.1053 1553.3531 10.30_609.2103m/z 609.2102985 10.30 1767.4231 1774.2307 1798.1299 1809.7162 1843.6913 1773.1167 10.30_803.3430m/z 803.342963 10.30 701.5624 879.5833 696.5552 751.0245 721.5091 716.7831 10.31_205.1588m/z 205.1588305 10.31 551.2994 629.7231 532.3918 583.2860 577.3276 603.3633 C14H20O "2,4-Di-tert-butylphenol" MEDIUM 10.31_245.1144m/z 245.1144087 10.31 4337.3925 4910.3307 4548.7526 4374.9165 4546.2508 4412.6643 10.31_289.0752m/z 289.0751501 10.31 1371.1772 1289.2725 1353.0097 1395.5127 1337.9129 1435.1857 C11H20N3O3PS Pirimiphos-methyl CHEBI:38843 MEDIUM 10.31_483.1273m/z 483.1272652 10.31 2741.7847 2560.1940 2668.8826 2727.0373 2852.6423 2735.2176 10.31_695.3012m/z 695.3011898 10.31 3032.3438 3052.2297 2978.2865 3071.7907 2978.5139 2952.9024 10.31_848.2860m/z 848.2860393 10.31 64.9841 178.3262 116.8254 126.6042 139.1158 122.1914 10.31_885.2710n 903.3112626 10.31 390.8018 772.4818 453.5754 466.9461 482.0070 539.5917 10.31_892.3650n 893.3722434 10.31 569.6377 1270.8096 907.5062 928.4215 924.5446 856.7501 10.31_893.2811n 877.3187062 10.31 501.9919 867.2321 555.4779 754.1211 718.7429 762.7461 10.31_907.3769m/z 907.3768537 10.31 791.1443 1383.7014 1042.3985 1163.0251 1127.9398 1002.5722 10.31_913.3569m/z 913.3569416 10.31 233.2429 499.3285 278.7838 374.3780 359.4255 283.0631 10.31_948.3386n 931.3353132 10.31 601.4651 1291.7320 705.7649 927.2169 780.8634 749.1026 10.32_139.1122m/z 139.1121522 10.32 368.2063 331.5602 345.5838 341.5079 332.1916 371.8856 C9H16O2 4-Hydroxynonenal 58968 MEDIUM 10.32_223.1690m/z 223.1689929 10.32 3476.1835 3976.0054 3574.6367 3609.9792 3656.8037 3759.0420 10.32_241.1030m/z 241.1029505 10.32 3324.6930 3112.7134 3233.7890 3291.7642 3231.2072 3235.5803 10.32_350.2326m/z 350.2325861 10.32 34514.4301 41614.7065 38127.6248 38632.3651 37948.8155 38560.5364 10.32_457.2049m/z 457.2048969 10.32 60968.4556 66357.1956 62894.5350 63409.0167 64415.9368 63860.1942 10.32_473.1703m/z 473.1703417 10.32 16298.3672 17077.6056 16828.5834 16447.6084 16997.5380 17080.4716 10.32_488.1366m/z 488.1365584 10.32 4515.0830 4758.8688 4618.7856 4523.1766 4701.4305 4524.3692 10.32_497.1375m/z 497.1375441 10.32 2180.5870 2320.0371 2211.0981 2212.2958 2306.1492 2291.3299 10.32_499.1344m/z 499.1344062 10.32 1619.6634 1755.5729 1763.7259 1731.1063 1731.4799 1787.1900 10.32_531.2111m/z 531.2111252 10.32 25985.4284 27261.4976 26374.4933 26758.1106 26903.9343 26694.7977 10.32_563.1402m/z 563.1401853 10.32 632.8800 599.7130 626.5616 589.5099 685.2209 587.2787 10.32_83.0862m/z 83.08621647 10.32 133.5784 155.2898 144.7334 121.7343 142.6769 136.1973 C6H12O Cyclohexanol Cyclohexanol 18099 MEDIUM 10.32_843.2667m/z 843.266681 10.32 488.2085 782.6943 540.5735 555.6934 517.9515 589.3188 10.32_922.3303m/z 922.3302978 10.32 346.3691 714.4718 476.5515 456.0195 534.7037 517.4502 10.32_936.3151n 937.3223635 10.32 226.5434 484.7901 281.9904 277.8499 293.7469 344.4200 10.32_960.3022m/z 960.3022349 10.32 219.5183 441.8020 314.7093 263.5558 400.2926 232.9362 10.32_965.3793m/z 965.37933 10.32 168.5248 459.1246 271.2193 158.8308 217.1125 222.5754 10.32_981.3792m/z 981.3791775 10.32 401.0804 827.1986 661.5628 585.5179 625.2023 542.3583 10.32_986.3236n 987.3766143 10.32 331.5903 777.1667 464.1655 478.1347 523.8040 346.9995 10.32_99.0808m/z 99.08080848 10.32 69.3781 78.5895 71.7723 77.6768 53.6821 84.1976 C6H12O2 "2,2-Dimethylbutyric acid" MEDIUM 10.33_316.2479m/z 316.2479426 10.33 15162.8724 17687.1993 16566.7512 16675.8001 16213.3759 16593.9047 10.33_359.1696m/z 359.1695877 10.33 3315.1238 4196.3813 3289.7315 4853.1022 3337.2455 3867.3631 10.33_542.2761n 543.2610256 10.33 30961.7185 30537.8583 30375.5206 31219.9477 30552.8881 30598.5215 10.33_547.1726m/z 547.1725626 10.33 2089.0275 2128.0528 2166.4077 2028.7917 2125.5925 1998.2488 10.34_74.9539m/z 74.9539225 10.34 68.2847 52.2719 61.0719 41.5572 61.5631 34.9469 10.36_247.9318m/z 247.9318041 10.36 417.4183 326.4836 353.2053 373.1855 373.9014 364.0932 10.36_402.2847m/z 402.2846668 10.36 11150.1207 13753.1130 12360.2881 12537.7338 12579.4539 12375.9838 C26H42O4 Diisononyl phthalate 35459 MEDIUM 10.36_495.1609m/z 495.1609406 10.36 1569.7721 1723.6415 1703.2194 1667.9609 1795.6683 1723.5217 10.37_369.2743m/z 369.2742685 10.37 357.6222 520.5132 396.3891 389.9166 415.8901 408.8852 10.37_384.2732m/z 384.2731819 10.37 326.4577 466.7630 390.9708 317.4003 384.8220 444.1061 10.37_402.0983m/z 402.0983163 10.37 251.1278 263.8881 265.3236 117.9919 207.3710 193.0725 10.38_217.1586m/z 217.1585544 10.38 360.3395 396.4879 380.4306 349.1259 358.1665 339.5505 10.39_253.1924m/z 253.1923964 10.39 927.8217 1032.2317 939.8225 928.1326 969.2780 971.5406 C14H21NO2 "3,5-Diisopropylphenyl methylcarbamate" 27689 MEDIUM 10.39_271.2043m/z 271.2043025 10.39 2514.2428 3010.1556 2454.2641 2803.8695 2524.6657 2694.1054 C19H28O2 Testosterone Testosterone 17347 HIGH 10.39_447.2310m/z 447.2309696 10.39 4229.0339 4200.3880 4260.7151 4154.9292 4282.8449 4212.8002 10.39_482.2460n 466.2326986 10.39 25184.6785 25133.0763 24905.9185 25108.6255 25264.9365 24903.7928 10.39_955.3948m/z 955.3947645 10.39 267.9952 429.1225 335.3388 314.8424 407.7720 330.4883 10.40_237.5897m/z 237.5897182 10.40 166.9910 180.3780 166.7527 163.2358 163.8321 187.6035 10.40_833.3202m/z 833.3201719 10.40 2671.2421 3731.8058 3075.1960 2885.6617 3013.9807 2878.9279 10.40_872.3115n 873.307938 10.40 1272.3768 2150.5717 1688.2667 1526.0760 1829.1651 1832.6741 10.40_883.3483n 867.3256986 10.40 1917.8610 3245.6032 2272.3398 2180.5964 2375.9166 2167.6748 10.40_911.3198n 929.3738912 10.40 2080.3191 3518.5217 2496.6498 2652.2597 2591.7080 2612.8282 10.40_918.3217n 919.3289565 10.40 488.5431 1036.5871 708.1379 735.3076 816.3585 709.9802 10.40_955.3737n 939.3510838 10.40 1067.2851 2262.4118 1483.4734 1552.3424 1464.6357 1502.1213 10.40_995.3793m/z 995.3793246 10.40 223.2024 509.4266 315.5118 255.6402 282.1316 274.9266 10.41_151.1123m/z 151.1122797 10.41 612.1339 654.8553 609.2996 631.3759 633.1206 643.3836 C10H14O 2-Tert-butylphenol MEDIUM 10.41_159.0794m/z 159.0793934 10.41 1328.5647 1417.9081 1294.5279 1334.4274 1352.5779 1311.1837 10.41_328.2003n 329.2106109 10.41 10030.6280 11043.9829 10148.6235 10222.5708 10478.1604 10335.9691 10.41_332.0853m/z 332.0853461 10.41 217.8348 215.9221 227.7736 214.2394 197.8262 213.2092 10.41_364.2250n 347.2217505 10.41 27066.1865 29423.1400 27813.9383 27947.3895 28472.4225 28379.9851 10.41_367.1391m/z 367.1391365 10.41 5705.9618 5700.7575 5832.2987 5724.8806 5998.1775 5802.9677 10.41_523.2517m/z 523.2517051 10.41 33962.4406 32883.4961 33139.8317 33727.6906 33536.0961 32959.2555 10.41_558.2875m/z 558.2875119 10.41 15365.7365 15693.9306 15488.0689 15545.8624 15409.3938 15137.2675 10.41_563.2471m/z 563.2471366 10.41 78605.4631 82240.4529 79666.7278 81003.1062 81305.7139 81172.4395 10.41_596.2168n 579.2134917 10.41 15759.1948 15570.4953 15479.0455 15509.2975 15843.3119 15543.3150 10.41_602.2366n 625.2348986 10.41 30619.0961 30383.0926 30134.4077 30404.6588 30695.9469 30116.0491 10.41_607.1834m/z 607.1834202 10.41 1308.9797 1308.8953 1267.2150 1173.2107 1310.1419 1291.3258 10.41_609.2664m/z 609.2664362 10.41 3585.0097 3383.9215 3456.0156 3431.1088 3489.3296 3441.2191 10.41_610.2025n 594.1799305 10.41 7430.3643 7292.9438 7258.7693 7192.1638 7435.8582 7254.2640 10.41_621.2018n 639.2558441 10.41 4987.7058 4928.1743 4979.0435 4988.9068 5106.2871 5015.1258 10.41_794.3260n 817.3114139 10.41 4559.0337 6026.9101 4733.9610 5070.9628 5135.8150 4732.9602 10.41_839.3320m/z 839.3319837 10.41 822.7011 1176.1982 881.4415 840.6700 916.7534 935.3979 10.41_846.3426n 830.3200513 10.41 1806.7805 2699.0429 1932.3314 2074.2189 2106.6050 2060.8573 10.41_849.3317m/z 849.3316572 10.41 1367.5983 2160.4998 1735.9924 1797.4440 1828.8929 1692.3853 10.41_861.3148m/z 861.3148483 10.41 847.2196 1285.9931 952.6283 953.6115 1120.0405 952.5221 10.41_870.3311n 853.3278182 10.41 842.7160 1388.6415 1143.8230 1064.2149 1072.8265 1110.6594 10.41_874.3091n 857.3058491 10.41 1887.5187 2906.0510 2164.7657 2144.0175 2341.0092 2212.3041 10.41_897.3188n 881.3711547 10.41 675.1395 1187.1988 856.4323 990.6195 972.9111 897.3649 10.41_907.3861m/z 907.3861241 10.41 1909.9391 2707.2980 2217.0126 2059.1533 2221.1338 2026.4130 10.41_923.3536m/z 923.353587 10.41 1599.3388 2294.8191 1820.7011 1823.9673 1830.0911 1797.9361 10.41_937.3523m/z 937.3523317 10.41 338.7382 552.5314 423.5697 342.3035 425.4774 382.3270 10.41_943.3984m/z 943.3984151 10.41 752.0107 1345.5967 927.1885 1006.2256 1013.4890 1031.6165 10.41_953.3770m/z 953.3769723 10.41 366.1748 579.6232 417.3630 344.8072 495.9097 428.8723 10.41_964.3378n 947.3345294 10.41 1490.6632 2346.0525 1686.6455 1617.6163 1845.0627 1632.5764 10.41_966.3642n 967.3714986 10.41 1166.3023 2114.1961 1293.7246 1418.3997 1532.9753 1436.0738 10.41_975.3740n 958.3706664 10.41 1321.3993 2197.0857 1486.7607 1406.7273 1560.9162 1606.6257 10.41_981.3752m/z 981.3751774 10.41 501.5988 1114.9613 970.3963 686.4464 927.9741 681.7388 10.41_991.3470m/z 991.3470084 10.41 290.3711 367.4109 216.8159 271.5875 266.8172 305.4761 10.41_996.3698n 997.433907 10.41 1133.1107 1609.3113 1239.6210 1138.7203 1286.7185 1186.5845 10.42_149.1326m/z 149.1325773 10.42 262.7233 431.6690 373.7813 406.3364 377.8812 283.9018 10.42_155.1437m/z 155.1437013 10.42 137.4938 145.3546 158.4517 145.9596 164.8838 141.9640 C10H18O beta-Geraniol 17447 HIGH 10.42_286.1918n 269.1885437 10.42 5410.5231 5710.0948 5331.6940 5438.2362 5541.8219 5551.2012 10.42_321.1660m/z 321.1659622 10.42 14914.2478 14854.3968 14553.0444 14800.0600 14722.9764 14979.4267 10.42_332.5864m/z 332.5864048 10.42 14.3261 19.2789 41.5963 38.0341 26.0945 42.6860 10.42_357.2523n 358.2595891 10.42 191702.0029 230847.5513 216273.9650 217363.1013 217725.3341 220532.6594 10.42_358.3167m/z 358.3166964 10.42 1183.5224 1532.5407 1229.1495 1355.2791 1298.7501 1198.1157 10.42_358.4140m/z 358.4139512 10.42 3435.3655 4675.7320 4153.9026 3786.5603 4211.5510 3717.4949 10.42_503.2257m/z 503.2256621 10.42 5015.5306 5197.4494 5155.0876 5064.2105 5213.2626 5156.5285 10.42_773.2742m/z 773.2742087 10.42 946.2575 1108.2542 975.4022 985.9121 982.6815 986.9536 10.43_137.1323m/z 137.1322687 10.43 70.5865 71.3664 84.6215 55.5076 79.3779 68.0540 10.43_405.3027m/z 405.3026728 10.43 35.9221 61.0748 57.2540 54.9164 54.6381 44.9645 10.44_167.6048m/z 167.6047962 10.44 104.5464 144.5010 118.8784 127.1307 104.8479 106.3456 10.44_511.2556m/z 511.2556024 10.44 64108.8127 62802.2789 63554.0893 64537.5777 63864.0382 63105.0067 10.45_177.5998n 195.6355155 10.45 252.2278 449.8163 359.9009 400.5774 369.5088 400.2359 10.45_264.1333n 247.1300608 10.45 7760.9615 7774.1341 7575.5019 7378.7736 7825.2752 7565.3285 10.45_277.2156m/z 277.2155937 10.45 237.7634 304.9467 306.6319 240.0633 273.7067 252.2198 10.45_529.2569m/z 529.2569364 10.45 18865.2568 18649.0564 18679.9002 18990.3279 18876.4154 18619.8634 10.47_244.1325m/z 244.1325144 10.47 631.8729 721.4333 617.3357 619.5933 646.5357 653.4770 C13H19NO2 3-(1-Ethylpropyl)phenyl methylcarbamate MEDIUM 10.47_290.1419m/z 290.1419408 10.47 4142.3481 4436.5026 4180.7436 4305.2532 4218.8477 4212.1949 10.47_303.0863m/z 303.0862827 10.47 1706.0999 1718.1872 1673.6310 1669.3838 1766.6437 1697.6599 10.48_293.1719m/z 293.1718928 10.48 8242.9864 7321.3501 7275.6467 7491.3786 7305.7237 7414.7410 C17H24O4 Trichodermin MEDIUM 10.49_379.2059m/z 379.2058704 10.49 4595.5235 4518.0207 4561.6195 4573.9587 4729.8794 4521.7514 C17H26N6O4 Pentosidine 59951 MEDIUM 10.49_478.2081m/z 478.2081057 10.49 6133.3017 6428.4643 6241.5003 6267.7365 6496.0306 6129.6909 10.50_171.1047m/z 171.1047473 10.50 10758.9441 9977.2547 10293.1622 10306.5044 10366.8290 10276.2116 10.50_247.9312m/z 247.9311812 10.50 775.9860 577.4644 676.8706 712.3834 687.4248 733.8087 10.51_139.1126m/z 139.1126047 10.51 137.2663 113.7490 124.1117 129.5347 119.7081 117.1549 C9H16O2 4-Hydroxynonenal 58968 MEDIUM 10.51_315.1233m/z 315.1232606 10.51 3326.5473 3683.9253 3451.7142 3706.4237 3613.7362 3510.1668 10.51_389.1647m/z 389.1646967 10.51 4353.5461 5009.6911 4655.2836 4715.3629 4635.1716 4505.6845 10.51_595.2615m/z 595.2615137 10.51 2688.7942 2668.1721 2674.9852 2661.7782 2792.7312 2673.8383 10.51_635.2086m/z 635.2086229 10.51 1060.9419 1090.4668 1080.8242 1107.0189 1147.9698 1092.1731 10.52_222.9226m/z 222.9225866 10.52 145.8683 53.6137 141.7167 129.5450 190.5043 119.4379 10.52_279.2092m/z 279.2091939 10.52 401.1451 509.5939 403.5867 425.7417 457.3615 476.5503 10.52_385.1849m/z 385.18488 10.52 50931.7243 47837.1541 49227.0746 50837.4384 49661.9185 49449.7760 10.52_473.2379m/z 473.2379175 10.52 5651.6648 5712.5476 5592.1040 5569.9118 5815.9385 5438.9778 10.52_549.2652m/z 549.265236 10.52 12389.1533 13006.8273 12531.3681 12607.5524 12931.2339 12499.2810 10.52_611.2441m/z 611.2440998 10.52 12030.6797 12082.6345 11857.6394 12097.7499 12117.7527 11791.9894 10.52_74.9543m/z 74.95429819 10.52 86.6304 63.0359 66.5533 69.4019 66.6546 63.6306 10.54_255.2101m/z 255.210136 10.54 996.3039 1160.5663 1056.2168 1034.8846 1077.1952 1057.4578 10.55_135.0810m/z 135.0809512 10.55 1078.2783 751.4818 1287.9352 720.5386 1109.4758 1080.8938 10.55_163.1121m/z 163.1121492 10.55 1738.3917 1024.5441 2258.5569 997.6972 1900.9108 1763.8084 10.55_312.1493m/z 312.149313 10.55 5525.0534 5788.5479 5454.3899 5615.3182 5494.2621 5583.5431 10.55_347.0878m/z 347.0878314 10.55 702.3017 814.0192 693.8508 800.3217 763.7656 758.3677 10.55_382.2571m/z 382.2570935 10.55 1315.4669 1613.7891 1346.9552 1434.3740 1438.7178 1454.6131 10.55_520.2303n 503.2269788 10.55 13881.7006 14742.6061 14346.4865 14253.3666 14668.3442 14306.6813 10.55_567.2766m/z 567.2766411 10.55 3163.5936 3556.6921 2679.8105 3332.2159 2689.7607 3160.3778 10.55_629.2539m/z 629.2538671 10.55 2306.6642 2373.8814 2245.4525 2344.7565 2330.6603 2307.6289 10.56_287.2003m/z 287.2003484 10.56 6757.8158 7772.5280 7205.4905 7200.2788 7237.1648 7314.8542 C19H26O2 Androstenedione Androstenedione 16422 HIGH 10.56_863.3267m/z 863.3266977 10.56 586.9806 1113.8145 746.1271 771.4782 845.4926 720.2746 10.56_910.3398m/z 910.3398268 10.56 70.7147 316.7166 181.3784 187.7356 180.4304 135.1813 10.56_983.4298m/z 983.4297604 10.56 243.9242 597.5282 367.3127 395.7501 423.6791 332.0223 10.56_985.4695m/z 985.4695094 10.56 551.9405 1012.3617 664.2860 816.4335 792.0765 726.0355 10.57_149.1323m/z 149.1322701 10.57 178.8876 267.6349 223.2079 219.5473 190.4868 201.2072 10.57_244.1303m/z 244.1302806 10.57 975.4883 1108.9847 1028.0928 953.0661 1106.3871 995.0914 10.57_253.1945m/z 253.1945217 10.57 4866.9082 5394.5476 4983.4941 5060.8160 5231.1236 5124.2583 10.57_271.2055m/z 271.2054749 10.57 7693.4387 8551.6592 8131.7187 7886.0342 8274.4406 8010.2955 C19H28O2 Testosterone Testosterone 17347 HIGH 10.57_285.1530m/z 285.1529596 10.57 5826.1458 6112.0334 5713.7744 5857.0422 5944.3736 5815.1234 10.57_290.1409m/z 290.1408899 10.57 14166.2212 14408.8920 14008.9334 14314.2168 14325.0263 14329.6299 10.57_341.2507m/z 341.2507437 10.57 125.2539 257.3527 116.6608 155.0104 86.5753 144.8264 10.57_367.1411m/z 367.1410991 10.57 5734.6088 5952.5328 6058.6464 5915.4028 6214.6957 6039.4725 10.57_383.1018m/z 383.101762 10.57 870.8417 963.3283 907.1331 816.8115 973.1765 908.1324 10.57_447.2349m/z 447.2348945 10.57 6507.8654 6943.8246 6584.0897 6719.7974 6725.9765 6654.6461 10.57_482.2677n 505.2413922 10.57 42425.4946 45567.8411 43112.7909 43731.2090 44263.3518 43868.2883 10.57_521.2225m/z 521.222526 10.57 3691.0046 3664.4065 3637.7017 3655.4541 3770.5020 3684.4379 10.57_570.2527n 571.2599975 10.57 10432.8429 10207.6094 10270.0442 10403.3339 10547.0971 10248.0508 10.57_577.2190m/z 577.2190463 10.57 2310.9720 2297.2508 2195.4273 2270.7707 2250.7353 2191.1251 10.57_591.1815m/z 591.1814652 10.57 1485.0625 1511.5541 1514.6139 1494.6634 1562.3218 1464.2818 10.57_849.3645m/z 849.3645378 10.57 1962.6180 3000.0904 2293.1354 2177.0565 2284.1955 2195.0061 10.57_861.3044n 844.3011293 10.57 233.2029 615.2558 416.0115 381.5867 410.8310 373.9626 10.57_873.3632m/z 873.3632472 10.57 1127.2688 2188.5090 1578.1130 1650.3454 1746.7199 1566.8934 10.57_887.3258m/z 887.3258443 10.57 258.2454 910.6790 383.8700 528.9523 521.5693 497.1246 10.57_903.3277m/z 903.3276648 10.57 304.2659 736.7401 311.8087 406.3069 443.4163 424.3558 10.57_906.3437n 889.3403665 10.57 1572.0352 3362.7933 2206.7388 2114.4132 2594.2770 2104.8061 10.57_912.3644n 895.3611449 10.57 1048.1847 2736.1648 1839.4675 1602.0858 1777.7943 1792.5426 10.57_928.3774n 951.3915176 10.57 1350.5736 2480.1769 1724.2335 1605.3122 1656.9339 1548.3883 10.57_971.3851m/z 971.3850913 10.57 175.1090 590.2845 304.5424 311.6629 338.7809 279.2984 10.57_972.3867n 973.3835852 10.57 584.7482 1616.1798 865.3706 926.9909 1047.7490 764.3792 10.57_979.3649m/z 979.3649165 10.57 115.3703 346.1338 224.4294 158.6691 144.8348 142.9597 10.57_987.4882m/z 987.488182 10.57 1557.3862 2401.5452 1844.9857 1754.9922 1970.3040 1814.0483 10.58_237.1851m/z 237.1851448 10.58 856.1741 914.9907 825.8906 798.4768 848.7796 805.6258 10.58_261.1106m/z 261.1106298 10.58 9889.2987 9292.4016 9551.6323 9451.4660 9574.7049 9493.1644 C15H18O5 Coriamyrtin MEDIUM 10.58_317.1376m/z 317.1376438 10.58 6654.1590 7456.4787 7244.3394 7139.7397 7533.6644 7250.8755 10.58_323.0808m/z 323.0807941 10.58 234.9834 239.7247 227.8961 191.0410 277.0782 199.4714 10.58_453.2080m/z 453.208042 10.58 39082.0983 37854.9486 37765.2467 38802.6503 38478.4063 38263.5954 10.59_237.1463m/z 237.1463049 10.59 4810.5197 4407.4574 4124.2514 4406.1576 4210.7257 4430.3847 C14H20O3 Heptyl 4-hydroxybenzoate 17879 MEDIUM 10.59_316.2481m/z 316.2481129 10.59 13617.3379 16375.9833 15343.4598 14893.4044 15321.1583 15181.4995 10.59_384.2705m/z 384.270459 10.59 1062.0010 1064.8545 1049.4775 942.2680 1055.7108 1049.6356 10.60_167.0854m/z 167.0854005 10.60 1831.3439 1910.2008 1828.8601 1881.5531 1892.3038 1926.4305 C13H10 Fluorene Fluorene 28266 MEDIUM 10.60_356.2404m/z 356.2403517 10.60 1501.5585 1679.0669 1606.5451 1541.6049 1633.0507 1612.6442 10.60_484.1611m/z 484.1611368 10.60 1860.0217 1932.4109 1903.0240 1829.7933 1964.2956 1915.7514 10.62_282.6136m/z 282.6136182 10.62 343.0503 411.0321 385.3291 422.1971 401.0381 411.4125 10.62_330.2183n 331.2260113 10.62 14233.5948 16363.5038 14921.4872 15272.3454 15652.8190 15154.1642 C21H30O3 Cannabielsoin HIGH 10.62_351.6836m/z 351.6836313 10.62 106.3505 192.6069 122.1585 160.7877 157.6798 157.1277 10.62_391.1402m/z 391.1401726 10.62 10677.5661 11800.1399 11512.4925 11631.3229 11776.9704 11417.5560 10.62_407.1019m/z 407.1019115 10.62 1221.1446 1245.5838 1240.4429 1190.5125 1243.9325 1228.7747 10.62_542.2680n 565.2627137 10.62 49425.1078 54259.9217 51125.0136 51550.2430 52420.5401 51822.7224 10.62_562.7557m/z 562.7556736 10.62 459.2418 669.0132 531.9147 499.3698 560.2091 519.5076 10.62_581.2357m/z 581.2356685 10.62 9544.7428 9668.8207 9412.5904 9596.0657 9655.8285 9524.0908 10.62_597.2064m/z 597.2064355 10.62 3850.2379 3947.3635 3786.3330 3833.7409 3910.8155 3825.1314 10.62_604.1882n 627.2344634 10.62 21157.4885 21871.8520 21325.3317 21259.8566 22003.9703 21622.7846 10.62_609.1983m/z 609.1983361 10.62 2192.1852 2365.4875 2261.4957 2327.7728 2295.0036 2260.7044 10.62_624.1972n 642.2168296 10.62 5732.3555 5925.0505 5728.6224 5596.6974 5887.4277 5853.0322 10.62_651.2036m/z 651.2036365 10.62 1936.7424 1951.0258 1982.5492 1907.4545 2027.1106 1949.1437 10.62_653.2087m/z 653.2087159 10.62 1544.5631 1644.1707 1642.7839 1689.6779 1698.0622 1538.8127 10.62_655.2226m/z 655.222555 10.62 1239.6892 1169.0623 1200.7086 1192.0633 1214.9752 1156.1672 10.62_662.2151n 645.2118328 10.62 2997.1038 3093.0381 2995.5446 2895.8463 2990.6207 2966.2386 10.62_689.1550m/z 689.1549736 10.62 1993.4422 1994.0736 2038.8253 1977.2301 2086.5890 2081.7727 10.62_833.3581m/z 833.3580787 10.62 2314.8464 3832.1916 2833.6315 3134.9405 3086.3088 2781.5118 10.62_933.3878m/z 933.3878192 10.62 907.8000 1891.3701 1402.7515 1212.0860 1416.7261 1160.2892 10.62_949.3595m/z 949.3594571 10.62 394.7262 754.1043 489.0333 520.6563 576.2318 363.1965 10.63_283.2043m/z 283.2043414 10.63 360.8702 386.2291 369.3719 301.5173 370.0633 367.4549 C20H28O2 9-cis-Retinoic acid 15367 MEDIUM 10.63_291.6185m/z 291.61854 10.63 211.6797 206.5748 248.8945 236.1565 235.2670 254.3636 10.63_333.5951m/z 333.5950846 10.63 87.2292 80.5933 90.4245 101.7556 99.9916 102.8936 10.63_94.0329m/z 94.0328604 10.63 187.8090 198.2229 196.7696 170.1009 212.1484 177.5152 10.64_153.1281m/z 153.1280852 10.64 199.3326 228.0664 210.2418 222.9682 212.4018 201.9822 C10H16O Perillyl alcohol HMDB03634 HIGH 10.64_292.1586m/z 292.1586238 10.64 4158.7735 4197.6868 4132.9802 3970.7263 4204.3488 3980.8345 10.65_567.2083m/z 567.208307 10.65 26875.0301 29970.1385 28621.1699 28481.5656 29387.7794 28547.6522 10.65_583.1731m/z 583.1731428 10.65 2553.2448 2618.1330 2726.1964 2468.4988 2699.5449 2600.6932 10.67_223.1689m/z 223.1688594 10.67 797.1382 983.9696 820.0413 886.8085 878.5202 854.1454 10.68_161.0582m/z 161.0581904 10.68 436.9304 461.1452 414.9140 461.3117 448.5471 447.7259 10.68_386.2889m/z 386.2888841 10.68 316.1972 525.1005 404.8054 458.8126 415.0222 414.0054 10.68_435.2023m/z 435.2022728 10.68 4624.5782 4566.3114 4593.6718 4588.3855 4632.5319 4572.9909 10.68_468.1972n 491.1886709 10.68 17094.9531 18923.0486 17801.6938 18090.2754 18378.7705 17888.6932 10.68_497.1812m/z 497.1811581 10.68 4075.1515 4975.7927 4474.8305 4571.0676 4668.0898 4523.7204 10.68_507.1557m/z 507.1556949 10.68 4190.9722 4545.2468 4231.9854 4219.3636 4520.4048 4314.9221 10.68_513.1718m/z 513.1717599 10.68 1786.0339 1835.7907 1953.0586 1811.4293 1935.6966 1860.6812 10.68_522.1211m/z 522.1211066 10.68 1254.0669 1339.9851 1355.9086 1219.1988 1307.4556 1362.9791 10.68_531.1218m/z 531.1217782 10.68 897.3449 1035.8394 932.5507 896.6416 999.9182 1024.0395 10.68_547.2538m/z 547.2538309 10.68 6624.4574 6662.3515 6559.6740 6708.3246 6696.1997 6635.3191 10.69_359.1896m/z 359.1896344 10.69 11500.0417 11889.6826 11834.9136 11410.2581 12010.0147 11613.0635 10.69_751.4029m/z 751.4028969 10.69 2638.7199 2939.1095 2716.5062 2790.1431 2885.6484 2681.6328 10.70_118.1230m/z 118.1230239 10.70 94.8695 80.5048 93.3210 88.0809 89.0669 88.0787 C6H12O Cyclohexanol Cyclohexanol 18099 MEDIUM 10.70_255.2105m/z 255.210479 10.70 2108.7159 2444.0996 2208.5029 2309.7523 2337.4658 2239.9463 10.70_281.2261m/z 281.2261194 10.70 847.9421 1003.6739 880.8657 840.3818 925.2191 899.1314 10.70_333.2409m/z 333.2408851 10.70 447.3510 500.4529 466.6418 410.2692 485.9710 447.4580 10.70_533.2679m/z 533.2678974 10.70 14346.3422 15048.1768 14491.7835 14839.5902 14902.7358 14591.3985 10.70_549.2557m/z 549.2557361 10.70 5832.1486 6051.6872 5850.2734 6069.8683 6050.5687 5866.2411 10.70_595.2471m/z 595.2470772 10.70 9219.4258 9803.0757 9154.7841 9650.8039 9378.4723 9475.5052 10.71_137.1332m/z 137.1332047 10.71 550.1612 558.9102 564.4768 542.3267 565.7552 539.4460 C10H18O 4-Decenal MEDIUM 10.71_271.1172m/z 271.1171869 10.71 2340.1514 2424.1452 2352.2198 2459.0192 2313.7040 2344.5426 10.71_415.1287m/z 415.1286573 10.71 4672.8628 4831.5472 4835.7098 5076.4278 5073.3280 4749.7987 10.71_439.0986m/z 439.0985624 10.71 986.4282 1002.7008 948.8890 1085.1500 918.9363 895.8757 10.71_501.2502m/z 501.2501794 10.71 5044.8878 5118.2769 4976.4531 5094.8707 5160.5290 4949.5033 10.72_165.1282m/z 165.1281573 10.72 383.2247 409.1991 427.6103 419.2934 418.5180 384.8720 10.72_189.1640m/z 189.1640204 10.72 286.8953 353.2468 304.1111 328.8793 296.1322 331.5960 C14H22O "3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one" MEDIUM 10.72_209.1534m/z 209.1533983 10.72 1965.3340 1679.8333 1706.0132 1887.5291 1761.3306 1750.3034 10.72_213.1445m/z 213.1444867 10.72 5228.8571 4518.8453 4471.7753 4389.7805 4681.8006 4736.8548 C12H23NO3 Icaridin MEDIUM 10.72_267.0948m/z 267.0948036 10.72 1466.1547 1318.2827 1492.2061 1380.4038 1491.2179 1421.4569 10.72_451.1965m/z 451.1964839 10.72 11103.8382 11843.2552 11368.1149 11745.1201 11657.9697 11547.0251 10.74_401.0957n 402.1029387 10.74 1252.8280 1234.1495 1308.4890 1367.8534 1561.5264 1471.8676 10.75_287.1981m/z 287.1981056 10.75 2261.3300 2380.6886 2279.9726 2367.2808 2231.6163 2262.6328 C19H26O2 Androstenedione Androstenedione 16422 HIGH 10.76_248.0593n 249.0665483 10.76 3108.9416 3176.6600 3250.8487 3004.4693 3241.1496 3161.7747 10.76_273.6085m/z 273.6084615 10.76 103.1084 99.4189 100.6470 110.9001 92.8022 112.5442 10.76_282.6135m/z 282.6134832 10.76 88.8083 86.7609 76.8928 98.9619 90.9186 105.5586 10.76_330.2187n 331.2237206 10.76 8885.9892 9999.4217 9416.9879 9373.0873 9538.7596 9314.5841 C21H30O3 Cannabielsoin HIGH 10.76_526.2660m/z 526.2660144 10.76 45921.5030 44919.4203 45125.2589 45571.0112 45338.7529 45042.1601 10.76_564.2547n 565.2619717 10.76 62264.1233 68206.6630 65638.8047 66060.7347 67029.7896 66427.9193 10.76_576.3233n 560.300769 10.76 35146.8743 35850.6061 35127.4909 35238.8015 35478.2437 34806.5255 10.76_627.2334m/z 627.2333746 10.76 13207.0443 13274.3074 13274.8912 13343.7445 13351.4300 13380.3465 10.76_725.1519m/z 725.1518695 10.76 1983.3740 1953.4188 2013.0331 1903.9741 2078.9657 1938.0431 10.76_933.3616m/z 933.361624 10.76 1279.2409 2356.3302 1715.8494 1637.8624 1702.3858 1557.2715 10.76_963.3565n 981.3602909 10.76 603.1316 1679.5381 1086.8451 1006.8604 1068.4194 748.3995 10.76_972.4126n 955.4093237 10.76 1159.6815 2343.6500 1345.3301 1714.6556 1572.0151 1642.6266 10.77_149.1326m/z 149.1326352 10.77 178.4941 296.2572 254.7607 279.2016 240.5093 236.6981 10.77_159.0795m/z 159.079519 10.77 431.8048 482.5483 401.9845 431.7125 436.7022 399.7405 10.77_270.1958n 271.2036148 10.77 4160.1336 4712.9637 4253.9223 4312.2981 4306.7846 4345.9574 10.77_283.2034m/z 283.2033504 10.77 1234.8256 1491.4845 1344.5354 1210.7355 1381.1958 1312.8558 10.77_299.1955m/z 299.1954591 10.77 2469.9030 2652.9380 2542.4163 2507.2544 2549.6257 2395.1835 10.77_319.2256m/z 319.2256382 10.77 550.6548 636.6445 501.8365 510.2847 561.7641 541.0192 10.77_328.1982n 329.2107393 10.77 15972.6971 19201.9027 17097.9759 18368.4594 17322.4948 18077.3879 10.77_332.0855m/z 332.0855366 10.77 473.8843 348.3000 403.4207 417.9573 394.8236 464.3182 10.77_332.5868m/z 332.5868104 10.77 105.3788 69.6331 129.9525 69.1211 112.3302 107.0495 10.77_364.2249n 347.2216556 10.77 27694.0535 30927.5443 29226.7419 29164.9775 29751.5319 29610.8995 10.77_471.7387n 472.723113 10.77 260.3711 418.6847 274.1085 250.4368 257.8588 310.3211 10.77_472.2200m/z 472.2200036 10.77 1899.6158 1932.4214 1889.6920 1968.7480 1954.9268 1951.9085 10.77_507.2552m/z 507.2551907 10.77 31852.8739 31175.9400 31579.8413 31769.9306 31941.4321 31452.4191 10.77_541.2702m/z 541.2702002 10.77 26208.1947 25699.2478 25750.1536 25856.2340 25703.6970 25576.1683 10.77_562.2404n 563.2476769 10.77 68778.8227 72937.4890 70963.9990 71781.6354 71792.2205 71351.2432 10.77_569.7453n 552.7420133 10.77 409.5693 570.1149 476.8306 486.9574 499.4475 441.0951 10.77_577.7427n 561.74687 10.77 1194.9867 1623.2876 1359.0602 1446.7578 1452.2632 1463.3879 10.77_580.1886n 603.179299 10.77 5317.6780 5164.0204 5167.5067 5034.6323 5336.2925 5181.1504 10.77_588.7294n 572.7327314 10.77 243.0210 438.0904 363.9438 357.0163 394.8143 415.0017 10.77_594.1808m/z 594.1807894 10.77 4489.1255 4365.4783 4582.9398 4303.4679 4671.5469 4467.2983 10.77_596.2397n 579.2363641 10.77 27257.9424 27064.1207 27110.5791 27308.8664 27613.6536 27032.1462 10.77_603.7008n 587.7023963 10.77 211.4427 331.3917 316.3194 249.1742 287.4356 300.7189 10.77_621.2082n 605.1856595 10.77 6919.7509 6744.0538 6926.0733 6880.6157 7047.9091 7018.1099 10.77_624.1877n 625.2186259 10.77 12908.4302 13142.0121 13015.3418 13016.9080 13161.7880 13209.8792 10.77_626.2507n 609.2473961 10.77 7238.2826 7126.7161 7001.7643 7283.0622 7299.2364 7331.3686 10.77_628.2554n 611.2521213 10.77 15116.0302 14671.8464 14888.5742 15062.8397 15134.0908 14854.7681 10.77_643.1983m/z 643.1983279 10.77 5306.0341 5073.5514 5180.7379 5145.3104 5413.8692 5164.1563 10.77_653.1968m/z 653.1967621 10.77 4296.4865 4178.0580 4427.9383 4343.0758 4454.2340 4543.8652 10.77_715.2026m/z 715.2025908 10.77 1172.2992 1075.4660 1143.9343 1126.8873 1128.7217 1139.4463 10.77_819.3224m/z 819.3223948 10.77 814.2305 1094.6312 952.9845 958.9184 1033.2853 926.7317 10.77_847.3894n 831.3667897 10.77 2073.5839 3120.2477 2615.7511 2464.7343 2675.2804 2613.4473 10.77_847.8969n 831.8743605 10.77 471.2874 1070.2174 759.1337 713.9777 801.3477 797.9704 10.77_850.3322m/z 850.3321608 10.77 2165.5420 3484.1881 2819.3632 2635.0606 2721.2356 2641.6786 10.77_858.3372n 859.3292148 10.77 598.1583 1195.1644 867.9060 890.1170 860.7372 862.7141 10.77_860.3145n 843.3328982 10.77 3303.4229 4990.8636 3683.2655 3870.2769 4051.7757 3751.9814 10.77_868.3113n 869.3185734 10.77 701.1046 991.9917 687.0885 748.4344 817.8323 822.7778 10.77_870.3076n 893.3815677 10.77 947.1202 1618.5023 1203.8209 1251.6459 1322.0252 1196.2754 10.77_872.3141n 873.3213582 10.77 2981.6961 4841.5854 3621.6393 3542.7278 3739.9331 3683.7515 10.77_891.2995n 909.3610087 10.77 2016.6259 3520.0019 2401.4205 2417.4023 2756.1069 2534.2891 10.77_903.3181m/z 903.3181414 10.77 813.5105 1870.4350 1067.3053 1124.1500 1287.2096 1209.0254 10.77_928.3301m/z 928.3301445 10.77 881.2958 1642.4970 1071.9648 1097.8436 1176.9373 1172.0736 10.77_935.3545n 919.3319373 10.77 1061.2422 2302.4056 1487.9980 1271.9343 1541.0126 1318.5912 10.77_943.3336m/z 943.3335936 10.77 244.8635 929.1626 550.4039 457.9538 505.6054 531.3349 10.77_966.3488n 949.345466 10.77 582.6174 1068.7943 693.8034 820.4897 649.4714 581.0941 10.77_976.3427n 959.3394348 10.77 495.7193 1276.0873 700.9888 842.9251 834.6750 771.0399 10.77_987.3546m/z 987.3546317 10.77 118.6308 415.3183 240.6934 214.1449 194.6291 294.5030 10.77_992.3825n 993.4086819 10.77 499.0792 1193.6338 748.3107 690.9073 736.6819 713.3849 10.77_997.4180m/z 997.4180115 10.77 276.9902 637.1321 428.9340 461.7840 542.0106 409.4540 10.78_290.6109m/z 290.6108852 10.78 75.5904 35.1145 53.0821 59.9949 29.3156 68.6198 10.78_333.1677m/z 333.167735 10.78 2745.0869 2328.1951 2195.7379 2744.4616 2314.0738 2271.1876 C19H24O5 Gibberellin A4 MEDIUM 10.78_779.3298m/z 779.3297538 10.78 3939.7678 5072.7130 4281.4416 4411.5871 4645.6591 4398.6344 10.78_941.3295n 924.326192 10.78 960.0451 1767.0906 1221.4681 1155.8707 1295.8526 1256.9697 10.79_969.3839m/z 969.3838784 10.79 574.1274 1205.6970 963.4671 736.2921 913.8871 934.5127 10.80_328.2487m/z 328.2487158 10.80 51410.3820 63475.0980 59100.3016 58663.3250 59086.9801 59043.5327 10.80_340.2462m/z 340.2462079 10.80 3360.5516 4013.2961 3822.3687 3735.8465 3747.2758 3658.7830 10.81_316.2483m/z 316.2482519 10.81 5280.1842 6004.9323 5761.5410 5741.5575 5771.4859 5872.9538 10.81_413.1791m/z 413.1791481 10.81 7338.4694 8066.8151 7643.5794 7751.7583 7956.1998 7629.7265 10.82_179.1436m/z 179.1436156 10.82 285.7099 325.7158 291.7061 281.3590 298.9300 293.6048 C12H18O Propofol Propofol 8495 MEDIUM 10.83_133.0287m/z 133.0287005 10.83 182.8785 155.9160 160.8027 171.3277 180.3463 171.6135 10.83_245.1546m/z 245.1545855 10.83 286.9553 338.1411 308.5781 282.2203 306.1238 345.3721 10.83_286.9219m/z 286.9219447 10.83 258.8641 183.3646 195.7306 202.9449 245.2954 211.5055 10.83_307.0493m/z 307.0492813 10.83 1003.5300 824.5617 928.1712 917.6827 907.1226 914.7476 10.83_98.9870m/z 98.9870207 10.83 67.4449 58.7377 127.9522 78.5346 155.1231 154.4542 10.85_335.2307m/z 335.2307135 10.85 974.6161 1023.4145 981.2199 924.7968 1040.9329 997.2620 10.85_386.2892m/z 386.2892105 10.85 899.2185 1132.1683 1022.4865 986.9645 997.8211 965.7333 10.86_159.9587m/z 159.9587445 10.86 267.1683 203.3144 323.1367 287.3214 373.2874 383.5245 10.86_190.9446m/z 190.9446448 10.86 101.4511 83.1083 136.8906 95.3756 82.0355 113.3321 10.86_288.8829m/z 288.8829328 10.86 71.5730 50.0666 59.0735 84.6526 60.3129 84.5621 10.87_263.9028m/z 263.902751 10.87 228.3247 90.8949 152.2845 216.4484 202.6531 150.1271 10.90_205.0775m/z 205.0775082 10.90 884.5369 915.9717 940.1634 929.8921 911.5980 920.7442 10.90_206.0914n 207.0939378 10.90 3050.8052 3216.3053 3135.6786 3206.1702 3180.3517 3116.9373 10.90_331.1162m/z 331.1162184 10.90 2038.2746 2142.0274 2048.7587 2089.5737 2037.0356 2088.4342 10.90_422.1650n 445.1997565 10.90 46516.9071 49029.5092 48379.1904 48253.1812 48321.7724 47627.0378 10.91_218.1672n 201.1638686 10.91 2390.6199 2536.5638 2383.0391 2373.7092 2589.3988 2498.3115 10.91_281.2255m/z 281.2255402 10.91 128.7559 143.4484 156.5384 160.4172 157.9609 130.3086 10.91_391.1336m/z 391.1335918 10.91 4277.5789 4668.3901 4542.3714 4418.1758 4620.3472 4463.1365 10.91_435.2093m/z 435.2092676 10.91 53444.4326 51732.7756 51179.0174 50567.8317 52366.1478 51794.0561 10.91_848.3166n 831.3133211 10.91 699.8413 1344.6066 810.4875 771.5556 899.7977 807.3408 10.91_854.3320n 837.3287457 10.91 233.1528 638.6863 480.9821 474.7532 424.4309 400.6890 10.92_189.1639m/z 189.1639094 10.92 210.0871 242.1156 241.8513 223.6547 226.4359 216.0611 10.92_203.1792m/z 203.1792059 10.92 101.2882 126.9982 94.8294 92.7662 112.7183 108.8364 10.92_250.1189n 273.1102246 10.92 9132.0318 9443.6842 9260.1626 8988.9704 9063.4879 8962.7074 C14H18O4 Ubiquinone-1 Ubiquinone-1 HMDB02012 MEDIUM 10.92_277.2155m/z 277.2155046 10.92 174.3041 213.0387 183.4457 164.5443 177.0691 172.7747 10.92_289.0756m/z 289.0755548 10.92 1585.8010 1581.5938 1517.1624 1525.5213 1556.9994 1504.0875 10.92_329.1567m/z 329.1567001 10.92 3909.5516 4172.3217 4034.5325 4056.7632 4072.4180 4066.5772 10.92_359.0840m/z 359.0839659 10.92 2322.6530 2316.9757 2502.7169 2354.5286 2465.5365 2351.9650 10.92_403.1364m/z 403.1364383 10.92 14427.0884 16395.4927 15406.2484 15609.1132 15647.7988 15731.1685 10.92_419.1025m/z 419.1025432 10.92 3095.7101 3302.8510 3178.3697 3159.5385 3122.6521 3078.9991 10.92_434.0681m/z 434.0680568 10.92 1421.5058 1579.7180 1532.9372 1478.9040 1403.6209 1393.0531 10.92_451.1945m/z 451.194452 10.92 5608.2627 5834.8328 5814.2549 5709.0313 5794.1647 5761.9093 10.92_815.3384m/z 815.3384342 10.92 654.0000 925.3519 718.2338 726.3963 722.7854 694.6608 10.93_291.1733n 292.1805609 10.93 5508.6131 5410.7735 5380.1841 5338.3039 5438.1073 5377.6268 10.95_217.0360m/z 217.0359754 10.95 857.5773 878.1853 859.6195 785.2674 863.7168 812.0726 10.95_237.1466m/z 237.1465604 10.95 6708.6386 6124.0644 6434.9624 6576.2085 6462.5088 6367.6761 C14H20O3 Heptyl 4-hydroxybenzoate 17879 MEDIUM 10.95_94.0329m/z 94.03285599 10.95 407.0215 455.4943 461.8832 436.4301 451.3329 432.8114 10.97_376.1899m/z 376.1899222 10.97 24928.6961 24625.8281 24858.8926 25042.8119 25019.2763 24564.5259 10.98_123.1166m/z 123.11659 10.98 77.6121 79.7219 86.5110 79.9095 75.9699 77.5155 C9H16O 2-Nonenal MEDIUM 10.98_289.2158m/z 289.2157767 10.98 294.9486 371.4467 309.6050 319.2217 316.1591 331.5743 C19H28O2 Testosterone Testosterone 17347 HIGH 10.98_298.2282n 316.1913424 10.98 3272.9577 3589.4182 3335.2431 3291.8782 3407.7776 3260.4352 10.98_324.1036n 347.0897284 10.98 1890.7708 2059.4530 2091.3656 1880.2011 2024.7011 1936.4512 10.98_372.2658n 355.2625031 10.98 3104.1647 3484.7418 3400.7688 3197.9564 3318.6628 3197.9483 10.98_431.2747m/z 431.2746969 10.98 2565.3853 2619.8797 2662.8179 2620.9665 2661.4206 2711.6714 C24H40O5 Cholic acid Cholic acid 16359 MEDIUM 10.99_272.2132n 295.1510819 10.99 13091.6114 14157.9695 13649.2823 13683.2825 13777.0378 13870.8447 10.99_336.2441n 359.1798662 10.99 13414.8295 13246.5140 13425.0980 13102.1145 13590.9251 13254.1854 10.99_535.2531m/z 535.2530688 10.99 12167.0321 13093.8545 12671.3011 12534.8588 12788.0186 12610.2003 10.99_597.2659m/z 597.2658779 10.99 17942.8761 17984.6735 17735.8906 17876.8718 17709.9379 17643.9146 10.99_824.3301m/z 824.3300783 10.99 70.4229 214.2444 135.5791 158.0233 157.8789 149.7912 10.99_837.3289m/z 837.3288782 10.99 286.6440 472.7811 411.5539 418.7302 360.3831 334.4194 10.99_843.3378m/z 843.3377536 10.99 160.7643 344.6621 294.1859 234.8526 188.9656 230.7236 10.99_849.3272m/z 849.3271821 10.99 255.8435 475.6910 293.0203 340.0975 303.9226 323.4775 10.99_919.3746m/z 919.3746497 10.99 297.9728 676.0508 453.9660 346.3926 439.5568 481.5888 11.00_149.1329m/z 149.1328979 11.00 246.6397 380.5385 258.5648 243.0115 288.1998 236.9267 11.00_270.1977n 271.2048367 11.00 9340.2632 10404.4556 9870.2417 9766.4711 9880.6187 9926.4163 11.00_424.1230n 407.1197567 11.00 5640.7245 6005.1190 6112.6324 5703.4615 5981.7739 5733.6469 11.00_439.1471m/z 439.1471061 11.00 3461.8810 3669.4133 3661.9010 3653.9916 3550.5003 3605.5775 11.00_454.1143m/z 454.1142822 11.00 1564.8954 1685.4768 1693.1849 1615.1514 1718.8284 1656.5395 11.00_474.1152m/z 474.1152467 11.00 991.0817 1116.0409 1049.2727 1016.9487 1037.3205 1004.8098 11.00_839.3352m/z 839.3351702 11.00 163.6994 362.8438 219.6427 258.6826 246.2041 296.4581 11.01_117.0705m/z 117.0705301 11.01 729.2605 827.2360 777.2101 729.8074 694.9601 686.5968 C9H8 Indene 33051 MEDIUM 11.01_159.1173m/z 159.1173368 11.01 3511.1393 3873.8118 3604.5101 3623.0801 3391.0439 3450.1555 11.01_236.1406n 259.1314133 11.01 27214.2139 30397.6125 28641.9756 29405.7032 27564.4587 27773.1824 C14H20O3 Heptyl 4-hydroxybenzoate 17879 MEDIUM 11.01_321.1016m/z 321.1015732 11.01 1245.6297 1313.3248 1236.7073 1345.0090 1202.1670 1221.7108 11.02_199.0807m/z 199.080746 11.02 592.0704 542.8904 551.3642 563.1781 542.9628 527.8872 11.02_391.2080m/z 391.2079515 11.02 26414.0741 26250.6880 25555.5455 25730.8939 26554.9389 26035.4627 11.02_412.0578m/z 412.0578063 11.02 1078.8138 1289.2451 1247.9409 1190.6785 1264.8921 1153.0707 11.04_139.9250m/z 139.9249773 11.04 89.9963 47.9774 64.5997 71.6356 46.8387 56.6549 11.04_149.9540m/z 149.9540393 11.04 1722.6611 1386.8970 1565.4279 1593.0025 1483.4065 1528.4962 11.04_269.1766m/z 269.1766361 11.04 2536.3059 2580.4248 2514.8684 2558.4929 2499.1715 2503.1519 11.04_328.2482m/z 328.2482085 11.04 7428.6279 9705.7510 9069.8936 9247.8141 8775.8237 8871.0866 11.04_459.2169m/z 459.2169317 11.04 3925.4406 3908.3233 3914.3021 3938.7220 3916.8545 3840.9571 11.04_481.1374m/z 481.1374108 11.04 496.7395 606.0795 616.0310 492.7868 621.4299 546.1395 11.05_137.1330m/z 137.1329862 11.05 197.8484 242.8660 238.9172 247.9323 244.6998 224.5170 C10H18O 4-Decenal MEDIUM 11.05_145.0327m/z 145.032665 11.05 453.7787 507.7228 532.0522 503.9456 495.0390 491.5813 11.05_158.1543m/z 158.1542581 11.05 584.2434 510.4860 539.2819 476.2708 557.2869 532.8132 C9H16O 2-Nonenal MEDIUM 11.05_179.1436m/z 179.143582 11.05 400.0676 476.7014 445.8647 461.1041 429.0959 424.5858 C12H20O2 "Ethyl 2Z,4E-decadienoic acid" MEDIUM 11.05_229.1292m/z 229.1292435 11.05 15840.7614 16152.6752 15983.9709 16024.5795 15710.1895 15830.0429 11.05_273.1796n 257.1569898 11.05 10448.1508 12951.5975 11990.3486 11855.9052 11526.4735 11653.9404 11.05_340.2476m/z 340.2475513 11.05 5014.7610 6143.7230 5923.7643 5777.5515 5672.5682 5627.7061 11.05_353.6992m/z 353.6991759 11.05 158.0323 207.5850 186.0328 209.6590 150.2705 196.1227 11.05_706.3817m/z 706.3817169 11.05 11695.1522 12562.3739 12073.3060 12438.6739 12371.3432 12234.8436 11.06_245.1537m/z 245.1537315 11.06 491.1663 528.7249 517.1518 526.7305 502.5953 508.1377 11.06_305.2378n 306.1887105 11.06 1998.8866 2124.3633 2085.0076 2044.3493 2033.5436 1979.6276 11.07_217.0341m/z 217.0340979 11.07 202.0782 253.0090 210.6605 203.5117 213.3100 255.8867 11.07_223.1688m/z 223.1687799 11.07 754.4500 803.4183 845.6559 813.2237 784.8132 788.7845 C12H24O2 Dodecanoic acid Lauric acid 30805 MEDIUM 11.07_249.1842m/z 249.1841887 11.07 516.0450 641.5221 562.1356 565.4455 608.6923 519.8681 11.07_439.2018m/z 439.2017997 11.07 4666.0767 4513.3244 4816.4212 4645.1774 4856.4518 4610.8355 11.08_190.9468m/z 190.9467529 11.08 441.1599 291.1287 355.9412 382.4641 316.9359 353.8363 11.08_468.8751m/z 468.875065 11.08 50.6201 13.3991 31.5256 41.8125 29.4518 34.9702 11.09_286.0279m/z 286.0278664 11.09 480.6815 540.0047 564.8291 454.3937 468.9739 541.9751 11.09_422.1004m/z 422.1003871 11.09 2905.0308 3484.2097 3251.2385 3213.0542 3267.2410 3218.1467 11.09_424.0987m/z 424.0987289 11.09 1154.2399 1341.1799 1198.1046 1227.5478 1244.4122 1158.5918 11.09_599.2059m/z 599.2059077 11.09 3818.9907 4091.6511 4008.7246 3918.9388 3994.2242 3854.1676 11.10_153.1280m/z 153.1279916 11.10 236.5886 247.8660 232.6306 236.4487 237.9429 231.0725 C10H16O Perillyl alcohol HMDB03634 MEDIUM 11.10_281.2256m/z 281.2255646 11.10 357.9317 352.1388 365.0633 326.2601 355.3756 370.1660 11.10_330.2632m/z 330.2632385 11.10 1684.1374 2047.4566 2001.3939 1837.7102 1991.0620 1885.1591 11.10_355.2620m/z 355.2619619 11.10 727.9021 1003.6183 909.5754 911.2561 1018.7653 879.5204 11.10_385.1177m/z 385.1176816 11.10 2063.7408 2192.5313 2208.7526 2243.8897 2139.3639 2153.0383 11.12_123.1168m/z 123.1167578 11.12 109.3744 116.6231 105.5280 114.2509 108.6671 109.9700 C9H16O 2-Nonenal MEDIUM 11.12_243.6298m/z 243.6297985 11.12 20.5566 40.3478 41.9335 10.4175 34.3514 38.4116 11.12_430.2923m/z 430.2923135 11.12 2980.5813 3384.3595 3249.0512 3108.8258 3368.8013 3251.5689 11.12_488.2928m/z 488.292812 11.12 1954.3050 2063.0148 1995.9098 1947.3436 2072.7441 1996.6953 11.12_607.3012m/z 607.3012075 11.12 51043.1492 49107.5333 50003.9738 50231.9345 50255.4572 49035.6118 11.13_159.0783m/z 159.0783303 11.13 862.5970 785.3216 821.1449 853.6374 824.4943 740.1451 11.13_189.0845m/z 189.0845359 11.13 2040.5485 2043.9664 2018.9875 2046.5605 2042.4092 2059.4054 11.13_241.1182m/z 241.118249 11.13 11400.0633 10862.3702 10994.3815 11124.5063 11087.4635 10895.1340 11.13_276.1357n 299.1260076 11.13 40225.3539 43703.7782 42471.1607 44119.9778 42828.2633 44822.3584 11.13_333.1099m/z 333.1098898 11.13 1949.0196 2080.1000 2050.9307 1988.4967 2064.9177 2088.6231 11.13_361.0964m/z 361.096393 11.13 682.0930 722.3323 794.9739 711.1975 748.6792 786.8834 11.14_287.2002m/z 287.2001544 11.14 452.6123 577.7496 498.0026 494.5398 519.0952 484.3163 C15H19N5 Rizatriptan 48273 MEDIUM 11.14_503.2267m/z 503.2266541 11.14 9512.5219 10339.1399 9958.0619 9989.9720 9972.5038 9960.2347 11.14_567.2159m/z 567.2158567 11.14 2926.2441 3106.6462 3110.7456 3096.4453 3078.5958 3030.2877 11.14_89.0180m/z 89.01801919 11.14 90.4525 85.2191 101.4177 95.3974 95.1259 87.3854 11.15_159.9579m/z 159.9579335 11.15 133.9485 89.6592 109.9661 129.8379 138.4446 184.4436 11.15_217.0365m/z 217.0364636 11.15 248.2272 237.4926 205.0850 190.9234 238.6860 216.0613 11.15_307.1014m/z 307.1014462 11.15 2604.9632 2391.4818 2597.9623 2565.4676 2510.1620 2512.4515 11.15_565.2050m/z 565.2049888 11.15 3095.4794 3179.2908 3117.4780 3095.5230 3072.9467 3080.0113 11.16_147.5891m/z 147.5891303 11.16 25.4665 59.6536 44.1536 46.9093 43.0921 30.1825 11.16_178.6075n 196.6432381 11.16 65.8817 137.4402 132.1653 105.4120 89.7618 112.5970 11.16_513.2906m/z 513.2905941 11.16 8205.0620 10035.4231 9325.8992 9597.2530 8947.2256 9186.1998 11.17_139.9252m/z 139.9251778 11.17 96.2193 64.1103 84.2169 68.4968 67.5850 59.4974 11.18_246.8819m/z 246.8818919 11.18 325.1776 192.3994 272.7226 283.6458 236.9347 259.8689 11.18_341.2497m/z 341.2496827 11.18 51.7720 97.5268 90.7924 77.8408 56.3495 34.8278 11.19_158.9298m/z 158.9298377 11.19 201.5808 200.0878 311.7353 222.8322 312.3349 249.7747 11.19_332.2345n 333.2402861 11.19 1149.1428 1287.5099 1174.5160 1126.5386 1144.5781 1160.1965 C21H32O3 17a-Hydroxypregnenolone HMDB00363 HIGH 11.19_549.2657m/z 549.265651 11.19 25670.6184 26215.2789 25862.6840 25708.9290 25842.1141 25599.0736 11.19_611.2480m/z 611.2480346 11.19 2865.5460 2896.6983 2898.5911 2821.9145 2871.3604 2874.4033 11.20_137.1330m/z 137.1329514 11.20 792.3773 1020.6920 926.2072 930.1417 863.1147 882.6777 C10H18O 4-Decenal MEDIUM 11.20_179.1435m/z 179.143506 11.20 1358.9693 1649.9733 1478.9136 1497.7988 1423.2875 1531.4712 C12H20O2 "Ethyl 2Z,4E-decadienoic acid" MEDIUM 11.20_209.9313m/z 209.9313088 11.20 203.7059 98.2980 166.0086 124.4047 131.6035 150.0285 11.20_222.9233m/z 222.923302 11.20 675.9567 344.2667 508.5368 500.2831 437.0781 493.1244 11.20_273.1787n 257.1560815 11.20 7042.5599 8236.9240 7752.4198 7666.0130 7348.7130 7585.3085 11.20_298.1701m/z 298.1700586 11.20 2074.3732 2327.5662 2097.7814 2047.7636 2207.3719 2152.0966 11.20_577.2400m/z 577.2399654 11.20 2639.6769 2743.2389 2664.9015 2689.4183 2653.3486 2688.4179 11.21_246.1490m/z 246.1490173 11.21 2284.0169 2490.3850 2228.0841 2413.4381 2288.7349 2311.5101 11.21_270.9171m/z 270.9170828 11.21 244.6159 154.8435 196.6510 179.9342 172.4088 189.8951 11.21_571.2932m/z 571.2932481 11.21 8543.5972 8471.0436 8367.7763 8273.0343 8395.9375 8388.6255 11.22_226.1786m/z 226.1786381 11.22 1024.9216 980.4014 887.4936 920.1513 931.9858 890.4499 11.22_91.0546m/z 91.0545505 11.22 125.0840 129.0375 112.1642 116.9036 117.2511 107.6243 C7H8O p-Cresol P-Cresol 17847 MEDIUM 11.22_97.0654m/z 97.06544064 11.22 237.8401 147.9558 155.1699 234.4356 160.4532 193.9400 C6H10O2 4-Hydroxyhexanal MEDIUM 11.23_123.1172m/z 123.117211 11.23 117.6750 109.5626 109.4481 109.7186 115.8543 104.5449 C9H16O 2-Nonenal MEDIUM 11.23_529.2610m/z 529.2609714 11.23 6878.2600 7096.6852 6882.8130 6919.4654 7014.4411 7016.3157 C27H33N3O7 Verruculogen MEDIUM 11.23_545.2362m/z 545.2361726 11.23 11964.8616 12518.5649 12076.3554 11897.2773 12137.3064 12108.3578 11.24_153.1281m/z 153.1281239 11.24 249.6231 284.1356 255.4915 251.9622 261.4163 264.5351 C10H16O Perillyl alcohol HMDB03634 HIGH 11.24_165.1282m/z 165.1281693 11.24 157.7610 152.5283 149.0945 148.2281 133.6095 149.8525 11.24_179.1067m/z 179.106719 11.24 3052.8078 2247.4263 2660.5078 2576.9883 2715.6959 2659.8381 C11H14O2 Methyleugenol Methyleugenol 4918 MEDIUM 11.24_195.1379m/z 195.1379375 11.24 965.2886 839.4240 802.9160 928.8266 803.2365 829.7103 C12H18O2 Hexylresorcinol MEDIUM 11.24_263.0891m/z 263.0891234 11.24 1540.2953 1607.2223 1676.7132 1559.8126 1723.5576 1733.8054 11.24_277.1410m/z 277.1409759 11.24 8285.9332 7431.2470 7492.1613 8013.7031 7632.3384 7491.9186 C16H22O5 Mono-2-ethyl-5-hydroxyhexyl phthalate 40321-99-1 HIGH 11.24_373.1904m/z 373.1903707 11.24 20727.6562 21351.0895 21172.2345 20788.9733 21150.6223 20823.6761 11.24_385.1179m/z 385.1179489 11.24 2678.8645 2662.8000 2626.2653 2781.1334 2667.8726 2705.2359 11.24_400.0854m/z 400.0853977 11.24 730.6935 734.2603 825.8728 744.6111 823.2536 825.7884 11.24_431.1619m/z 431.1619179 11.24 7440.2368 7725.3729 7556.2773 7686.1053 7679.4562 7600.4112 11.24_547.2559m/z 547.2559426 11.24 11136.8285 11597.9708 11188.1647 11042.8865 11306.3962 11250.9899 11.25_247.1286m/z 247.1285628 11.25 3090.0612 2898.6105 3032.3792 2866.8455 3022.7190 2878.3623 11.25_255.2107m/z 255.2106843 11.25 1160.5331 1339.8149 1261.0827 1208.9978 1255.4328 1243.6976 11.25_281.2262m/z 281.2262498 11.25 661.6055 753.4986 680.2343 702.3854 664.1725 672.2813 11.25_453.1951m/z 453.1951168 11.25 16081.4493 15663.6344 16019.5113 15780.7754 15861.3335 15863.9202 11.25_482.2148n 500.2486324 11.25 54872.5122 56019.7452 55131.1438 55024.7538 55180.6175 54405.7016 11.25_521.1725m/z 521.172492 11.25 5653.8636 6242.6725 5804.6245 5774.3585 6190.2300 5877.3594 11.25_545.1366m/z 545.1365829 11.25 563.3718 594.8552 637.7972 508.8430 613.3666 550.4610 11.25_547.1341m/z 547.1340684 11.25 619.0349 847.8123 687.4016 651.1161 870.0019 700.4864 11.26_291.1547m/z 291.1547319 11.26 10372.5793 9787.4649 10098.5051 10071.8692 10047.1328 10024.1176 11.27_149.1330m/z 149.132953 11.27 211.0002 278.9363 210.8787 259.6335 224.8442 280.5345 11.27_217.1591m/z 217.1591369 11.27 361.1976 385.3972 366.2806 354.6797 375.4480 372.1196 11.27_583.1735m/z 583.1734785 11.27 1492.8876 1572.3247 1485.9520 1470.3406 1636.2296 1471.3091 11.28_202.1195m/z 202.1195323 11.28 419.6779 457.6573 397.8700 423.4816 412.6516 433.6779 11.28_355.2628m/z 355.2627953 11.28 346.0973 392.7734 394.1738 309.4583 363.3797 348.7802 11.28_567.2082m/z 567.2082282 11.28 5378.7163 6026.2274 5787.2623 5699.4234 5662.4480 5591.7370 11.30_155.0822m/z 155.0822424 11.30 1866.9794 1766.2487 1842.2433 1815.2673 1827.5582 1821.8365 C7H7NO2 2-Aminobenzoic acid 2-Aminobenzoic acid 30754 MEDIUM 11.30_158.0813m/z 158.0812565 11.30 1899.0724 1943.4503 1899.2824 1966.6571 1909.7567 1902.0622 11.30_169.0913n 153.0687495 11.30 6749.4020 6776.8571 6803.9565 6527.2021 6627.7944 6659.7633 11.30_185.0973m/z 185.0972654 11.30 26407.4024 29148.6288 27528.6523 27861.6862 27461.3966 28322.7829 11.30_231.1023m/z 231.10233 11.30 10446.6787 11163.7646 10711.9653 10558.2159 10716.7910 10644.8563 C14H16O4 Monocyclohexyl phthalate 7517-36-4 HIGH 11.30_240.0252m/z 240.0251773 11.30 846.2335 909.8546 896.6422 892.7478 944.2697 879.7837 11.30_242.0396m/z 242.0396046 11.30 1713.4637 1667.9710 1680.5045 1615.5707 1665.2344 1709.8309 11.30_252.0773n 253.0846035 11.30 9810.4051 10358.2198 10090.7456 9895.6220 10280.4891 10162.1863 11.30_269.0492m/z 269.0492442 11.30 1342.1247 1307.1865 1261.9318 1291.4180 1314.0280 1354.3937 11.30_298.0543n 299.0783632 11.30 2483.8859 2440.1959 2728.0171 2351.3909 2500.0425 2552.1695 11.30_306.0860n 307.0933003 11.30 3522.1743 3557.9050 3691.6295 3171.7947 3630.3168 3545.8750 11.30_331.0257m/z 331.0257241 11.30 597.6388 590.9049 646.4463 586.5425 557.7213 535.7247 11.30_332.0583n 315.0549831 11.30 13368.4658 13479.0538 13798.6638 13429.0214 13930.1770 13682.6770 11.30_339.0212m/z 339.0212477 11.30 1145.8805 1315.3577 1259.6893 1184.7305 1258.6069 1168.7937 11.30_341.0183m/z 341.0183045 11.30 698.2970 808.6198 790.0602 758.0820 754.6899 748.9216 11.30_343.0175m/z 343.0174846 11.30 538.9724 562.5741 478.8812 488.9720 564.6242 514.0614 11.30_445.9991m/z 445.9991469 11.30 124.9149 111.5401 119.1694 125.8080 131.1482 128.8830 11.30_819.2995m/z 819.299511 11.30 211.1204 584.8325 437.1587 329.2601 355.9579 415.1799 11.31_271.2032m/z 271.2031868 11.31 847.2427 993.5865 887.0296 837.5979 805.3098 953.9505 11.31_289.2163m/z 289.2163095 11.31 226.7861 284.9788 236.4186 209.0152 241.2576 229.6151 11.31_384.2740m/z 384.2739554 11.31 3273.2397 4021.8919 3806.1088 3652.4144 3710.0554 3673.7887 11.31_464.2392n 465.2465246 11.31 19732.4966 20775.0040 20020.0646 20059.3709 20048.5944 20165.6893 11.32_217.0338m/z 217.0337749 11.32 476.4444 512.6649 466.3333 419.4205 497.1061 481.1101 11.32_837.2663m/z 837.2662925 11.32 516.9383 709.0874 587.7192 645.6690 615.5990 470.7147 11.34_167.0860m/z 167.085968 11.34 5067.7381 5312.3814 5196.3095 5219.5632 5193.9084 5337.5538 C13H10 Fluorene Fluorene 28266 MEDIUM 11.34_551.1848m/z 551.1848001 11.34 1206.8354 1265.2804 1220.3684 1184.9780 1186.5859 1204.3519 11.35_220.1475n 204.0877616 11.35 3186.9423 3036.4305 3117.8078 3046.6370 3104.9056 3085.8159 11.35_330.2639m/z 330.263897 11.35 2934.8277 3726.7475 3343.9520 3295.7906 3201.7192 3314.9840 11.37_206.0928n 207.0934929 11.37 2180.3003 2213.3124 2212.3726 2216.2162 2153.1618 2250.0520 11.37_269.1891m/z 269.189076 11.37 827.8236 922.5539 837.0216 783.6908 854.8216 864.7368 C19H26O2 Androstenedione Androstenedione 16422 MEDIUM 11.37_437.1500m/z 437.1500297 11.37 5617.5178 6129.6753 6162.8476 5572.0225 5929.8538 5875.4102 11.37_94.0330m/z 94.03296995 11.37 155.2009 179.1802 178.7122 161.8722 150.1664 149.8754 11.38_299.2070n 282.2036645 11.38 9243.8986 8644.7457 8528.1965 8577.4685 8536.1220 8220.1944 11.38_533.2664m/z 533.2664418 11.38 3026.1095 3019.6549 3071.2216 2960.0556 3029.5102 3003.2514 11.39_210.1622n 228.1940831 11.39 747.9621 615.3016 647.8821 603.7346 586.6825 560.2096 C13H22O2 Isobornyl propionate MEDIUM 11.39_277.2157m/z 277.2157057 11.39 613.0026 652.3758 605.6102 538.8794 625.7012 592.7687 11.39_287.2001m/z 287.2001395 11.39 584.6933 657.4300 573.2290 539.0226 554.1717 561.3693 11.39_93.0703m/z 93.07033951 11.39 100.2331 98.8431 92.4856 101.5768 101.9578 94.8434 C7H8 Toluene Toluene 17578 MEDIUM 11.40_189.1639m/z 189.1639251 11.40 372.7796 463.3393 418.8068 375.3122 421.1066 433.5316 11.40_197.1899m/z 197.1898519 11.40 152.7181 169.3964 189.6494 144.7690 170.8073 148.9841 11.40_224.1777n 225.184822 11.40 1201.6747 1452.6259 1317.9409 1271.3790 1360.5596 1211.2819 11.40_293.1711m/z 293.1711145 11.40 1916.1613 1838.2153 1835.0938 1782.8000 1848.1496 1867.5177 11.40_327.1800m/z 327.1800328 11.40 6249.2133 6016.5650 6162.3233 6018.3340 6113.2944 6014.7179 11.40_467.1261m/z 467.1261485 11.40 1106.1488 1175.1180 1153.9579 1013.2155 1161.0162 1064.1437 11.40_475.2424n 459.2197705 11.40 18103.2183 19591.6977 18496.5235 18734.0812 18578.1855 18600.8344 11.40_490.1547m/z 490.1547231 11.40 888.3142 879.0709 1010.5792 742.6653 946.5744 884.0488 11.40_499.1567m/z 499.1567044 11.40 770.5268 976.0702 917.6330 836.3412 880.9321 838.2353 11.41_139.9249m/z 139.9249178 11.41 283.6909 156.1545 192.5501 234.6847 178.1068 157.3139 11.41_219.1747m/z 219.1746909 11.41 2114.3904 2657.3810 2411.5926 2343.5727 2337.9875 2382.5584 11.41_253.1394m/z 253.1393507 11.41 5842.2642 5125.5203 5481.8603 5382.9482 5569.4976 5484.2412 C15H19N5 Rizatriptan 48273 MEDIUM 11.41_529.2646m/z 529.2645961 11.41 8865.9836 9331.1274 9118.4821 8979.9773 9080.6121 9066.0659 C27H33N3O7 Verruculogen MEDIUM 11.41_545.2354m/z 545.2354158 11.41 3673.4600 3793.0588 3742.0739 3638.8988 3708.0909 3701.9452 11.42_123.1171m/z 123.1171366 11.42 108.6994 105.6827 112.0429 116.7764 108.6078 114.6669 C9H16O 2-Nonenal MEDIUM 11.42_97.0654m/z 97.06544976 11.42 188.5950 149.3027 140.4439 176.0326 147.8767 196.3675 C6H10O2 4-Hydroxyhexanal MEDIUM 11.43_245.1527m/z 245.1527262 11.43 241.4885 226.2421 237.6409 195.4832 214.2300 230.1113 11.43_280.8784m/z 280.8783608 11.43 436.8072 229.3483 373.1104 310.3434 345.8162 306.1228 11.44_124.9688m/z 124.9687521 11.44 154.6714 139.7972 159.3578 163.4270 164.4385 151.4033 11.45_188.9234m/z 188.9234227 11.45 144.7274 82.3090 111.1098 87.2945 112.0535 70.6366 11.45_201.8863m/z 201.8862726 11.45 575.7196 295.6327 459.8659 442.2395 473.1343 451.9562 11.45_278.0876n 279.0948276 11.45 8013.1520 6834.2717 7565.6305 7589.8402 7398.8462 7264.3762 C8H14N4O7 Diazolidinyl urea MEDIUM 11.46_271.8970m/z 271.8970384 11.46 3297.8358 2414.1567 2859.0372 2840.1842 2819.1390 2854.9371 11.46_393.1544m/z 393.1543907 11.46 4426.9175 4964.1124 4745.8311 4885.8473 4585.2046 4614.8187 11.47_222.9240m/z 222.9239521 11.47 1050.3696 609.4055 789.8925 790.6271 760.5392 893.5349 11.47_313.1927m/z 313.1927322 11.47 4711.1825 4313.9813 4506.1386 4478.3902 4499.7639 4467.4458 11.47_384.2707m/z 384.2707488 11.47 1084.1000 1231.2773 1208.8375 1125.2855 1161.2831 1139.5517 11.48_158.9301m/z 158.93006 11.48 356.4021 265.3494 371.1921 355.4013 385.9270 390.7607 11.48_255.2104m/z 255.2103922 11.48 1289.6260 1495.5160 1345.3435 1389.4086 1373.8942 1362.2704 11.48_273.2212m/z 273.2211518 11.48 275.0458 304.1602 301.1225 275.4062 286.1192 288.0455 11.48_577.2359m/z 577.2358556 11.48 4638.3035 4955.4900 4702.1672 4816.6354 4847.2580 4836.5072 11.48_98.9872m/z 98.98716835 11.48 239.5540 235.1812 278.4980 320.1323 282.9951 312.1199 11.49_247.1286m/z 247.1286145 11.49 5706.3705 4902.3532 5225.8381 5110.5410 5339.5728 5190.9850 11.50_237.1470m/z 237.1469619 11.50 3174.3927 2955.3723 2987.5385 2881.7880 3068.8918 3049.9834 C14H20O3 Heptyl 4-hydroxybenzoate 17879 HIGH 11.50_509.0824m/z 509.0823948 11.50 498.3908 582.3481 453.8973 530.2686 474.7897 451.4912 11.51_204.0875m/z 204.0875488 11.51 1471.5130 1462.0015 1522.9844 1563.2604 1517.0485 1502.1246 11.51_209.1175m/z 209.1174611 11.51 5690.5602 6386.3801 6042.7753 6117.1370 5963.4981 5962.1541 11.51_263.0911m/z 263.0911489 11.51 761.3477 764.3521 863.0548 802.2683 829.2719 724.3957 11.51_268.1301n 251.1267657 11.51 6683.0198 6666.3878 6558.0716 6665.7531 6587.2107 6624.2200 11.51_423.0972m/z 423.09724 11.51 378.4719 462.7437 433.6882 398.0379 420.8001 388.2131 11.51_466.1427n 467.1499728 11.51 24358.1413 26645.5361 25401.5457 25680.6808 25061.2683 25524.1427 11.51_498.0842m/z 498.0842409 11.51 987.3265 1151.2579 1133.4864 1065.6840 1051.4355 982.4909 11.51_500.1220n 483.1187018 11.51 6236.6321 6862.2414 6443.9292 6459.7445 6579.3277 6433.1863 11.51_507.0821m/z 507.0821209 11.51 1009.0679 1104.1008 1012.2000 960.3147 950.5501 949.3924 11.51_511.0856m/z 511.085578 11.51 723.9407 777.5060 690.5123 763.6150 718.5207 749.6725 11.51_652.3876n 653.3948283 11.51 6936.8608 7651.8083 6964.6357 7409.1288 7033.6216 7222.6538 11.51_697.3490m/z 697.3490187 11.51 1429.0829 1485.3631 1483.5723 1546.9064 1505.0018 1517.1440 11.51_706.3311m/z 706.3311465 11.51 2199.9754 2246.8463 2246.6990 2300.9236 2176.1599 2218.9661 11.51_927.2805m/z 927.2804916 11.51 526.8351 1182.8099 691.3633 784.7644 534.6860 717.1135 11.52_553.2916m/z 553.2916089 11.52 33816.3527 37784.1935 35907.5122 36164.9313 35617.0308 35396.7035 11.54_393.1480m/z 393.1479573 11.54 6682.6521 6705.3343 6827.4337 6749.0405 6779.4890 6682.7441 11.54_567.2434m/z 567.2433503 11.54 9105.4588 8811.9582 9105.9812 8980.7745 9004.6638 8851.2547 11.55_150.1148m/z 150.1147609 11.55 63.0495 41.9617 35.0173 51.0223 65.4805 28.5259 11.55_256.2632m/z 256.2632247 11.55 644.0584 537.5329 561.2886 655.4490 575.1869 639.9304 11.55_430.2983m/z 430.2982874 11.55 3003.4009 3416.6231 3190.9697 3225.1714 3224.2210 3184.9499 11.56_105.0337m/z 105.0337212 11.56 309.8562 243.7830 306.9872 291.9588 292.6521 302.5593 C7H6O2 Benzoic acid Benzoic acid 30746 MEDIUM 11.56_183.0796m/z 183.0796041 11.56 2826.9168 2336.0589 2696.7192 2544.9300 2583.7837 2587.4334 C13H10O Benzophenone Benzophenone 3034 HIGH 11.56_451.1411m/z 451.1410747 11.56 2171.2460 2231.8032 2398.6462 2337.3212 2184.5573 2193.5782 11.57_201.1272m/z 201.1271759 11.57 1000.8851 1059.1115 1001.0523 1004.2122 1015.9866 992.8651 11.57_203.1408m/z 203.1407752 11.57 1509.0299 1516.1899 1522.3358 1403.2772 1412.2153 1403.3078 11.57_245.1524m/z 245.1523766 11.57 321.0049 346.0425 385.8429 245.9976 354.1723 317.0038 11.57_302.1413n 285.1379785 11.57 15941.0099 14862.8704 15454.1317 15401.8621 15264.8721 15165.0674 11.57_346.1441n 329.1407762 11.57 9246.1799 9098.3191 9172.7864 9049.6910 9053.4607 9046.9908 11.57_360.0890n 361.096278 11.57 19473.9614 18603.9927 19748.9527 19360.3907 19207.2797 19436.3181 11.57_387.1666m/z 387.1666319 11.57 8181.5223 8297.6179 8094.6110 8363.0935 8093.4490 8199.8683 11.57_401.1117n 402.1443815 11.57 29243.2076 32895.0979 31415.3058 31877.1964 31648.9109 32192.8990 11.57_464.0784m/z 464.0783602 11.57 735.2342 700.5054 666.1412 752.8943 751.9183 733.2810 11.57_520.0352m/z 520.0352244 11.57 295.1861 154.4816 309.3114 234.1314 290.8775 225.1612 11.57_948.3383m/z 948.3382964 11.57 1191.8505 1480.8315 1379.9287 1292.0139 1423.4548 1376.9421 11.58_301.1415m/z 301.1414964 11.58 3855.3719 3638.7115 3687.3075 3649.9025 3668.9410 3673.1206 C16H22O4 Monoethylhexyl phthalic acid Monoethylhexyl phthalic acid HMDB13248 4376-20-9 HIGH 11.58_305.6235m/z 305.6234554 11.58 309.1602 352.1709 352.9703 291.0484 277.0053 303.6919 11.58_365.1605m/z 365.1605195 11.58 37925.6468 41506.7408 40421.2702 40004.3439 40056.8943 39862.1021 C19H26O8 Neosolaniol MEDIUM 11.58_393.6397m/z 393.6396718 11.58 845.1348 933.5132 924.4232 819.0577 905.4897 879.2687 11.58_421.6187m/z 421.6187128 11.58 122.8336 120.3638 131.1901 96.7939 119.0386 120.1186 11.58_426.1279n 409.1245884 11.58 23728.2696 22480.2280 23448.6991 23233.2221 22933.1474 23073.8080 11.58_433.6304m/z 433.6304442 11.58 151.3933 163.7236 151.7453 208.6543 202.5346 184.0820 11.58_631.6722m/z 631.6721906 11.58 99.9999 130.4147 109.8983 84.1401 29.7448 80.6158 11.58_784.8075m/z 784.8075011 11.58 653.5193 1066.8373 824.2482 798.6719 761.7774 764.0669 11.58_822.7510m/z 822.7509777 11.58 742.6551 925.5399 894.5637 774.5796 751.5866 878.8413 11.58_846.7397m/z 846.7396787 11.58 118.9372 144.1990 143.4862 142.7257 144.3364 149.2588 11.58_870.2401n 893.2447143 11.58 5023.3109 5756.7151 5086.7439 5805.9369 5101.1395 5259.4982 11.58_930.2409m/z 930.2408845 11.58 414.5033 517.8345 465.7785 484.8196 294.1453 357.0034 11.59_1003.3601n 987.3639349 11.59 1097.9485 1400.1741 1388.4895 1132.3863 1002.7647 1048.7272 11.59_1003.8731n 987.8697409 11.59 323.8739 537.0636 431.0923 460.5279 485.1481 402.0212 11.59_105.0704m/z 105.0704338 11.59 989.6413 1050.4023 1017.8776 1027.5291 1034.2772 1005.6613 C8H10O "3,4-Dimethylphenol" 39839 MEDIUM 11.59_117.0704m/z 117.0703919 11.59 432.2951 517.6165 453.4346 475.5929 465.2129 458.3295 C9H8 Indene 33051 MEDIUM 11.59_161.1331m/z 161.1330933 11.59 30286.8155 33214.7813 32329.8339 32310.8892 32066.9596 32257.6471 C12H18O Propofol Propofol 8495 MEDIUM 11.59_193.0597n 216.0597282 11.59 4386.6843 4432.0041 4363.2374 4478.1907 4252.9800 4463.2396 11.59_206.1313n 229.1205265 11.59 41763.4923 45369.3590 44070.4597 43617.1461 43979.8924 43638.4858 C13H18O2 Ibuprofen Ibuprofen 5855 MEDIUM 11.59_211.5640m/z 211.563971 11.59 154.3175 125.8844 160.5423 125.0398 156.0583 133.4988 11.59_226.6129m/z 226.6129311 11.59 516.3199 494.9631 513.7887 529.8258 533.7659 555.3091 11.59_253.5728m/z 253.5727673 11.59 97.2557 95.0717 102.5909 102.7743 97.5414 98.9738 11.59_282.1210n 283.1283066 11.59 20904.9514 19463.3285 20294.4869 20279.3639 20208.6995 20190.1527 11.59_290.5744m/z 290.5743616 11.59 112.5538 137.6033 119.3529 114.2368 154.5670 114.0488 11.59_314.1277m/z 314.1277289 11.59 10162.8118 10163.4550 10296.3261 10112.2643 10505.5954 10536.8119 C17H18FN3O3 Ciprofloxacin Ciprofloxacin 100241 MEDIUM 11.59_328.0667n 346.0870723 11.59 4447.6284 3999.3136 4283.8367 4165.5633 4198.1543 4207.3725 11.59_402.6452m/z 402.6451946 11.59 8698.2791 10476.8701 9561.2689 9611.1088 9916.5515 9780.6873 11.59_405.1530m/z 405.1529802 11.59 305451.6875 338535.7941 330616.4699 330471.8583 333313.1442 336497.8101 C19H26O8 Neosolaniol MEDIUM 11.59_405.3179m/z 405.3179046 11.59 5598.7677 7173.1485 6384.1629 6258.7922 6392.1347 5983.9825 11.59_405.7002m/z 405.7001612 11.59 635.6598 1021.6935 819.5616 705.6335 716.8218 694.9571 11.59_409.1007n 392.0922276 11.59 1770.0957 1623.4823 1815.9185 1724.8974 1767.2700 1737.4265 11.59_415.1941m/z 415.1940502 11.59 5934.7291 6880.4535 6349.6039 6422.4734 6302.2436 6471.4643 11.59_447.0820m/z 447.0820275 11.59 4692.8351 4533.8593 4743.7418 4707.6934 4586.5883 4677.1329 11.59_451.2179m/z 451.2178571 11.59 13440.1011 12505.7728 13009.9083 12792.3288 13156.3483 12835.5915 11.59_475.1829m/z 475.1828934 11.59 8420.2846 9384.0809 8948.1479 8861.5183 9035.7629 8899.2370 11.59_477.1803m/z 477.1802766 11.59 5948.2112 6362.6489 6270.5478 5911.9004 6415.1194 6161.8731 11.59_490.6610m/z 490.6610208 11.59 76.5057 134.3769 76.2596 131.6551 134.1553 96.2247 11.59_497.7209m/z 497.7209024 11.59 64.9221 131.3588 101.9156 87.8735 104.6731 83.6770 11.59_505.2280m/z 505.2279835 11.59 8539.5909 8876.1291 8740.0083 8750.2096 8725.3507 8769.1164 11.59_505.7108m/z 505.7108262 11.59 987.7233 1247.2667 1105.6438 1091.1241 1135.3002 1186.6937 11.59_517.6906m/z 517.6905899 11.59 150.8578 165.9129 173.2912 155.6804 187.5233 157.0802 11.59_531.6649m/z 531.6648577 11.59 503.5152 560.4942 540.0974 519.2948 493.6797 537.2548 11.59_535.6607n 536.6679645 11.59 646.2952 841.4372 715.6838 741.4809 711.7556 774.3150 11.59_536.1768m/z 536.176823 11.59 1720.0004 1643.4212 1856.6146 1722.3660 1804.8006 1669.4288 11.59_543.6487m/z 543.6486918 11.59 177.6282 271.4481 254.4010 290.0951 208.6010 259.4099 11.59_581.1754m/z 581.175447 11.59 2332.4475 2383.8452 2486.5606 2414.6580 2421.9438 2393.1499 11.59_583.1683m/z 583.1683416 11.59 1152.9575 1195.5381 1157.3541 1105.5069 1130.3609 1165.6754 11.59_585.7376m/z 585.7375684 11.59 261.3116 372.2077 292.5607 289.4167 290.5716 278.0129 11.59_593.7274m/z 593.7274351 11.59 10580.3011 13463.4549 11848.2870 11764.8515 12040.0969 12178.9519 11.59_597.1512m/z 597.1511638 11.59 3381.6468 3158.2626 3390.9713 3366.6820 3269.7016 3179.4494 11.59_603.7488n 587.7261891 11.59 420.9163 593.5908 515.5262 449.2846 438.2863 472.3795 11.59_610.2299n 593.2266196 11.59 37873.9273 42597.0740 40742.4261 40233.5005 41116.6516 40627.5130 11.59_611.1060n 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20947.0060 21140.5053 21004.0136 20452.6769 11.69_748.3190n 771.2854655 11.69 15837.0933 16032.3797 16026.3348 15749.8306 16062.6203 15530.5635 11.69_757.8054n 740.8021545 11.69 703.2444 920.3106 893.1794 881.4656 817.2031 874.6021 11.69_762.3236n 763.290704 11.69 5279.4781 5613.7914 5741.9347 5523.5822 5544.7038 5353.6720 11.69_762.4748m/z 762.474823 11.69 375.5900 528.6737 549.7999 419.3058 492.3000 408.0606 11.69_785.2707n 768.267412 11.69 3699.1225 4212.4965 4040.3826 3908.4510 3988.9114 3883.0658 11.69_795.7826n 778.779275 11.69 972.1988 1431.1354 1214.1637 1105.1352 1295.9515 1124.0808 11.69_81.0705m/z 81.07046561 11.69 522.6341 564.1057 560.3163 560.4389 571.8493 559.1761 C6H10O 2-Hexenal HIGH 11.69_820.4771m/z 820.4770656 11.69 797.5565 1388.4739 878.1159 1091.0193 885.6206 1090.0937 11.69_83.0863m/z 83.08633401 11.69 1666.3267 1760.3511 1785.0642 1772.5980 1760.1220 1688.5842 C6H12O Cyclohexanol Cyclohexanol 18099 MEDIUM 11.69_85.0291m/z 85.02905436 11.69 107.9878 85.3699 96.9367 100.7255 113.0210 76.7857 11.69_873.3027m/z 873.3027384 11.69 4277.9850 4998.1785 4415.1567 4519.6730 4375.9968 4583.4753 11.69_881.3308m/z 881.3308284 11.69 7080.3232 8295.7826 7263.9131 7797.4996 7274.0663 7398.7599 11.69_886.3843n 887.3354294 11.69 5068.2323 5367.8013 5243.4373 4918.9581 5208.0769 4968.6791 11.69_893.3560n 877.3334132 11.69 5277.7595 6063.3784 5508.6020 5738.3111 5399.8528 5509.7543 11.69_906.3540m/z 906.3540204 11.69 6490.8516 7423.5828 6859.3932 6714.9410 6833.7960 6439.8172 11.69_911.9005n 912.8738792 11.69 1172.9628 1702.6832 1455.9059 1214.1606 1463.1528 1379.7475 11.69_913.3853n 897.3627522 11.69 10622.4259 11818.9843 11894.2303 10344.5183 11510.7413 10699.4841 11.69_917.9021n 901.8795478 11.69 691.0018 1028.5132 893.5118 976.8490 939.9142 961.7498 11.69_918.3853n 941.3248644 11.69 5831.6138 6425.1151 6535.5688 5790.2335 6466.9534 5713.7275 11.69_921.3266m/z 921.3266345 11.69 7353.7474 8226.6971 8055.9451 7788.1901 7794.1735 7284.4462 11.69_925.8687m/z 925.8687437 11.69 801.4291 967.9711 967.5740 808.3449 889.8677 988.7586 11.69_935.2998m/z 935.2998422 11.69 5241.2558 6085.1334 5516.3279 5520.0149 5712.4044 5524.6801 11.69_936.8829n 937.861072 11.69 1474.5939 1959.1973 1907.0728 1908.6239 1744.4291 1886.2384 11.69_960.3279m/z 960.3279177 11.69 4741.2926 5949.5364 5649.7155 5208.6739 5680.0447 5269.0736 11.69_960.8794n 961.8485302 11.69 1410.3352 1869.4746 1755.6056 1735.8682 1829.5742 1834.5077 11.69_964.3410n 947.3377386 11.69 7806.8865 9363.6096 8628.4432 8256.7231 8589.6538 8318.6903 11.69_969.8455m/z 969.8454989 11.69 755.1509 938.0955 987.5773 820.4910 903.0298 912.8810 11.69_97.1017m/z 97.10171171 11.69 190.6805 210.8120 241.4114 201.0021 196.8909 205.2972 C7H14O Heptanal HIGH 11.69_972.3280n 995.3342445 11.69 1991.7204 2248.9376 2052.3912 1777.7260 2145.2465 1898.0145 11.69_973.3536n 974.3303095 11.69 5998.5526 7217.5531 6323.4544 6213.9499 6354.2367 6128.0743 11.69_996.8333m/z 996.8333244 11.69 283.8158 334.6302 231.8887 244.3605 272.9489 253.6742 11.70_154.9865m/z 154.9864871 11.70 461.5483 392.3849 419.1688 427.3655 417.9270 445.7429 11.70_212.0385m/z 212.0385101 11.70 761.3103 717.9099 794.4787 838.9245 765.6528 707.1472 11.70_264.0078n 247.9604165 11.70 2888.5448 2536.8395 2702.0921 2738.1179 2715.8014 2675.4360 11.70_274.2738m/z 274.2738194 11.70 10202.4955 8280.0727 9519.0992 9897.5832 9355.6966 9304.0379 C16H32O2 Palmitic acid Palmitic acid 15756 HIGH 11.70_279.9876m/z 279.9876165 11.70 1385.9327 1203.6447 1363.0730 1328.5623 1306.3715 1345.0503 11.70_304.9659m/z 304.9658923 11.70 519.3614 447.4476 474.8886 485.3145 475.3055 462.5874 11.70_433.6449m/z 433.6448704 11.70 92.0594 129.2759 82.6489 82.0427 89.7346 77.8098 11.70_505.0427m/z 505.0426719 11.70 517.9432 674.2270 604.2700 615.2639 564.2693 576.9888 11.70_574.7458m/z 574.745829 11.70 325.9199 485.0130 431.3111 418.5306 440.6085 398.2575 11.70_599.7304m/z 599.7303867 11.70 241.3276 334.1271 278.0059 231.2335 317.2919 246.8226 11.70_742.3124n 725.309152 11.70 5283.2928 5321.1405 5298.8483 5256.8934 5335.8897 5067.4297 11.70_759.7928m/z 759.7927943 11.70 577.6789 749.4669 711.6460 630.1779 656.7277 630.8117 11.70_783.7986n 784.7867088 11.70 1305.2329 1687.0009 1511.7536 1616.9003 1450.3706 1571.6857 11.70_788.7866n 771.7832885 11.70 802.2569 1042.1329 943.8566 927.4306 940.4681 988.5191 11.70_791.7798m/z 791.7798395 11.70 443.3871 467.0344 505.3424 477.2775 513.6043 541.0566 11.70_799.3143m/z 799.3143261 11.70 2859.1594 3333.8709 3027.7675 2963.7531 3087.7701 3022.1879 11.70_801.3144m/z 801.3144475 11.70 2423.5015 2479.2131 2508.1008 2297.6085 2558.6189 2393.3822 11.70_830.2633m/z 830.2633187 11.70 2876.4309 3276.5322 3139.1162 2991.4923 3221.0475 2992.6920 11.70_843.2662m/z 843.2661989 11.70 4641.9311 5150.2602 4811.0880 4582.7758 4793.8358 4597.0868 11.70_993.8450n 976.8416873 11.70 627.6332 958.0629 810.9338 828.9817 780.1235 838.0494 11.71_209.1167m/z 209.1166794 11.71 9945.0850 10693.1641 10608.4318 11146.2019 10375.4748 10565.3236 11.71_251.1245m/z 251.1245203 11.71 15143.7332 14356.9481 15116.3991 15237.5035 15000.8659 14702.6797 11.71_467.1516m/z 467.1515977 11.71 22376.3389 25064.5943 23611.8703 24006.0485 23659.1570 23689.1084 11.71_516.0615m/z 516.0615014 11.71 349.3887 258.1491 331.0943 258.5114 288.9649 269.5654 11.71_832.2999n 815.2966236 11.71 9967.6198 10509.2940 10853.1465 9699.1627 10567.4876 9757.1127 11.71_839.2683m/z 839.2683114 11.71 5941.2537 6972.7428 6561.9599 6359.7326 6397.3297 6247.7513 11.72_209.1533m/z 209.153294 11.72 7202.2481 5446.1563 6444.0049 6584.0023 6298.7949 6248.1588 11.72_235.1299m/z 235.1299439 11.72 4090.0026 3461.4930 3574.2745 3542.1762 3678.5848 3695.1381 C10H11N5O Pymetrozine Pymetrozine 39311 MEDIUM 11.72_237.1845m/z 237.1844839 11.72 483.9110 509.7082 510.2530 465.0264 455.8917 435.6438 C13H26O2 Methyl dodecanoate Methyl dodecanoate MEDIUM 11.72_311.1492m/z 311.1491792 11.72 7494.0735 6638.8436 7025.3928 7061.0749 7044.2190 7022.9478 11.72_453.2116m/z 453.2116238 11.72 4328.1405 4153.5913 4294.6747 4234.9153 4272.6538 4125.6465 11.72_498.0825m/z 498.0825261 11.72 1861.1785 1929.4832 2033.4830 1884.2892 1878.7604 1945.3424 11.72_500.1212n 483.1179066 11.72 5423.8716 5754.0639 5479.0851 5749.9366 5499.8051 5419.6928 11.72_506.1367n 507.0809434 11.72 3288.8466 3372.5379 3419.5808 3166.3475 3348.1586 3221.0148 11.72_507.2551m/z 507.2550936 11.72 4687.4592 4527.2415 4593.0783 4740.8638 4528.4288 4546.1705 11.72_509.0818m/z 509.0818075 11.72 835.4419 885.4370 824.0552 813.9501 851.3230 846.3234 11.72_511.0830m/z 511.0830497 11.72 614.4548 595.0718 620.5142 659.5210 630.0072 618.7137 11.74_189.0689m/z 189.0688558 11.74 2264.2042 1993.7086 2161.0148 2015.8392 2196.5910 2141.1826 11.75_276.1977m/z 276.1977097 11.75 665.8169 855.1854 766.0584 748.1523 674.0994 701.4219 C17H22O2 Oenanthotoxin MEDIUM 11.75_427.2631m/z 427.2631189 11.75 5252.2075 4882.5110 4862.8828 5016.6523 5026.3144 4917.9617 11.76_123.1172m/z 123.1172039 11.76 129.8216 108.1042 106.2603 110.6202 123.0921 117.6125 C9H16O 2-Nonenal MEDIUM 11.76_377.2252m/z 377.2251903 11.76 2573.3965 2321.6734 1865.4127 1817.5789 2202.3222 2156.8324 11.76_426.1514n 409.148088 11.76 9432.0861 10295.2107 10076.7096 10116.1154 9977.5947 9888.7365 11.77_347.0800m/z 347.0799595 11.77 1071.0813 1006.8751 1020.6614 1030.4308 1067.8353 1005.1950 11.77_368.2753m/z 368.2752525 11.77 859.7576 1140.8088 1070.1770 1017.7501 956.3393 968.8112 11.79_263.9034m/z 263.9033757 11.79 311.4136 239.9350 256.5959 289.8885 249.2278 277.0436 11.80_268.6097n 286.6379629 11.80 115.4129 116.3281 133.5998 104.7317 152.0259 133.2986 11.80_83.0219m/z 83.02185691 11.80 101.8056 73.8515 97.3298 107.8182 117.3970 120.9350 11.81_223.0611m/z 223.0610612 11.81 2183.5168 1755.8821 1847.7097 1802.9495 1796.2541 1949.4092 11.81_485.2341m/z 485.2340972 11.81 16894.4698 17200.3646 16886.5323 17107.9411 17046.8315 16788.1137 11.81_501.2032m/z 501.2031626 11.81 3150.0328 3308.0326 3365.4837 3289.0086 3350.9245 3261.3049 11.84_352.9840m/z 352.9839683 11.84 1015.1201 838.3497 926.4139 905.3853 871.8844 885.5643 11.84_98.9864m/z 98.9863834 11.84 895.4406 751.1871 838.5110 878.2701 940.9558 964.5320 11.85_214.2528m/z 214.2527773 11.85 196.8132 155.7319 189.7444 153.1769 173.1965 161.2800 11.85_299.1928n 283.1701884 11.85 2982.9740 3475.7472 3220.1465 3183.7351 3094.7465 3049.5856 11.85_348.9897m/z 348.9897272 11.85 3601.9590 2936.8059 3304.3016 3442.6076 3269.2482 3337.1489 11.85_350.9868m/z 350.9868103 11.85 3584.6648 2891.9716 3239.9259 3302.3905 3253.1170 3264.5767 11.86_123.0423m/z 123.0422503 11.86 736.0233 605.0678 681.5890 664.2328 624.6731 659.1260 11.86_164.0809m/z 164.0809067 11.86 283.3202 238.3028 280.4784 291.5540 264.8706 263.3004 11.86_247.1219m/z 247.1218954 11.86 1541.7368 1400.4777 1585.6835 1457.0678 1547.3252 1426.6767 11.86_289.2145m/z 289.2145463 11.86 1381.9594 1606.3162 1416.4441 1370.4794 1550.6167 1556.4247 C19H28O2 Testosterone Testosterone 17347 MEDIUM 11.86_641.3367n 664.3284337 11.86 4265.1032 4569.6890 4402.8277 4293.1943 4423.6765 4375.9396 11.87_230.2475m/z 230.247549 11.87 927.7585 769.7482 837.3797 888.5921 832.4226 850.2906 11.87_240.2682m/z 240.2681677 11.87 309.5933 223.1726 262.4595 254.1883 251.1774 221.9326 11.87_258.2786m/z 258.2786065 11.87 462.2988 381.1856 399.4649 468.2879 386.1257 432.6817 11.87_331.6458m/z 331.6457978 11.87 59.2016 85.6561 64.4319 75.2435 92.7803 69.0812 11.87_372.2655n 355.2622331 11.87 5703.8675 6446.6742 5790.3014 5808.9305 5904.0025 5891.1612 11.87_431.2730m/z 431.2730498 11.87 4868.1539 5342.9986 5082.2742 5075.4961 5165.4666 5053.5714 C24H40O5 Cholic acid Cholic acid HMDB00619 HIGH 11.87_493.2520m/z 493.2519798 11.87 3514.7469 3373.6514 3462.5047 3545.1975 3522.3972 3479.2247 11.87_97.0656m/z 97.06557916 11.87 81.8679 36.3314 87.7085 60.0558 84.1988 71.3041 C6H10O2 4-Hydroxyhexanal MEDIUM 11.88_315.2308m/z 315.2308116 11.88 176.1414 204.7344 193.4287 209.2800 171.4912 182.6939 11.88_448.2990m/z 448.2990196 11.88 3655.3102 3803.7422 3616.1209 3642.9795 3741.9698 3579.6520 11.88_623.3125n 624.3198053 11.88 38574.7924 38929.1981 39205.7124 40044.7977 39500.5666 39144.9496 11.88_677.3070m/z 677.306971 11.88 3917.6625 3850.5420 3907.7790 3901.4970 3984.7378 3812.5555 11.89_263.0572m/z 263.0572139 11.89 14744.1616 11406.4570 12715.5880 10700.3846 12720.5905 12458.5215 11.89_476.2267m/z 476.2266564 11.89 10111.5459 11087.0379 10247.4322 10677.3340 10257.4776 10282.6755 11.90_230.8532m/z 230.853171 11.90 378.0781 267.2917 319.2691 314.0444 325.8745 330.8673 11.91_179.1433m/z 179.1433404 11.91 107.0328 106.4924 108.5406 102.6793 100.7975 96.2993 11.91_270.1959n 271.1986458 11.91 6439.9817 6495.6773 6446.9637 6191.8168 6477.5980 6365.5306 11.91_487.2299m/z 487.229882 11.91 10740.1993 11995.6660 11535.6421 11391.7478 11648.7397 11571.7973 11.92_256.2630m/z 256.2629849 11.92 201.2068 130.2251 164.6772 139.8414 199.4704 139.2813 11.92_277.0724m/z 277.072437 11.92 4445.4852 3612.4923 3911.7066 3404.1664 3855.0705 3943.0743 11.92_327.1755m/z 327.1755458 11.92 5825.7812 5123.6094 5429.2805 5553.9296 5529.9186 5510.2095 11.92_386.2890m/z 386.2889907 11.92 405.4299 532.7851 533.0118 494.0850 511.5314 432.5204 11.92_395.1841m/z 395.1840987 11.92 9416.3038 9513.0843 9416.4599 9213.7492 9613.7011 9316.2856 C22H28O5 Pyrethrum 39098 MEDIUM 11.92_549.2016m/z 549.2016339 11.92 2931.1081 3109.8743 3391.7380 3168.2538 3169.8005 3231.4460 11.92_81.0709m/z 81.07085655 11.92 80.1415 85.5774 83.5945 84.5989 88.4777 72.9113 C6H10O 2-Hexenal MEDIUM 11.93_699.3715n 700.3788169 11.93 6797.7986 7154.0417 7047.7131 7264.9059 7113.8255 6976.9081 11.95_199.6177m/z 199.6176522 11.95 276.6972 584.4327 365.9782 385.8215 370.5026 373.9159 11.95_200.1171m/z 200.1170525 11.95 458.5775 560.2633 470.4820 469.5060 455.8247 511.0672 C12H13N3 Pyrimethanil MEDIUM 11.95_215.5928m/z 215.5928154 11.95 73.6666 184.7246 99.9995 134.7955 98.8674 122.3159 11.95_216.6121m/z 216.6121236 11.95 904.4596 1847.3257 1279.4163 1409.6622 1241.8608 1370.5133 11.95_219.5895m/z 219.5895403 11.95 171.0266 419.9219 250.2752 297.7978 264.3583 297.0788 11.95_224.6098n 207.6065275 11.95 3376.1358 7199.1928 4473.1503 5092.9089 4424.1816 5184.7453 11.95_237.6218m/z 237.6217807 11.95 38.6857 102.3958 88.9217 82.6879 69.4132 93.8812 11.95_279.8650m/z 279.8650154 11.95 1916.5460 1245.7258 1634.5048 1685.2952 1572.0147 1547.1589 11.95_375.2521n 398.2413364 11.95 181036.3572 376342.1711 246383.3395 273844.0499 244268.2269 270345.0707 11.95_423.3230n 446.2293671 11.95 8685.0975 9516.9698 8974.2741 8963.8057 8982.0141 8988.7525 11.95_435.3324m/z 435.332378 11.95 6187.1626 11904.8465 8218.2418 8812.1642 7923.2957 8463.4832 11.95_437.3392n 460.2117838 11.95 7455.4108 12459.7504 9065.9973 9798.4741 8908.1390 9629.1388 11.95_449.3476m/z 449.3475834 11.95 2651.0625 4119.4877 3309.1432 3381.2334 3218.3834 3272.0990 11.95_475.3634m/z 475.3634356 11.95 1847.8144 3541.4861 2428.0492 2581.6726 2327.0497 2456.6751 11.95_549.2679m/z 549.2678839 11.95 9783.3289 10096.8190 10060.3072 9988.1120 10048.4001 9934.7206 11.95_557.2995m/z 557.2995392 11.95 12619.0713 12371.8587 12590.0317 12786.7305 12371.8156 12385.3767 11.97_190.9508m/z 190.9507519 11.97 363.6774 251.4080 313.0806 352.6292 314.2456 371.0144 11.97_230.1126m/z 230.1125675 11.97 92.1333 224.9691 153.5431 83.5091 144.4814 100.7028 11.98_137.0280m/z 137.0279616 11.98 112.2177 152.5019 183.3651 188.6963 169.5097 209.1072 11.99_206.1663n 189.1630034 11.99 650.8539 769.6287 693.8849 603.0109 664.8030 671.7086 C14H22O 4-tert-octylphenol 140-66-9 MEDIUM 11.99_225.1845m/z 225.1845473 11.99 189.3455 202.8326 188.7027 194.2542 187.6515 178.2055 11.99_441.2097m/z 441.2096773 11.99 24255.4709 25338.6653 25106.5581 24943.6160 25322.5752 25031.8469 11.99_472.1439m/z 472.1439172 11.99 2473.6740 2701.8615 2447.7990 2690.7994 2476.1821 2601.7302 11.99_83.0227m/z 83.02270273 11.99 199.0101 144.2420 189.2344 199.7590 189.8409 216.4689 12.01_178.9599m/z 178.9599369 12.01 189.8053 66.3584 133.2202 156.6422 127.5885 157.0907 12.01_186.1854m/z 186.185361 12.01 206.3734 162.0999 148.1660 166.6678 192.1741 120.3316 12.01_827.3581m/z 827.3580819 12.01 314.9855 520.9395 368.1829 273.6774 285.7287 301.7838 12.02_149.1330m/z 149.1330152 12.02 103.7835 88.1281 128.0345 63.5202 111.4568 63.0414 12.02_256.1956m/z 256.1955881 12.02 1169.3054 1316.2662 1219.1171 1276.7350 1233.2869 1190.3345 12.02_409.1357m/z 409.1357183 12.02 1367.0554 1516.7234 1530.9418 1434.7402 1368.4568 1472.4101 C20H19F3N2O4 Trifloxystrobin MEDIUM 12.02_415.1592m/z 415.1592147 12.02 2581.0651 2635.8796 2694.8666 2659.8182 2658.1641 2682.2965 12.04_163.9772m/z 163.9772496 12.04 98.1954 74.0772 94.2355 72.6932 80.0798 81.2374 12.04_288.2892m/z 288.2892286 12.04 268.0328 433.9177 285.3956 397.7256 297.8421 339.1730 12.04_374.2810n 357.2776801 12.04 470.1994 531.0959 538.5773 434.3506 516.0712 435.0615 12.05_217.0331m/z 217.0330839 12.05 766.9695 783.1461 721.8712 700.2875 707.0077 649.7310 12.05_230.2475m/z 230.2475121 12.05 485.1981 404.2994 433.9518 446.8644 448.9425 474.8096 12.05_291.1512m/z 291.1511973 12.05 5061.8177 4767.5672 5009.6902 5119.6197 5026.0891 4983.2822 12.05_310.1725n 333.1672242 12.05 13758.3385 12528.2931 13139.1876 13858.0851 13289.1209 13597.5004 12.06_207.0945m/z 207.0944658 12.06 4464.3533 5171.3470 4636.7516 4808.6481 4670.7316 4787.3488 12.06_340.2012n 363.1942876 12.06 5062.5312 5418.4882 5615.4229 5540.9488 5485.0330 5453.3210 12.06_458.2144m/z 458.2143715 12.06 7246.2866 8091.7989 7773.7932 7537.5961 7926.9409 7853.4563 12.06_491.2605m/z 491.2604703 12.06 4418.1587 4629.3253 4506.9272 4592.5434 4601.8968 4602.8350 12.07_295.2229m/z 295.2229135 12.07 3040.0776 2514.4814 2687.0100 2805.6265 2822.1187 2824.0676 12.08_596.4731m/z 596.4730789 12.08 335.8611 286.5335 308.3120 340.9545 317.3995 313.3613 12.10_212.0386m/z 212.0386382 12.10 1038.3613 895.5585 965.3424 946.3350 970.2714 955.4954 12.10_247.0056m/z 247.0055689 12.10 180.2541 267.0064 258.6439 166.4343 192.6053 218.2747 12.10_286.2272n 309.2004708 12.10 13503.0610 11982.0430 12557.7889 12548.3779 12641.5927 12435.3588 12.10_417.1447m/z 417.1447436 12.10 4035.3125 4217.6171 4295.6821 4186.5577 4196.6104 4214.9841 12.10_505.0424m/z 505.0424228 12.10 461.3377 628.4165 520.5664 509.3123 475.2232 531.6890 12.10_507.0398m/z 507.0397706 12.10 289.2872 404.9815 319.5995 340.2857 318.4419 312.8945 12.11_81.0705m/z 81.0704977 12.11 183.0682 172.3822 165.2943 167.0371 159.2834 156.4739 C6H10O 2-Hexenal MEDIUM 12.11_83.0864m/z 83.08637416 12.11 67.0896 87.3997 81.1498 67.7330 87.6213 88.9006 C6H12O Cyclohexanol Cyclohexanol 18099 MEDIUM 12.12_245.1512m/z 245.1512477 12.12 723.3437 607.3645 600.5215 594.3640 694.7789 638.9986 12.12_277.1772m/z 277.1771747 12.12 5947.4269 5336.6482 5682.1054 5652.7742 5680.7397 5632.2354 12.12_485.2371m/z 485.237143 12.12 3489.2457 3678.0211 3501.4470 3572.6039 3545.0218 3598.9091 12.13_297.6333m/z 297.6332615 12.13 77.8724 110.4241 91.5567 105.9898 91.2932 102.0665 12.14_353.1578m/z 353.1577909 12.14 900.5661 531.9804 439.7172 385.9651 573.1167 695.3243 12.14_828.3214m/z 828.3213657 12.14 478.9225 734.7324 605.0795 648.2860 588.9706 574.1664 12.15_265.9040m/z 265.9040231 12.15 299.9373 211.4733 231.0165 265.0518 268.8201 250.1266 12.15_282.9081m/z 282.9081496 12.15 212.9782 199.4935 212.2552 233.8978 179.0946 194.0272 12.16_230.8537m/z 230.8536814 12.16 223.0736 177.7593 200.8164 200.5838 198.2048 208.8193 12.16_263.9046m/z 263.9046314 12.16 404.4004 275.1805 375.0856 363.2536 345.4679 306.8727 12.16_355.2601m/z 355.2601371 12.16 667.1628 803.5464 591.2120 852.0501 605.7301 661.5113 12.16_368.2783m/z 368.2782786 12.16 754.9805 1317.5651 1209.7436 1243.1631 917.6714 1036.2518 C21H34O4 Carbacyclin MEDIUM 12.16_607.3082m/z 607.3082373 12.16 9738.2962 9501.8918 9536.9522 9792.3870 9725.8699 9633.7316 12.17_295.2249m/z 295.2248979 12.17 2575.2711 2335.9699 2341.8415 2609.2696 2281.5529 2339.7584 12.17_640.4982m/z 640.4981683 12.17 526.3772 421.8291 434.5800 492.5866 493.3858 448.4413 12.18_139.9252m/z 139.9252326 12.18 142.9514 108.4019 119.8923 101.5132 106.2188 83.7790 12.18_158.9299m/z 158.9298936 12.18 993.4698 822.1071 1012.7785 1020.1288 1051.9334 1083.7305 12.18_208.9778m/z 208.977801 12.18 107.8991 60.7094 105.9522 103.5381 156.2652 84.8811 12.18_222.9236m/z 222.9236263 12.18 1176.8369 537.1115 967.2119 940.3949 751.2546 925.7246 12.18_491.2610m/z 491.2609862 12.18 4287.8187 5189.1105 4242.6530 5126.8344 4339.6386 4840.9182 12.19_217.9293m/z 217.9292908 12.19 85.5788 67.1818 104.4322 71.0363 63.1075 96.8717 12.19_249.1831m/z 249.1831281 12.19 8944.1170 8087.5052 8025.3522 8156.3054 8201.0997 8124.8265 12.19_331.7431m/z 331.7431255 12.19 128.7213 109.8865 141.8361 140.0068 135.0854 101.7054 12.19_83.0230m/z 83.02297515 12.19 225.0734 182.2651 233.8578 234.4694 238.1575 242.8634 12.20_179.1438m/z 179.1437863 12.20 124.3469 111.0580 110.7094 129.6865 115.0777 106.3427 12.21_121.0300m/z 121.0299944 12.21 1753.5742 1532.3040 1750.4080 1668.3424 1750.2263 1668.4847 12.21_166.0633n 167.0706245 12.21 10479.3607 9185.5991 10845.6736 10030.5440 10217.0972 10734.3417 C9H10O3 Ethylparaben HIGH 12.21_195.1007m/z 195.1007104 12.21 4063.6776 3615.4345 4164.8225 3871.9241 3946.0768 4050.4675 C11H14O3 Butylparaben HMDB32575 94-26-8 HIGH 12.21_279.0542m/z 279.0542415 12.21 4319.1273 3396.7376 4303.1057 3995.4952 4128.2234 4206.8718 12.21_645.1586m/z 645.1585911 12.21 2328.6228 2052.2459 2176.9899 2290.6280 2048.1017 2178.5985 12.21_95.0498m/z 95.0497688 12.21 938.3984 857.4971 983.3586 887.7121 924.7533 946.6410 C6H6O Phenol Phenol 15882 MEDIUM 12.22_658.1916n 641.1882774 12.22 3377.9761 3326.4503 3418.3620 3226.1348 3530.0428 3330.9572 12.22_662.1292n 663.1365249 12.22 1674.2418 1621.4427 1802.1367 1689.6043 1842.0749 1708.4663 12.22_700.3094m/z 700.309393 12.22 3305.7319 3282.5652 3467.7958 3264.4567 3354.0915 3227.7551 12.23_105.0702m/z 105.0702154 12.23 157.8079 206.0189 199.4746 160.9761 166.0026 161.1271 C8H10O "3,4-Dimethylphenol" 39839 MEDIUM 12.23_146.1040m/z 146.1040375 12.23 86.1196 115.0388 92.2321 100.4189 76.3074 105.6738 12.23_147.1170m/z 147.1169884 12.23 579.9437 629.8788 603.6705 541.9716 567.1563 662.6837 12.23_149.1327m/z 149.1326619 12.23 193.4236 209.7361 151.5611 206.2675 181.2940 182.7938 12.23_173.1322m/z 173.1322381 12.23 852.0062 999.7313 920.9300 1047.3273 916.0274 875.2019 12.23_199.1480m/z 199.1480356 12.23 1722.0550 1841.0536 1778.5678 1755.5565 1765.6019 1818.1999 12.23_201.1629m/z 201.1628712 12.23 233.9272 235.2661 217.7829 229.2210 238.1701 207.0568 12.23_215.1790m/z 215.1790244 12.23 1374.8014 1570.7587 1450.1026 1427.0684 1431.2206 1490.4012 12.23_272.2139n 255.2106337 12.23 26295.9685 31258.1946 28833.5385 28974.7151 29104.9990 29143.6730 12.23_291.2305m/z 291.2304734 12.23 1550.8150 1636.7144 1599.4810 1510.4557 1575.6753 1589.4309 C19H30O2 Etiocholanolone Etiocholanolone HMDB00490 HIGH 12.23_295.5860m/z 295.586017 12.23 28.9044 34.8154 53.5167 18.5554 33.7985 55.8509 12.23_431.2418m/z 431.2418008 12.23 14152.1298 16543.1398 15393.5663 15440.5525 15496.3700 15582.1352 12.23_445.1999m/z 445.1998918 12.23 2438.0577 2393.7626 2502.6884 2423.6246 2421.2153 2456.9449 12.23_466.2557n 489.2452001 12.23 111080.4117 122945.4488 118325.1639 118433.5559 119209.7123 119058.0866 12.23_467.2492m/z 467.2491871 12.23 10520.4216 9995.9568 10402.6974 10473.8422 10406.9113 10448.8398 12.23_486.7377m/z 486.7377394 12.23 218.3070 284.9253 253.4121 228.1130 216.7855 249.5269 12.23_493.2297m/z 493.2296509 12.23 3914.8108 3815.4053 3932.7754 3948.6981 4022.3907 3986.3150 12.23_497.2354m/z 497.2353694 12.23 2810.0518 2771.3216 2794.1895 2863.0114 2796.2210 2846.8242 12.23_497.7275m/z 497.7275167 12.23 283.9818 422.1713 356.7824 359.0306 338.9662 337.5901 12.23_504.2070n 505.2142991 12.23 12743.9843 13414.9379 13309.9632 13384.4255 13485.6761 13600.4500 12.23_505.7110m/z 505.7110436 12.23 216.0443 237.2783 203.9360 236.9905 221.8509 211.9739 12.23_521.2623m/z 521.262277 12.23 14304.5018 14128.2181 14310.9640 14376.3381 14425.3567 14506.4580 12.23_528.2343n 551.2356492 12.23 48707.2795 48883.1146 49575.1959 49794.7065 49776.4786 49609.1465 12.23_539.2737m/z 539.2737148 12.23 25665.3058 24194.2284 25095.8084 25284.3998 25124.5940 24723.0766 12.23_560.2622n 561.2040723 12.23 10261.8983 10466.2815 10395.9792 10483.5998 10446.1635 10487.7135 12.23_563.2025m/z 563.2024573 12.23 13058.9960 13340.9288 13500.7299 13472.6562 13736.1839 13638.1241 12.23_572.2560n 555.2527169 12.23 12757.2121 12429.0918 13442.4800 12564.5836 13292.6272 12760.8690 C30H40N2O7S Antimony pentasulfide MEDIUM 12.23_577.1906m/z 577.1906247 12.23 1749.9249 1973.4769 1965.3540 1913.4181 1964.7280 1944.8867 12.23_592.1969n 575.1936554 12.23 2708.8694 2803.0455 2967.5177 2723.0193 2988.6164 2874.7365 12.23_650.1330m/z 650.13305 12.23 2864.9515 2805.7862 3034.5118 2929.9444 2960.0371 2961.6192 12.23_660.1278n 661.1350893 12.23 1381.7828 1392.9996 1513.9494 1594.0962 1510.9622 1538.7324 12.23_684.5240m/z 684.524045 12.23 606.7320 458.6082 610.5948 484.4983 641.2227 534.6182 12.23_691.1126n 674.109336 12.23 2696.9522 2620.8920 2798.5528 2569.9666 2683.6911 2602.8206 12.23_696.2053m/z 696.2052727 12.23 1074.2133 1236.2681 1227.6314 1264.1624 1194.4177 1249.0369 12.23_699.2354n 682.2321377 12.23 2433.5077 2527.7429 2403.5660 2605.1186 2439.8638 2478.6741 12.23_703.1268n 704.2607084 12.23 2068.7881 2067.1273 2176.7291 2062.8531 2166.4981 2107.7348 12.23_718.3543n 719.3616047 12.23 3141.0116 3778.0055 3575.8002 3388.6658 3575.6871 3523.6987 12.23_719.8649m/z 719.8648614 12.23 421.2267 864.5737 662.6479 598.6083 600.1053 603.2972 12.23_733.3497m/z 733.3496715 12.23 1930.1262 2097.1658 2013.1430 1947.6571 2030.5620 2005.3186 12.23_737.3308n 738.3380421 12.23 2735.9505 3511.8591 3138.0123 3000.6997 2905.7687 2971.4425 12.23_738.8384m/z 738.8383914 12.23 201.3257 444.1534 335.7217 331.6502 316.4079 330.3356 12.23_745.3126n 746.3198852 12.23 642.9841 1000.3609 720.4067 886.2991 802.9469 713.2149 12.23_747.8586n 730.8552945 12.23 323.9859 658.6871 442.4919 461.9403 478.3149 521.9254 12.23_753.3128n 754.3201049 12.23 336.1990 636.7321 437.3840 495.3334 497.0837 534.5532 12.23_756.3250n 779.3346714 12.23 1796.3063 2386.5849 2158.9996 2237.6178 2180.1806 2203.8136 12.23_765.3300n 749.3474007 12.23 1972.4786 2167.1843 2087.4642 2054.3885 2079.7735 2002.2824 12.23_766.8312n 750.8227091 12.23 398.4178 946.3443 615.6051 645.7874 636.7975 646.9950 12.23_785.8284n 769.8057746 12.23 448.0830 969.1679 733.8241 841.5007 796.5348 644.8450 12.23_789.3198m/z 789.3197509 12.23 353.3550 579.4177 437.1882 462.2206 519.4637 459.9072 12.23_803.3498n 787.3272263 12.23 1125.9396 1595.9992 1446.8054 1306.3715 1400.0788 1305.9343 12.23_81.0705m/z 81.07046184 12.23 121.4495 122.2556 115.6869 114.1613 126.2066 114.8614 C6H10O 2-Hexenal MEDIUM 12.23_819.3761m/z 819.3761172 12.23 512.1156 744.0258 597.5820 648.4986 559.0910 571.5059 12.23_824.2525n 847.3245676 12.23 289.0032 549.6444 261.3879 316.2566 392.5750 340.7763 12.23_861.3420m/z 861.3420277 12.23 234.6436 417.6625 254.1003 248.1481 214.9637 219.1356 12.23_955.4988m/z 955.4987669 12.23 9663.2912 15594.0358 12097.9033 12012.9309 12225.9035 11966.3597 12.23_970.4581n 971.4653584 12.23 8099.4125 11355.8247 9375.7132 9618.9489 9400.5899 9372.9399 12.23_986.4311m/z 986.43113 12.23 4837.3515 6963.4086 5629.6921 5575.6113 5747.0767 5698.0306 12.23_994.4846n 995.4331108 12.23 7232.3392 10436.6031 8558.8907 8393.9157 8670.0232 8542.6455 12.24_267.0915m/z 267.0914673 12.24 1161.5036 1006.8149 1137.8290 1108.7760 1176.1706 1059.1790 12.24_353.7563m/z 353.7562589 12.24 309.9541 236.5689 328.5882 252.7259 326.6863 341.0583 12.24_486.9714m/z 486.9713592 12.24 170.1089 242.5949 209.9426 239.6599 197.3494 208.8571 12.24_768.3494n 769.35668 12.24 2653.2128 2932.1108 3000.7469 2749.9727 2940.9139 2839.3471 12.24_799.3896m/z 799.3896398 12.24 1633.5628 1573.0897 1678.5819 1560.4129 1591.3157 1447.9332 12.24_804.3862n 805.3934748 12.24 1146.0530 1285.9434 1261.7566 1083.6421 1122.0902 1179.7116 12.24_814.3453m/z 814.3453359 12.24 875.6398 989.7595 1016.6630 817.2988 980.1969 861.4465 12.24_840.2404n 823.3601755 12.24 901.0132 1292.0556 1101.9519 1083.5842 987.9049 964.1964 12.24_842.3045n 843.3117277 12.24 1078.1826 1374.4221 1115.9797 1016.3586 985.1244 966.6948 12.24_911.2458m/z 911.2457623 12.24 350.2035 503.5857 469.9298 373.6668 473.9117 319.9695 12.24_93.0701m/z 93.07014819 12.24 120.0272 114.8567 120.1193 110.9900 99.4158 107.6761 C7H8 Toluene Toluene 17578 MEDIUM 12.25_139.1121m/z 139.1121212 12.25 125.2766 105.9784 126.4070 124.8790 125.1901 137.2048 C9H16O2 4-Hydroxynonenal 58968 MEDIUM 12.25_175.1060m/z 175.1059798 12.25 5000.6634 4835.9802 5005.2948 5042.1644 4882.1056 4941.8638 12.25_195.1739m/z 195.173891 12.25 48.2942 60.4060 60.6288 73.2544 70.8236 46.6490 12.25_294.1813n 317.1717345 12.25 28023.7968 24535.5969 26901.1200 27739.1561 26641.4662 27234.7104 C17H26O4 6-Gingerol MEDIUM 12.25_893.4819m/z 893.4819287 12.25 334.8705 495.2262 329.6977 350.4596 328.8055 297.9980 12.26_172.1695m/z 172.1695152 12.26 1466.1156 968.0246 891.5340 1103.5932 754.6691 629.1192 C10H18O 4-Decenal MEDIUM 12.26_404.2532n 405.2604289 12.26 9902.1626 10721.4569 10534.9650 10440.5478 10493.9069 10500.8765 C24H36O5 Lovastatin Lovastatin 40303 HIGH 12.27_263.9062m/z 263.9061504 12.27 256.4691 223.7553 266.9831 278.8441 261.3281 270.5021 12.28_299.1771m/z 299.177056 12.28 4805.2513 4337.7241 4658.0794 4611.5425 4597.9521 4678.7592 12.28_375.7701m/z 375.7701154 12.28 691.0476 592.5705 565.2893 622.0684 650.1360 700.0598 12.28_728.5498m/z 728.5497551 12.28 836.9319 694.5475 793.2990 797.6195 767.2724 741.1958 12.30_288.2888m/z 288.2888113 12.30 241.5057 474.2213 280.3976 317.8559 268.3823 312.7542 12.30_299.2359m/z 299.2358595 12.30 263.0689 318.3161 315.1063 267.4939 299.7152 252.1080 12.30_401.3037m/z 401.3036764 12.30 446.9328 563.2780 543.5410 527.3529 483.9621 482.5121 C26H42O4 Diisononyl phthalate 35459 MEDIUM 12.30_533.2708m/z 533.2708441 12.30 5000.5121 5331.2740 5313.6148 5212.3289 5269.2650 5126.0041 C29H42O10 Convallatoxin CHEBI:27663 MEDIUM 12.30_653.3374m/z 653.3373756 12.30 5813.1372 5915.9359 5953.9967 6025.8542 6020.8299 5951.4376 12.30_98.9870m/z 98.98696874 12.30 286.8998 249.8069 266.6629 319.0709 333.8250 344.4176 12.33_270.9160m/z 270.9159735 12.33 695.7732 451.0110 629.9634 575.9071 570.0236 575.1488 12.33_333.6609m/z 333.660919 12.33 161.5934 223.6392 215.0972 212.5820 163.4843 183.8426 12.33_397.7827m/z 397.7827167 12.33 926.9385 788.5681 931.1018 949.7956 856.7796 918.0956 12.33_650.3408m/z 650.3408185 12.33 5937.9139 5987.7384 5993.3110 6226.5759 6136.7238 6154.9888 12.33_772.5764m/z 772.5764103 12.33 763.6607 662.8094 657.1806 671.2246 709.8648 756.5635 12.34_158.9297m/z 158.9297123 12.34 429.0611 361.3425 450.6379 424.3585 392.6371 487.7281 12.34_188.9240m/z 188.9239971 12.34 388.5557 264.7387 358.0515 292.1753 305.3186 282.5978 12.34_208.9786m/z 208.9786067 12.34 768.5093 544.2760 632.7330 585.2793 651.8357 587.3903 12.34_245.1514m/z 245.1513514 12.34 182.6273 124.6906 221.9234 135.2452 212.1328 203.9898 12.35_222.9225m/z 222.9224826 12.35 968.7872 719.7713 896.5775 969.2146 919.5435 834.5640 12.35_230.8526m/z 230.8526379 12.35 306.9457 245.5996 281.8842 274.1922 281.2057 281.7717 12.36_178.9603m/z 178.9602608 12.36 428.0843 313.8066 402.9253 353.1487 384.7895 374.2521 12.36_279.8638m/z 279.8637776 12.36 1261.9331 866.1252 1006.3725 972.1281 1053.6063 1021.5793 12.36_563.2870m/z 563.2869781 12.36 4717.3333 4488.7261 4872.7407 4454.3459 4857.0982 4529.4769 12.37_419.7956m/z 419.7956283 12.37 1057.0365 868.5081 963.4015 1052.2152 939.6629 1043.4968 12.37_816.6015m/z 816.6014555 12.37 616.4012 535.6006 498.5725 581.8780 525.2758 504.0738 12.37_83.0223m/z 83.02231096 12.37 301.3833 228.3268 273.6399 263.2134 294.2205 284.6309 12.38_221.1512m/z 221.151229 12.38 1743.2546 1489.7070 1624.0446 1778.3558 1603.6677 1679.7862 12.39_279.1003m/z 279.100326 12.39 1749.0614 1643.0211 1770.1930 1738.3906 1697.3859 1700.9485 12.39_318.8686m/z 318.8685977 12.39 578.0741 412.3706 534.9934 489.2127 547.5984 490.5714 12.39_427.2625m/z 427.2625238 12.39 8015.5647 7164.7572 7768.2360 7779.9435 7532.4770 7605.8744 12.40_163.9773m/z 163.9772661 12.40 151.2077 123.9184 136.9751 136.4084 119.9447 129.4052 12.40_237.1469m/z 237.1469453 12.40 2739.9462 2685.2850 2776.1499 2809.6775 2798.3558 2851.5843 C14H20O3 Heptyl 4-hydroxybenzoate 17879 MEDIUM 12.40_275.8461m/z 275.8460881 12.40 103.0730 66.4903 93.7737 83.5330 94.7517 63.1263 12.40_336.1894n 359.1820142 12.40 13484.6939 13987.4385 13649.0061 13750.5179 13500.7048 13618.9235 12.40_375.1497m/z 375.149694 12.40 882.8562 928.8607 875.9043 936.6655 921.4286 879.8890 12.41_203.1789m/z 203.1789098 12.41 158.4654 227.6899 218.7848 190.2660 215.8841 188.6512 12.41_441.8087m/z 441.8086965 12.41 1153.5341 958.1537 1085.0442 1131.7365 1089.2526 1086.8236 12.41_70.9809m/z 70.98087223 12.41 135.4804 100.6127 116.2030 127.8602 124.6289 97.4519 12.41_860.6281m/z 860.6280929 12.41 424.8904 368.5420 400.2245 342.8384 344.5387 358.3133 12.42_139.9248m/z 139.9247811 12.42 304.9813 246.7687 298.5712 247.7023 207.5325 270.5850 12.42_251.1991m/z 251.1991394 12.42 100.1006 86.3530 82.7035 111.2003 34.0276 63.8127 12.42_561.3085m/z 561.308534 12.42 3518.8974 3467.6309 3466.9301 3539.9074 3428.0346 3361.4893 12.44_163.1481m/z 163.1481466 12.44 160.2284 167.2900 230.9389 229.5541 174.4707 120.6881 12.44_683.1153m/z 683.1153007 12.44 414.4428 489.5875 429.9560 464.2375 504.8590 482.2495 12.44_690.1543n 708.1257233 12.44 3649.2088 3267.5509 3700.3788 3483.8803 3504.8990 3792.4145 12.44_807.8133n 790.8099937 12.44 439.2957 884.1640 739.1509 573.5151 758.5438 696.8545 12.45_105.0702m/z 105.0701971 12.45 168.2589 230.8560 205.2497 190.2415 207.8412 231.8815 C8H10O "3,4-Dimethylphenol" 39839 MEDIUM 12.45_123.1165m/z 123.1164734 12.45 131.8688 117.2310 131.8828 116.2522 116.0390 105.0068 C9H16O 2-Nonenal MEDIUM 12.45_146.1044m/z 146.1043689 12.45 113.0833 157.9686 131.9477 116.7875 117.5096 120.4014 12.45_147.1171m/z 147.1170928 12.45 837.7885 847.3102 868.1813 855.7695 855.0610 813.0552 12.45_149.1329m/z 149.1329243 12.45 134.0662 130.7294 91.2045 131.3325 167.4214 95.3592 12.45_150.1411n 173.1324856 12.45 685.7606 768.9523 714.4174 666.0924 727.1799 663.2883 12.45_199.1477m/z 199.1477234 12.45 1637.0641 1714.2093 1788.9580 1671.7615 1727.4365 1683.4576 12.45_201.1636m/z 201.1636003 12.45 186.1181 235.1915 218.0590 203.7592 239.3495 236.0482 12.45_215.1792m/z 215.179162 12.45 445.6134 511.6752 523.0151 457.0699 494.1902 468.6767 12.45_272.2141n 255.2107887 12.45 30947.0810 35798.1038 34258.7328 33309.2090 33597.5331 33653.9171 12.45_291.2310m/z 291.2310439 12.45 1173.0311 1295.9593 1236.3110 1203.4886 1255.0963 1154.6429 C19H30O2 Etiocholanolone Etiocholanolone HMDB00490 HIGH 12.45_431.2423m/z 431.2423054 12.45 25118.4295 28492.4659 27463.2925 27290.7701 27302.2652 27072.8715 12.45_466.2549n 489.2455522 12.45 103974.7844 114375.2867 112006.7189 111132.3788 111995.8971 111679.4242 12.45_485.7299n 508.7204312 12.45 221.6596 341.0636 287.3041 248.0530 294.2990 265.2457 12.45_497.2370m/z 497.2370128 12.45 3670.1460 3491.5156 3638.8085 3627.1138 3579.1596 3577.1077 12.45_497.7289m/z 497.7288832 12.45 322.5393 401.5164 417.1278 378.5252 411.4416 401.6102 12.45_505.7123m/z 505.7122662 12.45 137.7241 146.2169 145.4981 163.8712 125.7179 155.5080 12.45_510.2312n 511.2353454 12.45 27060.4553 27857.6380 27500.3865 28040.8950 27422.5694 27716.0530 12.45_520.1783m/z 520.1783188 12.45 2449.5763 2630.4148 2644.6344 2560.4647 2524.0958 2559.9568 12.45_520.2580n 521.2652985 12.45 10203.0497 9752.3781 9949.5999 9900.5152 9969.5115 9824.3817 12.45_522.2168n 505.2135158 12.45 9175.1137 9133.6476 9854.2627 9078.7217 9594.0389 9300.1228 12.45_527.2878m/z 527.2877662 12.45 3345.0437 3504.9452 3530.0402 3682.0920 3566.1052 3710.7989 12.45_531.1856m/z 531.1855972 12.45 3014.1914 3109.6334 3201.6960 3121.6008 3218.3012 3128.0216 12.45_545.2027n 563.214661 12.45 6320.1680 6292.6683 6592.3006 6227.7018 6506.1690 6422.1562 12.45_552.2513n 535.24801 12.45 20288.9022 20626.6425 20977.3785 20737.4361 20687.1713 20548.2440 12.45_554.2423n 537.2390412 12.45 23153.9807 22714.0323 23870.9708 23307.7635 23341.1027 23217.7700 12.45_565.2320m/z 565.2319545 12.45 9318.2053 9154.7298 9668.2955 9265.8266 9608.4626 9677.0665 12.45_568.2202n 551.2169082 12.45 44983.4267 45748.7637 47117.6982 46283.8421 46497.8667 46036.5591 12.45_578.2079n 561.2046282 12.45 7895.6231 7867.0414 8381.5357 7960.5270 8355.4746 8030.6066 12.45_635.1679m/z 635.1678911 12.45 1086.1779 1060.5189 1084.2367 1100.1901 1104.8063 1103.2664 12.45_641.1876m/z 641.1876452 12.45 1729.2832 1635.1657 1713.7250 1675.1812 1691.6019 1699.7133 12.45_650.1347m/z 650.1346682 12.45 3047.2687 2896.2043 3087.3921 3033.5431 2780.0930 3122.6841 12.45_662.1302n 663.1374743 12.45 1842.0194 1591.4519 2048.6034 1736.9978 1865.4058 1886.8053 12.45_676.1429n 699.2950485 12.45 4998.5272 4970.7551 5337.1453 5187.8851 5245.7547 5195.9451 12.45_677.1583n 695.1667599 12.45 2792.0984 2733.7364 2903.0732 2908.1694 2714.4415 2856.5133 12.45_706.1370m/z 706.1370132 12.45 609.5937 571.9789 580.7217 567.2307 426.6742 596.2921 12.45_715.3210n 733.3548735 12.45 2935.7581 3417.6285 3312.0152 3280.0593 3276.2263 3341.8750 12.45_718.3560n 741.3453589 12.45 3323.9611 3881.2470 3792.1643 3512.3635 3750.9904 3762.1408 12.45_718.8596n 719.8669258 12.45 693.1235 1142.8897 872.7815 929.7261 930.8758 911.9953 12.45_722.3696m/z 722.3695773 12.45 1950.9025 2391.1733 2060.6968 2031.6666 2200.5733 2143.9955 12.45_722.8742m/z 722.874157 12.45 636.0482 1019.3631 806.4072 793.7945 798.0716 836.4853 12.45_733.8639m/z 733.8638893 12.45 228.9251 374.8893 316.6188 256.9787 332.6865 268.1235 12.45_737.8322n 760.8220308 12.45 675.1682 1437.0466 1019.7418 1036.8509 1102.0334 1048.1772 12.45_743.8939n 744.8478048 12.45 375.5448 754.1092 637.1785 599.6623 603.5922 574.0480 12.45_745.3201n 728.3168292 12.45 2355.1879 2729.2861 2640.8022 2609.4679 2427.4201 2678.9301 12.45_746.3278n 747.3350383 12.45 2370.9695 2948.5035 2631.6369 2586.9367 2709.2438 2585.0793 12.45_747.8598n 748.8282806 12.45 1900.3398 3170.7486 2477.0916 2406.5384 2693.5391 2574.6446 12.45_756.4794n 779.3385571 12.45 1399.1697 1829.9351 1433.9320 1454.9330 1392.6006 1509.9514 12.45_765.3601n 749.3375666 12.45 2110.9312 2514.6281 2502.3428 2138.1520 2354.1965 2296.4533 12.45_774.3172m/z 774.3172159 12.45 204.0517 350.7984 241.8279 287.8132 234.0987 247.6218 12.45_775.3446n 759.3220446 12.45 2983.7052 4000.5165 3418.8579 3319.3643 3637.1782 3354.2553 12.45_786.3233n 769.319978 12.45 1869.2128 2329.4518 2149.6699 2053.9073 2116.6825 2080.5515 12.45_790.3162m/z 790.3162307 12.45 88.3924 260.0473 227.6468 199.8248 163.6799 208.9801 12.45_791.3275m/z 791.3275415 12.45 378.5894 446.6934 399.3676 385.4562 359.4323 393.1242 12.45_802.3049m/z 802.3048684 12.45 131.1114 226.3910 176.1097 210.4592 186.7959 142.5547 12.45_81.0706m/z 81.07056963 12.45 139.2396 169.4813 167.7658 121.0926 148.6665 152.8499 C6H10O 2-Hexenal MEDIUM 12.45_816.3253n 817.3154646 12.45 1167.1579 1629.4351 1323.0800 1297.4312 1540.7799 1353.1687 12.45_822.3239n 840.2966044 12.45 877.9933 1114.9495 922.3174 798.5473 1003.4095 836.4982 12.45_842.3192n 843.3183376 12.45 1234.9617 1668.6793 1454.2488 1426.6946 1382.1485 1417.8922 12.45_847.3455n 831.3229166 12.45 2134.3936 3029.6165 2414.7030 2254.3796 2490.9791 2571.0704 12.45_896.4819n 897.4892008 12.45 348.0964 773.0738 466.9871 503.4868 520.8216 475.2949 12.45_93.0705m/z 93.07051401 12.45 69.8139 49.9523 72.7457 54.5638 70.1201 67.8687 C7H8 Toluene Toluene 17578 MEDIUM 12.45_950.5450m/z 950.5449819 12.45 1224.0198 2007.0201 1600.4058 1557.2150 1519.1454 1552.9890 12.45_955.5004m/z 955.5004371 12.45 14842.5021 22973.3680 18653.7278 18059.3325 18317.3305 18021.1641 12.45_963.4788m/z 963.4787628 12.45 514.3325 1095.5747 870.6954 703.0412 904.8775 864.2485 12.45_970.4594n 971.4666524 12.45 9807.1338 13493.6968 11460.9738 11108.4377 11501.7107 11311.9161 12.45_986.4328m/z 986.4328257 12.45 5206.1394 7132.4935 6247.8760 5969.0361 6050.4645 6044.5729 12.45_994.4855n 995.4341345 12.45 8667.5906 11847.3200 10213.5705 9858.0411 10074.3490 9742.9241 12.46_664.1456n 665.1528601 12.46 1945.3831 1604.5789 1972.5356 1735.2463 1856.7736 1848.8548 12.47_239.1618m/z 239.161754 12.47 6579.6217 5539.5595 5970.2304 6134.8026 6028.3461 6296.5606 C12H24O3 12-Hydroxydodecanoic acid 12-hydroxy lauric acid HMDB02059 MEDIUM 12.47_467.1312m/z 467.1311618 12.47 982.1720 926.2618 971.7614 981.7717 994.3485 1062.2721 12.48_287.1485m/z 287.1485268 12.48 6693.1011 6284.5083 6420.1234 6650.8203 6295.6867 6362.9962 12.48_312.6414m/z 312.641439 12.48 74.0206 71.5396 65.9600 86.8208 75.2263 71.5536 12.48_373.2707m/z 373.2706606 12.48 1756.6354 1780.9125 1782.3484 1685.5220 1670.3605 1670.4685 12.48_607.3070m/z 607.3070173 12.48 9200.8240 9383.9325 9559.9199 9515.1218 9539.6114 9353.0161 12.48_667.3487m/z 667.3487459 12.48 2503.6028 2400.2294 2559.3346 2465.8546 2548.6704 2465.0429 12.49_149.0600m/z 149.0600416 12.49 412.9408 367.6618 376.1353 364.4182 402.1412 350.2398 C9H10O3 Ethylparaben MEDIUM 12.49_337.1055m/z 337.1054724 12.49 6663.6018 5803.7915 6475.3712 6644.0328 6259.2406 6284.2102 C12H21AlO9+3 Aluminium acetoacetate MEDIUM 12.49_485.8350m/z 485.8350312 12.49 1295.8877 1038.0903 1214.6751 1223.4516 1223.9445 1272.5048 12.50_200.0245m/z 200.024501 12.50 225.1648 331.1340 261.8904 289.0793 219.7692 286.0707 12.50_275.8465m/z 275.8464921 12.50 118.4278 70.8942 105.1147 106.6860 81.9381 77.3765 12.50_304.2988m/z 304.2987829 12.50 1408.7819 1278.8202 1374.4676 1373.3443 1329.1779 1305.5194 12.50_308.6610m/z 308.66102 12.50 188.7971 229.1323 189.9609 197.6619 220.8353 247.9648 12.50_317.6661m/z 317.6660891 12.50 171.1519 237.3574 219.0877 241.2774 242.4651 209.3422 12.50_595.3699n 618.359892 12.50 12527.3700 14093.2645 13724.8233 13807.5655 13861.9137 13497.2483 12.50_681.3194m/z 681.3194454 12.50 1125.7784 1185.9254 1235.5130 1170.9727 1200.1917 1157.0061 12.51_357.2759m/z 357.2758678 12.51 2099.4500 1894.0731 2119.2040 1885.3042 2172.5695 1847.2905 12.51_591.3118m/z 591.3118312 12.51 4507.9899 4615.8222 4676.1898 4555.1080 4664.5058 4533.8866 12.52_153.0624m/z 153.0624187 12.52 3313.4004 3067.8351 3252.6443 3253.2569 3179.5021 3227.0875 12.52_185.0971m/z 185.0970861 12.52 5282.5174 6154.3657 5601.4091 5827.5018 5285.7560 5137.8256 12.52_244.1104n 267.1038734 12.52 8150.8278 8392.6799 8414.4928 8450.4940 8122.4664 7820.0393 C15H16O3 Osthole Osthole MEDIUM 12.52_329.0701m/z 329.0701408 12.52 537.3589 639.3193 557.3454 598.2611 550.8547 489.7869 12.52_389.2231m/z 389.2230911 12.52 2776.9438 2810.9749 2885.3113 2871.8164 2854.7835 2859.5884 12.52_507.8481m/z 507.8481098 12.52 1077.4062 975.1111 1025.1488 1107.4350 1005.1227 1130.0730 12.54_318.8689m/z 318.8688592 12.54 458.1918 348.9776 404.0780 393.3915 369.9294 401.3309 12.54_409.1256m/z 409.1256357 12.54 741.1862 605.3365 711.7138 650.0043 675.9455 649.1762 12.55_324.2772n 347.2646712 12.55 826.2267 620.4739 763.6068 647.6080 670.6997 722.3329 12.55_355.2589m/z 355.258921 12.55 3926.1919 4251.8989 4209.5331 4041.4496 4172.4398 4129.5134 12.56_505.3318m/z 505.3318372 12.56 10788.0248 9375.3370 9874.6847 10395.0676 10209.0654 10164.6541 12.56_529.8616m/z 529.8615992 12.56 1115.4246 906.2158 1044.1045 1047.8202 1077.2056 1122.2531 12.57_223.1672m/z 223.1671821 12.57 2957.8789 2651.9589 2794.0513 2978.8512 2756.4720 2867.5189 C12H24O2 Dodecanoic acid Lauric acid 30805 MEDIUM 12.57_239.1618m/z 239.1618443 12.57 8000.8802 6701.3092 7674.1038 7537.0074 7690.7923 7653.9559 C12H24O3 12-Hydroxydodecanoic acid 12-hydroxy lauric acid HMDB02059 MEDIUM 12.59_212.9693m/z 212.9692884 12.59 662.3222 428.3248 554.9243 512.3264 539.4546 574.3550 12.59_424.9429m/z 424.9428701 12.59 322.3396 287.1720 284.9019 285.0961 289.5120 298.3314 12.60_208.9790m/z 208.979014 12.60 1259.6677 932.9212 1047.5460 1099.7409 1144.8955 1074.6680 12.60_299.2347m/z 299.2346514 12.60 1472.6407 1733.6570 1643.3494 1460.0763 1611.4101 1508.0875 C21H32O2 Pregnenolone Pregnenolone HMDB00253 HIGH 12.60_437.2041m/z 437.2041333 12.60 4313.8082 4755.0987 4449.2351 4734.2802 5306.9085 5059.5619 12.60_532.2630n 533.2702562 12.60 24964.1618 27033.4300 26567.0810 26599.5251 26236.8595 26028.3951 12.60_551.8748m/z 551.8748014 12.60 985.1347 777.1577 869.8700 838.9957 872.7270 897.8238 12.60_595.2462m/z 595.2461968 12.60 4424.6226 4791.1447 4714.1539 4686.1226 4713.0762 4631.0965 12.61_201.8901m/z 201.8900729 12.61 1368.0945 947.7966 1088.0474 1115.1291 1198.5050 1002.2712 12.61_564.2261m/z 564.2261465 12.61 1281.8675 1365.7838 1415.9142 1372.8923 1377.0977 1353.9264 12.62_149.1325m/z 149.1325173 12.62 52.7783 86.2067 41.8676 67.9163 70.8563 57.9669 12.62_152.9507m/z 152.9507287 12.62 62.5877 37.4164 61.7755 35.3029 27.0684 33.2190 12.62_282.9165m/z 282.9165283 12.62 890.3891 607.4964 738.9200 751.6170 747.0874 741.4290 12.62_339.2435n 357.185159 12.62 2872.1253 2938.0733 2917.8316 2943.7254 2929.8602 2996.5122 12.63_574.3840m/z 574.3839644 12.63 545.5448 399.1608 515.5462 451.8241 481.9259 458.3728 12.64_573.8873m/z 573.8873179 12.64 652.9229 568.2498 654.4339 654.4987 654.9381 688.4643 12.65_83.0223m/z 83.02233359 12.65 386.4696 279.9937 378.2667 366.0175 382.2354 346.4013 12.66_279.8665m/z 279.8665242 12.66 1278.4315 914.0139 1067.7052 1063.2256 1085.5153 1082.0442 12.66_389.2301m/z 389.2300667 12.66 2652.1675 2584.8545 2703.8454 2694.3341 2636.6348 2585.5574 12.66_667.3488m/z 667.3487774 12.66 5015.4517 5237.9262 5157.9749 5148.2822 5171.2858 5161.2773 12.67_225.1846m/z 225.1845997 12.67 133.5119 114.5948 107.8492 121.5991 126.3490 110.6259 12.67_595.9002m/z 595.9002039 12.67 506.3721 362.2471 452.4159 483.4447 447.1771 530.7755 12.69_443.2234m/z 443.2234318 12.69 25450.5052 24854.2384 24973.9740 25095.8040 24624.4382 24688.9896 12.69_459.1943m/z 459.1942751 12.69 2484.4034 2637.9375 2530.7095 2549.7979 2515.3911 2518.8931 12.69_617.9133m/z 617.9133191 12.69 281.5541 180.4724 236.6681 227.2084 279.9745 263.2277 12.70_303.5925m/z 303.5925087 12.70 86.1352 67.4859 93.6060 97.4597 98.5110 112.5636 12.70_357.2773m/z 357.2773132 12.70 2207.4649 2479.4488 2330.6935 2158.7426 2319.0390 2210.4858 12.70_431.3252n 432.3097015 12.70 8969.3774 10437.1953 9913.1771 9969.8871 9813.3588 9563.8632 12.70_476.2584m/z 476.2583811 12.70 15035.7591 14663.8140 15028.6306 15114.9378 15037.6150 14975.6673 12.70_591.3123m/z 591.3122897 12.70 7953.3130 8460.7248 8299.3099 8460.2385 8221.8894 8293.8606 12.70_607.2974m/z 607.2974024 12.70 7401.2512 7789.9759 7616.4983 7901.1537 7657.4934 7620.0661 12.70_738.2330m/z 738.233002 12.70 410.6178 630.6834 455.4314 508.8351 500.5878 366.2326 12.71_659.1858m/z 659.1857883 12.71 985.8351 1050.5348 1054.8877 1096.0597 1064.8280 1056.5578 12.72_226.6334m/z 226.6333605 12.72 91.5799 106.5272 97.1433 94.5562 88.6344 110.4746 12.72_233.0369m/z 233.0369471 12.72 3437.3138 3705.1234 3446.3705 3446.4854 3453.8112 3442.8815 12.72_242.6227n 243.6301702 12.72 1418.4448 1654.4901 1564.2200 1665.2295 1578.1396 1580.9698 12.72_245.1517m/z 245.1517461 12.72 191.3501 201.6086 204.1486 169.9014 201.2510 231.6196 12.72_254.6317n 277.6152521 12.72 83.4955 103.5636 80.4358 100.8670 89.5330 96.3216 12.72_288.5845m/z 288.5845439 12.72 382.2766 429.9761 417.5705 443.8847 393.9198 401.4308 12.72_309.2571m/z 309.2570927 12.72 643.3188 786.5652 692.5343 693.3190 735.8664 649.2008 12.72_354.2471n 355.2610794 12.72 5437.2611 6014.4970 5479.1338 5760.5036 5569.3093 5621.6266 12.72_639.9279m/z 639.9278612 12.72 183.3830 94.7854 164.0522 150.2113 150.5607 126.7075 12.73_234.6246m/z 234.6246208 12.73 3092.9515 3616.0859 3415.5878 3568.3676 3390.5807 3531.0471 12.73_235.0344m/z 235.034382 12.73 864.7142 1024.3925 946.6941 960.4589 922.8631 925.7736 C10H8N2O6 Orellanine MEDIUM 12.73_276.6010m/z 276.60101 12.73 50.2619 75.3878 41.4893 48.8836 60.7487 61.1531 12.73_284.5773m/z 284.5773033 12.73 52.9875 75.5162 75.4070 53.4914 69.9707 57.2068 12.73_285.6053m/z 285.6053014 12.73 210.3563 240.7724 220.6401 256.9058 221.4928 260.6148 12.73_296.6172n 279.6138775 12.73 214.5867 225.1752 233.4137 231.2197 221.3324 197.5611 12.73_318.0670n 319.0742935 12.73 7051.5934 8043.5084 7578.2239 7629.2244 7328.3183 7637.3031 12.73_320.0659n 321.0731916 12.73 2635.3380 3136.6096 2990.8766 3033.9349 2989.2108 2961.4507 12.73_357.0206m/z 357.0206227 12.73 865.7677 971.7869 907.3618 860.6552 882.8968 930.3841 12.73_358.0118n 359.0190612 12.73 444.6858 463.0036 420.8314 388.8052 392.5900 414.8526 12.73_363.0381m/z 363.0381045 12.73 359.3262 409.5433 370.0770 385.0626 380.9721 351.6848 12.73_373.2706m/z 373.2706118 12.73 3531.4367 3819.9196 3617.6732 3520.7187 3561.1299 3492.5734 C24H38O4 Di(2-ethylhexyl)phthalate Bis(2-ethylhexyl)phthalate 17747 MEDIUM 12.73_447.2992n 448.3064585 12.73 59289.7884 71681.3484 68081.6424 67573.4806 67938.8837 66419.4697 12.73_467.2553m/z 467.2552745 12.73 4329.6781 4641.4941 4455.9385 4520.0230 4439.5143 4398.9987 12.73_467.7814m/z 467.7814478 12.73 346.5594 510.5537 447.6577 383.2022 424.3880 410.5043 12.73_493.2720m/z 493.272043 12.73 5497.8941 5701.4059 5657.9284 5744.9972 5668.3536 5688.1530 12.73_503.2566n 486.2532889 12.73 13814.8167 14044.5473 14428.7780 14016.5398 14571.4891 13969.3353 12.73_517.2479n 518.2763546 12.73 7572.2796 7786.5625 7854.1262 7825.5728 7894.6842 7774.0185 12.73_649.3464m/z 649.3463713 12.73 2446.7127 2686.2399 2585.0694 2649.5835 2543.1887 2660.5821 12.75_163.1486m/z 163.1486377 12.75 90.3117 71.2164 107.9131 127.0524 107.5393 65.0400 12.75_186.1851m/z 186.1851379 12.75 421.3933 257.3135 267.4643 256.4459 244.0654 186.6895 12.76_171.0072m/z 171.0072043 12.76 582.8639 448.5687 590.6494 622.0099 522.5858 626.7390 12.76_197.0844m/z 197.0844456 12.76 4147.9504 3537.5859 3671.9072 3678.4359 3786.3713 3743.0061 C8H14N4OS Metribuzin MEDIUM 12.76_243.0947m/z 243.0947069 12.76 2115.9371 1810.5596 2022.6676 1975.5407 2005.4205 1979.2049 12.77_140.1213n 141.1281626 12.77 254.9785 174.9483 218.5645 177.4160 202.3006 199.9783 C9H16O 2-Nonenal MEDIUM 12.77_212.0526m/z 212.0526285 12.77 86.7765 62.2868 53.9221 41.6912 70.9277 50.7713 12.77_279.2312m/z 279.2312257 12.77 602.9161 652.7474 573.8189 570.2948 583.8673 596.7889 C18H30O2 Alpha-Linolenic Acid Alpha-linolenic acid 27432 MEDIUM 12.77_318.8705m/z 318.8704813 12.77 345.3185 274.6945 311.4879 334.7382 259.7781 353.0083 12.77_513.2667m/z 513.266733 12.77 5916.1348 5789.3719 6389.7305 5428.3239 6466.4000 5759.1852 12.77_529.2352m/z 529.2351536 12.77 4644.0308 5076.6261 4852.8633 4835.0831 4861.6558 4819.0832 12.77_544.2062m/z 544.2061826 12.77 1758.1584 2254.6332 1964.4890 2198.2662 1886.0071 2078.5750 12.78_589.2998m/z 589.2998211 12.78 2311.9277 2380.7444 2362.8127 2340.0834 2432.3146 2405.7767 12.79_197.1526m/z 197.1526095 12.79 47.9033 24.5344 48.3670 61.4378 40.9176 24.0329 12.79_255.1565m/z 255.1565379 12.79 688.7301 567.7975 579.5981 589.4555 557.7879 575.0683 12.79_280.8756m/z 280.8755565 12.79 429.3041 307.6352 372.1239 373.0120 373.4258 414.3701 12.81_283.2400m/z 283.2400042 12.81 138.0412 139.5249 175.2915 120.7415 161.5725 145.1219 12.81_295.2248m/z 295.2247652 12.81 5237.2117 4519.1210 4810.4268 4900.7489 4738.3483 4759.6236 12.81_367.3319m/z 367.3319194 12.81 212.2531 172.0388 204.2413 150.6221 168.3519 154.7312 12.82_143.0579m/z 143.0578936 12.82 85.3787 83.6805 59.1096 133.2852 102.7624 81.7056 12.82_209.1541m/z 209.1540963 12.82 1385.0406 1074.6504 1120.6239 1227.2154 1158.4365 1113.8998 12.82_544.3218m/z 544.3217804 12.82 2558.1826 2887.9703 2809.9875 2662.7948 2721.7895 2654.7374 12.82_579.3658m/z 579.3657643 12.82 5850.9188 5321.1421 5679.7081 5990.7451 5835.9508 5976.1680 12.83_203.1787m/z 203.1786744 12.83 482.6940 708.8165 509.2771 565.3838 518.7408 603.0296 12.84_163.1490m/z 163.1490298 12.84 126.4377 42.8335 119.8961 109.2038 41.7074 63.2020 12.84_209.1176m/z 209.1175551 12.84 8819.8118 10166.6819 9203.8393 9598.5082 9078.0680 9687.8485 12.84_240.1359n 223.132572 12.84 4413.7340 4628.1061 4455.2295 4468.1170 4280.3737 4526.0245 12.84_251.1274m/z 251.1273964 12.84 4234.1616 4427.7545 4271.3392 4533.6774 4333.7299 4489.9734 C14H18O4 Ubiquinone-1 Ubiquinone-1 HMDB02012 HIGH 12.84_291.1208m/z 291.1207678 12.84 12314.1696 14491.1597 13260.7945 13600.6799 13090.8886 13860.7707 C16H20O6 Mono-2-(carboxymethyl) hexyl phthalate 82975-93-7 HIGH 12.84_302.3054m/z 302.3054169 12.84 1655.2230 1386.5859 1522.4186 1629.5312 1515.5549 1519.2908 C18H39NO2 Sphinganine Sphinganine HMDB00269 MEDIUM 12.84_324.0892n 307.0859091 12.84 4774.9217 4852.6009 4848.6461 4752.7261 4647.0682 4835.3017 12.84_330.1045n 353.0916055 12.84 1072.2520 1249.2414 1167.9837 1124.9337 1113.0793 1194.1747 12.84_376.0496n 377.0584579 12.84 552.0949 671.3458 654.9120 571.9121 606.6984 644.4684 12.85_199.1942n 200.2014379 12.85 47631.5118 40723.2739 44144.6772 44379.8364 43440.5178 45125.5805 12.86_219.1721m/z 219.1721106 12.86 406.3011 415.2298 344.1076 337.8998 320.3212 345.7688 12.86_252.9120m/z 252.9120185 12.86 169.8699 176.7228 185.8490 234.5813 191.3197 252.2767 12.88_316.2397n 299.236365 12.88 3580.4009 4214.8554 3748.5103 3805.8115 3942.8355 3793.3213 C21H32O2 Pregnenolone Pregnenolone HMDB00253 HIGH 12.88_532.2655n 533.2728237 12.88 16097.0858 18015.7404 16916.0563 17244.5186 16962.4698 17274.7908 C29H40O9 Roridin A MEDIUM 12.88_549.2462m/z 549.2462129 12.88 2437.3038 2608.6580 2563.3273 2539.8487 2546.9581 2626.5538 12.88_581.2134n 565.2848137 12.88 3749.0236 3967.5279 3829.1041 3865.0877 3712.8022 3949.6321 12.88_581.2793m/z 581.2793034 12.88 5214.3819 5458.3670 5362.9507 5388.7947 5210.5761 5364.0226 12.88_595.2488m/z 595.2487611 12.88 4119.0561 4260.1664 4177.8517 4117.9969 4073.6136 4189.3136 12.88_703.1743m/z 703.1742514 12.88 1343.8836 1595.1090 1477.6260 1426.2739 1462.4154 1543.8228 12.89_189.1634m/z 189.1634095 12.89 64.8002 110.5760 108.5805 57.9288 48.3922 63.4615 C14H22O 4-tert-octylphenol 140-66-9 HIGH 12.89_729.2542m/z 729.2542168 12.89 365.2530 450.0276 389.3142 374.6582 374.2453 357.6729 12.90_249.1822m/z 249.1821836 12.90 6766.8147 6193.3748 6584.2029 6458.4818 6339.2327 6423.3976 12.90_431.3247n 454.2902204 12.90 8023.4144 9108.6939 8461.2889 8543.8777 8382.5874 8635.6297 12.90_567.2204n 568.2276423 12.90 10088.1008 10881.2070 10558.3833 10603.0676 10474.4337 10449.9608 12.90_591.2506n 574.2473196 12.90 10701.6040 11619.3727 11347.5732 11351.1250 11224.9639 11295.1306 12.91_303.5890m/z 303.5889605 12.91 96.5819 143.7633 120.7890 156.1802 111.8469 154.1514 12.91_504.2638m/z 504.263786 12.91 3396.8874 3542.9003 3425.0203 3570.5466 3473.3779 3498.6123 12.91_648.3336m/z 648.3336129 12.91 1339.2931 1547.5495 1488.8365 1454.1784 1414.6215 1421.0469 12.91_675.2142n 658.2108986 12.91 2026.6554 2295.6125 2164.9610 2195.2157 2141.2645 2188.7722 12.93_119.0210m/z 119.0210172 12.93 69.4778 65.1645 61.8620 63.5616 34.8984 58.4176 12.93_152.9509m/z 152.9509426 12.93 38.5039 17.2422 12.0845 29.6489 23.4559 14.3346 12.93_341.2468m/z 341.2467627 12.93 2590.6297 2958.8184 2705.9254 2694.4583 2721.7610 2737.8889 C21H34O2 Allopregnanolone 3beta-hydroxy-5alpha-pregnan-20-one HMDB01449 HIGH 12.93_417.2588m/z 417.2587556 12.93 4270.5130 4819.7612 4446.4692 4663.1956 4460.0476 4613.3629 C21H32N6O3 Alfentanil Alfentanil 2569 MEDIUM 12.94_245.1525m/z 245.1524876 12.94 288.3641 280.4889 230.8595 313.8884 221.1236 270.6938 12.94_83.0223m/z 83.02229638 12.94 424.8929 331.0209 413.4931 408.0606 441.4290 426.8885 12.96_315.1556m/z 315.1555916 12.96 3414.2757 2989.8183 3004.2662 3184.7914 2932.4687 2984.2143 12.96_591.3139m/z 591.3139175 12.96 9297.2219 9750.6876 9494.6198 9881.4890 9320.1312 9639.0646 12.97_258.2787m/z 258.2786925 12.97 282.3009 225.0507 272.0139 241.4151 267.4132 260.7843 12.97_317.1721m/z 317.1720868 12.97 6265.2071 5579.6264 5940.0661 6354.6654 5719.0577 6165.6690 C17H26O4 6-Gingerol MEDIUM 12.97_720.1482m/z 720.1482407 12.97 615.5519 673.6488 621.8596 619.9031 683.6660 572.6635 12.97_731.1631m/z 731.1631037 12.97 1279.4516 1615.0918 1467.6253 1349.4731 1329.8840 1319.9641 12.97_756.3437n 757.3824395 12.97 3186.5716 4456.5597 3804.4520 3829.1656 3738.7228 3497.8378 12.98_105.0704m/z 105.0704325 12.98 122.3838 129.6763 131.7233 138.7804 116.5779 96.8155 C8H10O "3,4-Dimethylphenol" 39839 MEDIUM 12.98_147.1165m/z 147.1164822 12.98 616.5373 549.8603 601.9746 595.3536 523.0253 477.9561 12.98_162.1357m/z 162.1356693 12.98 385.9933 433.9644 368.0423 478.3584 378.0130 412.3730 C7H17N2O2+ Bethanechol 3084 MEDIUM 12.98_191.1704n 175.1478684 12.98 624.1756 588.9372 576.6583 577.9945 580.9840 588.6388 12.98_201.1603m/z 201.1603279 12.98 196.1941 227.6980 218.9177 191.0533 207.0158 188.9795 12.98_216.0606m/z 216.0605931 12.98 692.6230 851.7303 804.8023 833.3696 803.7418 880.9121 12.98_217.0317n 218.0773954 12.98 1293.1895 1261.1687 1283.5579 1334.4045 1282.8092 1314.8305 12.98_229.1195m/z 229.1195438 12.98 4707.7547 4848.9254 4780.5603 4932.7023 4857.1294 4785.0075 C13H18O2 Ibuprofen Ibuprofen 5855 MEDIUM 12.98_257.2264m/z 257.2264436 12.98 5359.7246 6404.7215 6011.8383 5910.3775 5993.2523 5893.7338 12.98_275.1140m/z 275.1139589 12.98 2407.0832 2289.2596 2323.9434 2318.2958 2323.2197 2291.0359 12.98_277.1045m/z 277.1045431 12.98 2592.1157 2491.3427 2623.2065 2569.1884 2601.9316 2651.8623 12.98_283.1267m/z 283.1266761 12.98 8167.2907 7711.5092 7842.1721 8079.4797 8297.8855 7834.1713 C18H21NO3 Codeine Codeine 16714 MEDIUM 12.98_291.0915m/z 291.0915275 12.98 9487.7220 10188.9841 10139.3329 9999.9450 10177.3135 9842.7442 C13H16N4O3S Mecarbinzid 82083 MEDIUM 12.98_294.0411n 317.0543273 12.98 1117.1019 1135.2521 1123.1388 1115.7156 1109.5298 1048.3071 12.98_300.2444n 283.2411554 12.98 1923.2977 2389.0899 2115.0612 2177.3558 2088.5574 2166.5195 12.98_307.0529m/z 307.0528559 12.98 1294.6784 1012.5318 1131.0794 1141.2534 1152.0405 1192.5000 12.98_315.0571m/z 315.0570978 12.98 1077.9696 1113.0978 1094.4470 1088.5028 1131.7345 1021.6238 C11H11F3N2O4 2-hydroxyflutamide MEDIUM 12.98_318.0808n 319.0542803 12.98 919.7328 1010.2711 960.1475 899.7627 994.0655 818.3445 12.98_345.2053m/z 345.2052625 12.98 2383.8038 2488.1510 2392.1999 2395.3313 2352.9797 2402.5513 12.98_451.2262m/z 451.2261774 12.98 2859.2367 3071.0668 2985.5953 2926.1880 2983.7550 2821.6437 12.98_477.2783m/z 477.2783377 12.98 2430.9956 2453.4052 2434.6709 2416.2100 2375.9146 2413.4849 12.98_535.2866m/z 535.2865841 12.98 35696.9498 40594.2191 38610.8203 39156.7886 38370.9001 38646.9315 12.98_551.2457m/z 551.2457179 12.98 10546.1717 11168.1276 10984.3142 11055.2105 10719.7280 10929.1814 12.98_556.2733n 557.2722028 12.98 11039.1355 11568.0510 11444.5816 11474.1478 11171.9015 11428.8553 12.98_567.2927m/z 567.292723 12.98 3422.3610 3354.2798 3406.3905 3295.5343 3409.8444 3369.8080 12.98_582.2439n 583.279445 12.98 5749.2527 5989.8009 6043.9740 5919.1927 5944.1814 5821.4680 12.98_593.2446n 611.2941986 12.98 5768.9250 5995.9881 6057.1681 6055.2763 6003.5758 6136.7050 12.98_597.2596m/z 597.2596273 12.98 9460.3459 10219.0088 9927.2064 9904.0585 9640.8804 9886.0279 12.98_701.2684m/z 701.268386 12.98 1406.8351 1503.4744 1504.0307 1459.5841 1486.1945 1455.6441 12.98_705.1881m/z 705.1880801 12.98 1321.9953 1537.2450 1407.0203 1420.8683 1477.4176 1390.2153 12.98_728.2436m/z 728.2435707 12.98 631.4176 951.3449 769.5464 781.3598 759.2848 746.7733 12.98_757.4184n 741.3957981 12.98 1479.8811 1861.2962 1657.3550 1648.7138 1595.4833 1567.1443 12.98_760.3450n 783.3480664 12.98 609.6592 906.7516 640.3513 759.5317 648.8916 684.0821 12.98_781.3503m/z 781.3502705 12.98 526.3547 796.5460 644.7755 633.6358 651.5027 578.3816 12.99_240.2318m/z 240.2318087 12.99 849.6372 902.8264 930.2075 848.5965 911.4711 843.5338 C15H26O Nerolidol 7524 MEDIUM 12.99_342.2875n 365.2754931 12.99 763.8621 842.7029 870.0661 784.2384 889.3301 714.8785 12.99_723.3842m/z 723.3842308 12.99 886.2340 909.4165 895.8080 949.2406 894.1287 906.9742 13.00_827.3765m/z 827.3765324 13.00 305.2049 555.8962 380.2597 383.0032 391.7592 338.8975 13.02_257.1064m/z 257.1064496 13.02 5186.4956 4440.0314 4818.9554 4945.4808 4786.1931 4820.0205 13.03_245.1548m/z 245.1548248 13.03 235.6445 242.3105 275.2230 188.4343 261.5307 264.9255 13.03_347.1261m/z 347.1261098 13.03 7074.7451 7188.1350 7131.7945 7463.1013 7154.8999 6942.2817 13.03_357.1921m/z 357.1920557 13.03 3722.5982 3952.2553 3857.0119 3932.8152 3709.1671 3896.0510 13.03_85.1019m/z 85.10188866 13.03 86.3259 75.2872 93.5827 80.8641 102.2165 81.5256 C6H14O 1-Hexanol 113441 MEDIUM 13.04_137.0278m/z 137.0278309 13.04 139.1817 125.8226 129.4356 128.6660 146.6040 147.9311 13.04_233.1899m/z 233.1898966 13.04 592.5045 485.5820 458.3662 536.4613 470.6122 529.3848 13.04_249.1823m/z 249.1822595 13.04 4959.6079 4269.8480 4556.2864 4524.1698 4469.1037 4406.9198 13.04_283.1867m/z 283.1866939 13.04 9827.5182 8798.8981 8923.5256 9075.5762 9795.7188 8631.5778 13.04_298.3468m/z 298.346805 13.04 366.4890 336.8303 378.3757 318.9277 366.2931 350.1300 13.05_214.2532m/z 214.2532393 13.05 434.2902 376.2721 415.5395 445.4992 388.4378 379.4127 13.05_318.8696m/z 318.8695961 13.05 784.9119 713.8894 831.7567 844.6831 758.4599 832.2409 13.05_529.2367m/z 529.2367019 13.05 3044.8129 3298.7469 3215.3894 3188.1267 3158.7126 3199.8311 13.05_530.2677n 513.2643852 13.05 6542.1852 7131.4406 7050.5688 6880.6528 6823.7944 6920.1642 13.07_161.0966m/z 161.0966204 13.07 1449.2679 1179.7109 1264.9293 1392.0055 1192.5171 1147.0803 C11H14O2 Methyleugenol Methyleugenol 4918 MEDIUM 13.07_221.1170m/z 221.116958 13.07 5745.9297 4770.8471 5267.0535 5532.7839 4933.8822 5155.0097 13.07_241.1769m/z 241.1768561 13.07 1630.9641 1430.9092 1386.5776 1297.8938 1474.6897 1600.6339 13.07_276.1636n 299.1620161 13.07 30514.2503 24560.4778 27230.4282 29343.3860 25741.1366 26111.1769 13.07_625.3452n 626.3524451 13.07 6500.4018 7413.1534 7126.5663 6949.3954 6994.9778 6815.6395 13.07_664.3009m/z 664.3009407 13.07 2240.4091 2541.3651 2491.0429 2409.1374 2402.0687 2389.8788 13.09_100.1128m/z 100.112753 13.09 101.4133 84.4532 94.1535 87.9078 86.2792 86.0609 13.09_316.3206m/z 316.3205665 13.09 294.0573 231.8633 258.4279 246.4887 284.2969 230.3053 13.11_258.2790m/z 258.27896 13.11 382.7269 312.9817 370.0674 319.0401 356.3137 367.0561 13.11_367.2391m/z 367.2390746 13.11 5889.4852 5317.9373 5769.0672 5674.8793 5576.4906 5782.9552 13.11_607.3089m/z 607.3089163 13.11 3198.6710 3270.9980 3280.6393 3279.2465 3190.1490 3297.7734 13.12_327.6653m/z 327.6652737 13.12 84.0545 126.5045 93.9593 117.4492 113.5201 119.2037 13.12_366.2917n 367.2988919 13.12 614.7837 767.1377 649.9078 670.2543 678.4366 678.0992 13.12_402.3128n 385.3095348 13.12 4424.8833 5567.6478 4948.9185 5096.6889 4764.8219 4821.4645 13.12_578.3395n 561.3361733 13.12 6406.7175 6872.7768 6585.5247 6756.6875 6397.7081 6615.3328 13.12_614.3567n 637.3542064 13.12 21519.5922 24956.6407 23598.5946 24137.8670 23137.3414 23656.8844 13.12_626.8484m/z 626.8484188 13.12 342.9920 275.2130 256.1835 290.0469 294.5025 275.5753 13.12_668.2883m/z 668.2883471 13.12 3075.2405 3550.0509 3332.7944 3371.3391 3233.7065 3300.4536 13.12_670.3246n 653.3212897 13.12 17119.6408 19342.6913 18433.7661 18849.4298 17966.2231 18476.3879 13.12_676.3405n 659.3371676 13.12 8351.5726 9519.5249 9049.8061 9135.1580 8707.5205 9056.3088 13.12_679.2845m/z 679.2845192 13.12 2643.0937 2958.7442 2835.0923 2912.6643 2722.6069 2874.7931 13.12_681.2947m/z 681.2947123 13.12 2858.7973 3259.5367 3044.1656 3104.8307 2920.8369 2988.2179 13.12_760.2999n 743.296638 13.12 695.8652 753.2860 629.7108 666.6898 624.9676 613.1512 13.12_773.2849m/z 773.2849495 13.12 159.8860 202.2896 205.6606 226.6312 180.9241 215.0545 13.12_792.2418n 776.2192145 13.12 561.7132 752.9896 673.5862 532.1235 630.5219 575.1965 13.13_428.8897m/z 428.8896579 13.13 1191.6018 960.4795 1013.3189 1078.8725 1053.4661 1008.9104 13.13_433.8742n 456.8641964 13.13 4301.8009 3346.3705 3648.5250 3723.7821 3618.4321 3632.3335 13.13_449.8883n 450.8728881 13.13 6860.7765 5499.6168 5870.5596 6094.4954 5776.6393 5810.1880 13.13_454.8676m/z 454.8675977 13.13 7726.3999 6081.5807 6670.9366 6832.2707 6462.4988 6633.7523 13.13_458.8611m/z 458.8611009 13.13 762.5926 648.2934 662.2369 672.5996 637.1549 665.4075 13.13_540.8050m/z 540.805007 13.13 289.1468 203.4525 252.1452 246.9850 247.1245 257.5565 13.13_753.3623m/z 753.3623484 13.13 735.7005 926.9447 789.4967 761.0568 680.8228 767.7880 13.14_225.1831m/z 225.1831307 13.14 719.3139 568.6017 639.0683 683.6206 629.9598 623.7719 13.14_318.9209m/z 318.9209235 13.14 677.8728 470.4857 544.2946 580.2261 560.8481 623.6188 13.14_358.8689m/z 358.8688984 13.14 389.6842 250.0568 339.6427 269.0557 217.0705 217.2005 13.14_460.8573m/z 460.8573247 13.14 201.1768 133.9306 164.7997 117.3307 151.1120 116.0802 13.14_530.7987m/z 530.7986632 13.14 195.2067 154.1162 174.7693 187.9518 104.9981 183.8661 13.14_531.8442n 514.8409163 13.14 642.9983 470.1293 558.9148 514.9810 467.4601 482.1630 13.14_561.8296m/z 561.8296489 13.14 107.7563 66.8612 101.4437 82.8897 114.8689 78.1471 13.16_411.7990m/z 411.79903 13.16 359.5309 262.7115 284.7242 317.1718 286.4341 348.1844 13.17_285.2571m/z 285.2571331 13.17 96.2152 175.3462 112.9906 136.8164 103.2569 98.3335 13.17_357.2775m/z 357.2775053 13.17 1213.4037 1464.8302 1302.9362 1314.8423 1362.5184 1383.3681 13.17_399.3239m/z 399.3239367 13.17 173.3512 357.9633 216.3454 280.6895 236.7331 232.3164 13.17_511.2178m/z 511.2177996 13.17 3666.4408 3754.1689 3716.0445 3693.8694 3673.2858 3683.0618 13.18_563.3739m/z 563.3739208 13.18 7876.4453 6842.5164 7416.8230 7909.1523 7569.0592 7890.6954 13.18_628.3718n 651.3635987 13.18 3876.1201 4327.2217 4122.5556 4123.7825 3952.7149 4107.7001 13.18_699.3296m/z 699.3296339 13.18 1352.5286 1429.4922 1449.2942 1428.4514 1282.0414 1408.1297 13.19_245.1543m/z 245.1542815 13.19 116.8358 178.2363 134.7489 144.7261 73.9718 95.8956 13.20_406.8480m/z 406.8480268 13.20 421.7891 296.4252 371.0991 320.4041 291.1998 320.1584 13.22_346.1953m/z 346.1953391 13.22 4110.1206 3747.8044 3879.1216 4014.5713 3754.0083 3795.7979 13.24_173.1325m/z 173.1325265 13.24 51.3626 61.0083 80.9989 50.4057 43.7156 50.5724 13.24_255.2094m/z 255.2093874 13.24 1055.8821 1164.6014 1090.3252 1120.1420 1060.2820 1078.3250 13.24_319.2251m/z 319.2251465 13.24 8855.1683 9483.9437 9009.2654 9283.8268 8948.5742 9075.8323 13.24_512.2831m/z 512.2830965 13.24 3848.9326 4140.5359 3947.0313 4004.3609 3823.2287 3898.9148 13.24_516.2371n 517.2443817 13.24 24569.1933 27843.2280 26174.6955 26551.2366 26189.8619 26186.5340 13.24_533.2119m/z 533.2118577 13.24 3487.0418 3637.4943 3509.8521 3567.7125 3531.7045 3503.2357 13.24_548.1740m/z 548.1739523 13.24 1717.9624 1891.0199 1819.3850 1799.5107 1835.9297 1825.2738 13.24_557.1737m/z 557.1737063 13.24 1450.5639 1702.4469 1615.1968 1559.0812 1643.6544 1572.8811 13.24_559.1745m/z 559.1744593 13.24 1381.9884 1460.8692 1398.7279 1456.8106 1274.2183 1365.6596 13.24_563.2395m/z 563.2395204 13.24 3931.3917 4065.0171 4550.8830 4377.9637 4486.8416 4370.3013 13.24_578.1793n 579.2140614 13.24 8336.1048 9313.2765 8847.5115 9101.8928 8756.7469 8889.4568 13.24_710.1608m/z 710.1608497 13.24 610.6128 848.3598 580.8390 666.1602 608.5326 734.9840 13.24_736.1639n 719.1605939 13.24 1363.5572 1810.6274 1687.6990 1660.8657 1599.1091 1667.1141 13.25_258.2788m/z 258.2787696 13.25 152.2276 130.8310 142.0795 150.1837 140.6186 128.9302 13.26_162.9251m/z 162.9250829 13.26 205.8656 189.3040 263.1686 296.9259 311.9225 338.5769 13.29_326.0708n 349.0602125 13.29 58425.7730 50184.8159 54660.5382 56347.9711 54147.7228 54476.6491 C18H15O4P triphenyl phosphate 115-86-6 HIGH 13.29_411.0300m/z 411.0300046 13.29 1094.4941 880.1891 1057.2397 1147.8876 1076.6179 1011.2742 13.29_521.8641m/z 521.864113 13.29 285.0107 238.3251 258.1296 258.7249 285.8815 289.5872 13.30_191.1788m/z 191.1787895 13.30 102.5993 151.5005 145.5223 131.5992 114.9960 100.5985 13.30_237.1823m/z 237.1822572 13.30 5104.0840 4131.8140 4441.1677 4793.6584 4479.7940 4459.8073 C13H26O2 Methyl dodecanoate Methyl dodecanoate MEDIUM 13.30_316.3200m/z 316.320006 13.30 195.6720 227.9651 223.9274 224.8850 203.6997 204.2001 13.30_435.2039m/z 435.2039151 13.30 3175.0874 3388.9354 3252.0313 3284.3387 3171.7249 3105.8698 13.31_161.0964m/z 161.0964036 13.31 1342.5272 1169.4693 1281.4507 1291.2319 1219.2045 1181.1025 C11H14O2 Methyleugenol Methyleugenol 4918 MEDIUM 13.31_189.1631m/z 189.1631331 13.31 136.6521 207.7165 227.5332 160.4410 196.8698 212.0448 C14H22O 4-tert-octylphenol HIGH 13.31_203.1792m/z 203.1791752 13.31 269.3914 308.4930 285.8432 271.1813 253.3797 247.5315 13.31_212.0529m/z 212.0528643 13.31 77.8981 85.1774 80.7513 85.2314 88.2069 109.8895 13.31_276.1704n 299.1611543 13.31 14163.4868 12041.3403 13296.9430 13728.1912 13083.0682 12887.4976 C17H24O3 Onchidal MEDIUM 13.31_302.2606n 285.2573205 13.31 3404.6830 4326.0314 3947.4560 4003.1225 3808.5828 3753.7452 13.31_514.3338m/z 514.3338105 13.31 1583.8940 1714.2354 1499.7481 1629.9021 1460.1450 1504.6149 13.31_518.2849n 519.2921336 13.31 24582.5533 27899.2303 26618.2162 27178.1302 26354.9393 26358.2452 13.31_543.8764m/z 543.8764049 13.31 220.7214 198.4101 175.0976 220.4668 242.1179 211.0801 13.31_565.2839m/z 565.2838982 13.31 2394.5706 2487.9674 2576.2112 2480.5669 2458.9970 2411.7070 13.31_581.2690m/z 581.269031 13.31 14428.6727 15116.6116 15035.4770 15131.0576 14595.0758 14519.3476 13.31_595.2893m/z 595.2893134 13.31 2404.5558 2469.8933 2537.4328 2571.6557 2491.8909 2492.3452 13.31_680.1944m/z 680.1943802 13.31 1365.4327 1415.2701 1427.1600 1388.6806 1411.3775 1334.6321 13.31_689.1834m/z 689.1833858 13.31 955.3225 1075.4807 1099.5838 1060.1460 984.7198 1020.2013 13.31_691.1879m/z 691.1878968 13.31 699.7942 844.9892 775.3375 864.7414 724.0041 783.3670 13.31_693.1815m/z 693.1815379 13.31 773.3363 994.3476 915.6814 926.2049 945.2927 841.7507 13.31_704.1557m/z 704.1556915 13.31 1029.0938 1122.7551 992.7015 953.7851 975.5122 1004.7353 13.32_734.1586n 717.1553508 13.32 572.7227 760.6182 617.6680 695.1006 600.8097 612.8141 13.33_515.2803m/z 515.2802857 13.33 2399.0252 2742.2342 2532.6580 2618.1607 2559.1986 2528.1168 13.33_531.2582m/z 531.2581562 13.33 5287.2299 5445.5884 5357.5962 5446.0842 5245.7884 5348.5781 C29H38O9 Roridin D MEDIUM 13.33_565.8890m/z 565.8890109 13.33 247.4805 170.2230 136.8745 177.1024 193.4093 166.2542 13.33_579.3272m/z 579.3271588 13.33 1617.9321 1496.5554 1671.2038 1602.8887 1642.8916 1535.2569 13.34_325.2073m/z 325.2073016 13.34 4288.7623 3719.3896 3925.5859 4034.4483 3890.9118 3965.8509 13.34_379.2161m/z 379.2160913 13.34 28958.5515 25552.8363 27248.4623 27874.5821 26944.3207 27241.7952 13.34_715.3339m/z 715.3338828 13.34 225.9283 214.8350 212.2118 255.3538 278.7373 230.9013 13.35_398.3170n 381.3136905 13.35 260.1096 375.8615 289.0086 305.8200 266.6136 287.4292 13.35_651.3659m/z 651.3659088 13.35 1699.6954 1894.1433 1732.7796 1817.7872 1741.8295 1764.5220 13.36_234.1601n 235.1673328 13.36 16570.5180 14391.1960 15400.2528 16267.5950 16226.0340 15485.4395 C15H22O2 Scirpene MEDIUM 13.37_637.4030m/z 637.4029975 13.37 3231.6752 2877.7197 3265.2752 3259.5296 3324.7425 3312.8722 13.38_301.1762m/z 301.1762035 13.38 8429.5125 7352.2000 7958.4699 8376.1829 7810.3017 8036.5957 13.39_95.0871m/z 95.08708129 13.39 101.7252 56.4742 55.2404 70.0067 94.1521 58.0158 13.40_332.3302m/z 332.3302358 13.40 2715.3325 2358.6937 2466.5013 2594.5406 2496.6188 2622.9589 13.44_337.0773m/z 337.0772571 13.44 16554.6797 14456.8493 14618.9852 14235.1768 14480.3123 14969.2733 13.44_347.1264m/z 347.1264364 13.44 2860.2409 2377.7974 2822.2676 2666.4130 2744.8247 2658.8606 13.44_399.3247m/z 399.3246865 13.44 118.2592 191.8982 196.4011 146.8522 152.9577 160.7580 C27H44O3 Calcitriol "1alpha,25-dihydroxyvitamin D3" 17823 MEDIUM 13.46_219.1713m/z 219.1713351 13.46 320.8114 267.7498 286.4407 253.1794 371.3219 258.8432 13.46_358.8711m/z 358.8710608 13.46 485.4800 389.1598 365.9888 403.7377 393.6773 396.7503 13.47_283.2241m/z 283.2240975 13.47 434.7295 308.7857 349.2881 359.3547 314.5456 322.4899 C17H33NO3 Cocoyl sarcosine MEDIUM 13.49_119.0203m/z 119.020292 13.49 78.8335 76.5781 76.2764 67.9877 61.7667 62.1728 13.49_609.3333m/z 609.3332797 13.49 2789.4439 2793.5475 2798.8590 2834.9437 2829.2459 2754.8430 13.51_273.1775m/z 273.1774684 13.51 2410.2214 2181.8102 2259.9586 2435.7850 2201.1779 2315.6456 13.52_245.1565m/z 245.1564572 13.52 135.7159 151.3958 109.9554 105.5350 128.7544 116.9504 C9H17N5S Ametryn 22472 MEDIUM 13.53_133.0311m/z 133.0310898 13.53 162.8886 140.7694 134.0663 158.4532 159.3386 124.0491 13.53_205.1191m/z 205.1191182 13.53 113.8422 87.3659 66.0739 110.3474 20.2072 82.3946 13.53_228.1245m/z 228.1244759 13.53 222.6098 209.3966 236.9902 182.1563 150.6431 133.2549 13.53_234.0632n 257.1062167 13.53 2098.7213 1764.0607 1988.9636 1884.3357 1946.6321 1932.9780 13.53_280.0918m/z 280.0918429 13.53 573.1885 403.4808 475.2612 401.0278 434.1673 401.8837 13.53_717.2390m/z 717.2389769 13.53 590.1408 519.5043 522.1739 539.5564 527.8181 513.7279 13.54_281.1699m/z 281.1698699 13.54 4957.2493 4446.3165 5016.1825 4967.1844 4968.8859 5104.5656 C14H26O4 Tetradecanedioic acid Tetradecanedioic acid HMDB00872 MEDIUM 13.54_531.2222m/z 531.2222181 13.54 2256.0992 2881.7860 2593.6615 2602.1102 2439.1984 2489.0660 13.54_593.1925m/z 593.1924999 13.54 466.7323 742.7849 628.0654 579.6879 622.7360 567.7215 13.57_214.2164m/z 214.2164127 13.57 2540.7836 2100.0383 2291.2526 2297.2944 2276.6017 2321.3515 13.57_415.3064n 416.3136672 13.57 6476.1353 7607.5352 6934.5783 6988.4592 6467.7662 6602.5462 13.57_576.2076m/z 576.2076353 13.57 656.1048 806.7542 732.8273 677.1528 721.9419 660.2655 13.58_398.3169n 381.3136085 13.58 598.5066 791.6270 629.9600 625.6789 610.3074 604.9455 13.58_651.3676m/z 651.367603 13.58 4306.9057 5458.1367 4895.8351 4995.0650 4463.1864 4777.1587 13.58_667.3352m/z 667.3352124 13.58 2111.3465 2523.4558 2297.7125 2308.7967 2114.5100 2261.1818 13.58_807.1903m/z 807.1903257 13.58 246.6036 235.8177 244.9788 251.5510 225.5290 220.7285 13.59_310.2290m/z 310.2289958 13.59 1942.7821 1767.5641 1770.2159 1879.1593 1728.0808 1823.2581 13.61_515.2780m/z 515.2780483 13.61 2154.1900 2334.9606 2302.4194 2229.0313 2127.1969 2202.7682 13.62_225.1858m/z 225.1857533 13.62 315.7848 295.3392 279.1472 269.9951 319.6404 291.1036 13.62_251.9473m/z 251.9473422 13.62 601.8309 456.0088 573.9598 526.8493 523.7618 595.8204 13.65_137.0266m/z 137.0265697 13.65 190.8555 187.1385 227.0576 200.5605 219.7947 248.5511 13.65_245.9283m/z 245.9283314 13.65 883.7206 703.9221 734.4962 765.7366 764.0616 788.7765 13.65_305.1373m/z 305.1372561 13.65 2404.5927 2506.5293 2516.3574 2536.6593 2439.8275 2548.3883 C15H22O5 Artemisinin MEDIUM 13.67_164.9400m/z 164.9400141 13.67 89.3893 78.2912 91.0324 56.6840 53.8366 100.4928 13.67_314.3417m/z 314.3417176 13.67 254.8966 199.6117 226.8744 223.5541 226.3571 208.3646 13.68_239.1982m/z 239.19821 13.68 1696.8297 1340.1997 1493.4846 1493.6414 1503.1853 1412.1275 13.68_261.9365m/z 261.9365431 13.68 611.7886 538.8559 499.5484 474.3364 592.3693 537.0970 13.69_176.1172m/z 176.1171562 13.69 1139.6443 1030.1546 1214.3643 1038.8399 1095.1457 1144.1677 13.69_330.3361m/z 330.3361137 13.69 728.0559 636.9135 648.5313 652.1927 633.6718 660.7803 C20H40O2 Phytanic acid Phytanic acid 16285 MEDIUM 13.69_621.4138m/z 621.4138186 13.69 3449.4466 3075.9310 3247.3596 3454.4831 3285.6070 3406.0443 13.70_133.0655m/z 133.0654648 13.70 243.4753 182.7165 207.7896 176.8289 214.2604 202.0729 C9H10O2 Benzyl acetate 52051 MEDIUM 13.70_159.1171m/z 159.1170933 13.70 204.8942 143.6181 170.0131 193.8128 192.4755 149.7532 13.70_178.0999n 161.0966309 13.70 4296.7458 3620.5961 3885.4537 4045.2162 3953.6083 3961.2548 C11H14O2 Methyleugenol Methyleugenol 4918 MEDIUM 13.70_205.1952m/z 205.1951853 13.70 70.5025 88.4798 71.1433 82.8466 47.1216 51.7422 13.70_327.2083m/z 327.2083477 13.70 5103.6633 4343.2439 4670.2232 4693.5189 4592.2239 4758.7320 13.72_105.0343m/z 105.0342818 13.72 343.9461 294.2030 331.3476 346.9280 344.3927 334.6776 C7H6O2 Benzoic acid Benzoic acid 30746 MEDIUM 13.72_163.0759m/z 163.0759205 13.72 1122.1718 1053.9104 1052.5652 1050.5234 1118.7927 1159.9503 C10H12O3 Propylparaben HMDB32574 94-13-3 HIGH 13.72_163.9784m/z 163.9784092 13.72 115.7315 101.6738 102.7335 114.7642 106.3972 112.6219 13.72_255.1924m/z 255.1924114 13.72 3423.6947 2809.5457 2990.9856 3185.5086 3089.9484 3077.4945 C15H29NO3 Lauroyl sarcosine MEDIUM 13.72_326.3774m/z 326.3773694 13.72 4760.2454 4114.9166 4407.4686 4402.8469 4398.6764 4621.7344 13.72_365.1359m/z 365.1359168 13.72 40387.3979 34523.1150 38240.9826 39164.6853 37916.7386 39308.2574 13.72_427.1072m/z 427.1072433 13.72 603.9311 546.5813 601.1099 544.4591 571.6332 572.4225 13.72_451.2729m/z 451.2728765 13.72 5978.3546 5225.3907 5563.9300 5674.2658 5765.6684 5658.7856 13.73_367.2413m/z 367.2412868 13.73 23659.2302 22188.7438 21973.2886 22510.1683 21937.5918 22367.8608 13.73_372.2309n 355.2276415 13.73 9118.0200 8838.0383 8923.1254 9020.3099 8786.2503 8992.2651 13.74_284.3306m/z 284.3305639 13.74 1381.6463 1187.7703 1276.2666 1317.3218 1344.7380 1302.0397 13.74_431.2724m/z 431.2723614 13.74 3408.6578 3784.8899 3615.9252 3674.9368 3577.1476 3595.2940 13.76_487.3222m/z 487.3221541 13.76 5640.4562 4864.6063 5353.5541 5593.6305 5512.6035 5588.4583 13.77_252.9158m/z 252.9157809 13.77 431.3449 344.8526 376.3038 393.7269 339.7217 411.0623 13.80_457.2765m/z 457.27654 13.80 25583.9032 22189.2997 24113.9104 24493.9618 24357.6678 24223.4405 13.81_261.9359m/z 261.93586 13.81 621.3666 475.6053 563.1213 576.3870 526.4305 594.4487 13.83_226.1934n 249.1823724 13.83 35528.4806 29910.5958 32777.3063 33687.9846 32420.8048 33007.4739 13.83_299.2184m/z 299.2183662 13.83 2394.6361 1949.7879 2085.5533 2189.4611 2102.5049 2093.7348 13.84_301.1414m/z 301.1413572 13.84 36625.9039 32755.3805 34028.6518 37070.2307 35543.9260 37060.8841 C16H22O4 Mono-n-octyl phthalate 5393-19-1 MEDIUM 13.84_340.0872n 363.0790432 13.84 6793.8963 5938.4291 6135.3812 6609.0237 6336.1063 6430.8310 13.84_695.4463m/z 695.4463008 13.84 792.3981 779.2391 760.3350 928.4418 862.1095 885.4509 13.86_100.1132m/z 100.1131673 13.86 229.1357 216.5768 214.5907 205.6007 217.4181 206.0620 13.86_351.0916m/z 351.0916248 13.86 6270.3673 5701.9290 5615.0245 5390.0360 5505.8438 6006.9434 13.87_242.2851m/z 242.2850871 13.87 134960.5563 117594.0816 134134.7398 146293.4422 140852.9290 146337.0544 13.87_335.1257m/z 335.1257118 13.87 66223.3960 71575.8677 62153.4955 63613.4911 61998.2802 63044.8746 C19H20O4 Butyl benzyl phthalate Benzyl butyl phthalate 85-68-7 MEDIUM 13.87_397.0976m/z 397.0976466 13.87 1137.7943 1332.4583 1110.1150 1096.8315 1095.7545 1141.2194 C16H17F5N2O2S Thiazopyr Thiazopyr MEDIUM 13.87_520.4357m/z 520.4357402 13.87 1785.7142 1505.9497 1716.2010 1886.4135 1818.8276 1943.5138 13.87_554.4208m/z 554.4208041 13.87 5947.5779 6802.2350 5706.7105 6332.1166 5899.4614 6186.5023 13.87_91.0549m/z 91.0549125 13.87 304.1872 324.6301 271.2045 258.8312 244.1694 255.0794 C7H8O p-Cresol P-Cresol 17847 MEDIUM 13.88_242.3309m/z 242.3309414 13.88 1106.1118 924.3430 1030.5187 1150.0919 1140.0663 1185.2384 13.88_242.4114m/z 242.411393 13.88 2760.2059 2313.5112 2664.3334 2975.3810 2826.1299 2826.7557 13.88_591.3139m/z 591.3138827 13.88 3771.4238 4160.9712 3913.7464 4081.8711 3834.7842 3838.4524 13.88_71.0865m/z 71.08652959 13.88 123.6760 117.4740 135.0519 119.9057 137.0429 137.5686 13.88_85.1020m/z 85.10196032 13.88 256.6417 225.1306 239.0651 275.7976 239.6340 278.9819 C6H14O 1-Hexanol 113441 HIGH 13.91_239.1989m/z 239.1988552 13.91 737.5661 585.9548 631.6602 665.2906 660.8031 635.9087 13.92_233.1898m/z 233.1897705 13.92 958.2076 835.1977 902.0469 899.3529 871.3622 896.6691 13.93_149.0241m/z 149.024107 13.93 6325.3290 5629.1852 5906.6731 6053.7604 5918.6080 5875.5891 13.93_163.0397m/z 163.0396527 13.93 12213.5328 10320.3440 11483.3468 11567.3450 11384.8805 11340.3549 C9H8O4 Monomethyl phthalate 491486 HIGH 13.93_205.0866m/z 205.0866152 13.93 1103.1657 921.1615 962.9422 982.3214 919.0681 952.9065 C12H14O4 Monobutylphthalate HIGH 13.93_281.1718m/z 281.1718214 13.93 6310.0751 5465.1568 5827.4078 6234.9060 6175.0047 5989.1201 C14H26O4 Tetradecanedioic acid Tetradecanedioic acid HMDB00872 MEDIUM 13.93_301.1413m/z 301.1413438 13.93 106322.0106 89714.9415 101353.3205 103700.5996 102685.1040 103134.4477 C16H22O4 Mono-n-octyl phthalate 5393-19-1 MEDIUM 13.93_363.1132m/z 363.1131841 13.93 3710.8242 3369.2570 3798.7567 3692.0621 3681.0646 3632.9816 13.93_387.0809m/z 387.0809438 13.93 751.3208 671.8066 816.7984 709.5085 721.9737 730.0801 13.93_410.1047m/z 410.104717 13.93 630.1071 528.9884 630.5047 565.3637 548.9488 544.4856 13.93_579.2974m/z 579.2973664 13.93 1285.0744 1089.1961 1243.6185 1247.4299 1217.8020 1194.4258 13.94_176.9692m/z 176.9692455 13.94 772.4784 693.1418 715.4464 701.4497 708.7097 702.1260 13.95_252.9180m/z 252.9179713 13.95 763.2016 577.2012 656.0130 652.2291 650.8424 711.0490 13.95_402.3573m/z 402.3572522 13.95 3360.9594 3005.9978 3084.6967 3233.4646 3213.1875 3185.2435 13.96_240.2304m/z 240.2303705 13.96 357.1735 265.0472 338.1552 342.7114 350.3437 248.6063 13.97_269.2087m/z 269.2086606 13.97 3637.4334 3179.9950 3388.5637 3445.4313 3492.8362 3217.4626 13.98_372.3465m/z 372.346457 13.98 218.5178 203.7161 185.1601 218.9287 179.5844 203.7738 14.01_451.1367m/z 451.136727 14.01 1221.0690 1090.9124 1145.7558 1184.3741 1152.2591 1147.7668 14.02_214.2178m/z 214.2177608 14.02 333.0171 230.2710 259.8209 249.1467 295.7802 276.3701 14.02_870.4601m/z 870.4600993 14.02 316.7055 216.7035 269.4094 200.2759 272.7065 255.1909 14.03_884.4753m/z 884.4753246 14.03 257.7126 245.5810 248.6788 249.1405 236.9270 270.9666 14.03_923.4862m/z 923.4862006 14.03 984.8775 749.1875 822.0421 897.8125 894.4158 874.0543 14.04_598.7471m/z 598.7470895 14.04 121.5985 113.6946 109.0345 97.1699 110.0333 158.6477 14.06_100.1134m/z 100.1134491 14.06 164.2309 147.6086 158.6976 144.0345 143.7172 141.9410 14.06_188.9389m/z 188.9389419 14.06 718.0072 586.0250 593.9642 623.9741 598.6592 631.8940 14.08_313.2348m/z 313.2347582 14.08 14069.2976 12391.6175 13176.1272 13879.1105 12959.6732 13254.0418 14.08_367.1741m/z 367.1741357 14.08 1916.4146 1770.6023 1800.6519 1954.2871 1898.3503 1968.4063 C19H26O7 Diacetoxyscirpenol Diacetoxyscirpenol MEDIUM 14.09_253.2137m/z 253.2136506 14.09 11279.5930 9295.6384 9929.8210 10277.5042 9870.9281 9888.3980 14.09_293.2090m/z 293.2089637 14.09 48393.3219 41893.8627 44735.0772 46748.7088 45198.9145 46688.4302 14.09_339.2496m/z 339.2495803 14.09 5826.1700 4963.2299 5344.1173 5559.0264 5661.3797 5667.8085 14.09_355.2122m/z 355.2122149 14.09 4403.9972 3856.0503 4110.2130 4273.9645 4114.3448 4201.9720 14.11_360.3622m/z 360.3621873 14.11 1373.8325 1203.2787 1313.1746 1335.1916 1235.5273 1318.1872 14.14_324.3191n 325.3216145 14.14 522.5279 492.0211 614.8737 458.0715 544.9898 425.2001 14.14_357.2609m/z 357.2608807 14.14 13115.4810 11356.2971 12211.8894 12963.2157 12771.6073 12748.7756 14.14_679.4558m/z 679.4558361 14.14 2349.3797 2117.4155 2184.1790 2222.8361 2141.6497 2223.9021 14.15_274.1607m/z 274.1606669 14.15 1611.5303 1340.9575 1431.1615 1383.1111 1316.7819 1429.6124 14.15_311.2555m/z 311.2554952 14.15 155.5863 89.6275 87.4944 116.7371 118.8173 118.8065 14.15_356.3520m/z 356.3519923 14.15 333.7635 282.1896 327.4273 337.7684 319.1364 294.1506 14.16_241.2160m/z 241.2159715 14.16 31.4581 39.2370 17.8572 44.8143 12.4041 47.4710 14.16_261.9348m/z 261.9347704 14.16 1200.0129 842.4299 983.4700 909.6742 982.5375 1016.6096 14.16_268.2616m/z 268.2615664 14.16 546.6682 408.5278 505.6889 509.8935 539.7347 519.5184 14.16_371.3267m/z 371.3267393 14.16 420.2225 322.9469 423.8686 369.0663 378.5419 365.3733 14.17_353.2286m/z 353.2285518 14.17 7253.5007 5859.8447 6449.3421 6365.8618 6324.7842 6448.9680 14.19_297.2044m/z 297.204387 14.19 15063.0282 25198.5541 16130.0518 16954.1138 17260.0997 19478.9111 14.19_359.1744m/z 359.1743715 14.19 1980.7300 3044.7563 2109.7515 2207.9912 2343.4968 2471.2571 14.20_401.2860m/z 401.2860118 14.20 13644.7384 11742.8845 12911.7573 13578.0663 13440.3983 13418.5168 14.20_641.7647m/z 641.7646935 14.20 137.7917 124.2104 147.6882 168.1769 118.2920 137.5378 14.21_132.9218m/z 132.9217815 14.21 136.5728 95.3852 121.1301 125.7754 105.8599 111.1562 14.21_396.2736m/z 396.2736167 14.21 1452.5657 1146.3390 1273.2154 1231.4003 1269.4093 1269.1551 14.22_252.9159m/z 252.9159411 14.22 326.0474 344.6050 388.2030 415.2677 397.2887 316.1113 14.25_256.8165m/z 256.8164755 14.25 143.2669 125.5845 125.9256 132.5547 109.5642 121.0492 14.25_381.2595m/z 381.2595288 14.25 4839.4004 4182.1643 4318.2981 4356.9153 4393.5755 4586.4334 14.25_445.3125m/z 445.3124989 14.25 6052.9712 5138.3271 5492.0017 5908.2531 5976.0087 5870.6652 C24H47NO7 Galactosylsphingosine Psychosine HMDB00648 HIGH 14.25_545.3650m/z 545.3649554 14.25 3438.0970 2967.0773 3262.8990 3421.4744 3294.9356 3466.9283 14.26_156.8913m/z 156.8912724 14.26 86.3968 35.7863 64.5467 64.4043 55.6803 28.2761 14.26_219.2100m/z 219.2099855 14.26 98.9995 68.2290 84.5344 94.1967 62.0477 82.9999 14.26_299.1621m/z 299.1620696 14.26 3362.5192 2899.6216 3087.6950 3128.1910 3123.5804 3262.6513 14.26_398.2417n 421.2330267 14.26 54269.9924 46685.4151 51503.6642 54200.6505 52606.6389 54149.8586 14.28_367.1756m/z 367.1756399 14.28 1783.6023 1617.7923 1702.4503 1810.7103 1759.3677 1758.0148 C19H26O7 Diacetoxyscirpenol Diacetoxyscirpenol MEDIUM 14.29_372.3469m/z 372.3468793 14.29 607.5637 481.5813 503.0336 516.6319 472.2657 556.3641 14.30_445.2537m/z 445.2537344 14.30 1420.4121 1361.3464 1364.5737 1514.4453 1450.5898 1577.7447 14.30_74.9546m/z 74.95462481 14.30 131.8551 112.9964 115.9729 118.9390 113.6323 117.6571 14.30_879.3061m/z 879.3061394 14.30 361.5909 304.9778 239.3539 306.1265 269.9929 326.8808 14.31_188.9299m/z 188.9298587 14.31 384.9601 330.9724 372.2523 330.4006 350.0246 353.9466 14.33_132.9212m/z 132.9211758 14.33 117.5715 89.6084 107.5628 102.3162 102.7758 108.6554 14.33_377.0923m/z 377.092264 14.33 582.8665 480.0556 544.8930 538.5390 561.2224 576.7002 14.34_220.8587m/z 220.8587253 14.34 177.6875 151.3536 159.0907 162.7188 150.5291 156.1195 14.34_269.2089m/z 269.2088719 14.34 6138.9473 5256.0092 5694.3806 5883.4704 5816.8592 5900.7950 C16H30O4 "2,2,4-Trimethyl-1,3-pentadienol diisobutyrate" MEDIUM 14.34_373.2022m/z 373.2021976 14.34 7840.7052 6838.0544 7234.3016 7380.6181 7108.2268 7373.3688 C22H28O5 Pyrethrum 39098 MEDIUM 14.34_411.0954m/z 411.0954118 14.34 12059.5092 10616.2743 10416.5446 10762.9692 10482.8181 10767.0194 14.35_342.3735m/z 342.3734812 14.35 89.5619 72.3992 104.0351 81.9783 77.7652 50.1692 14.35_684.7795m/z 684.7795331 14.35 182.4097 101.2988 117.0851 120.8571 167.7979 167.9902 14.36_305.1102m/z 305.110242 14.36 1068.7211 949.2828 1177.9488 905.2871 1359.7739 958.2676 14.36_358.3682m/z 358.3682287 14.36 368.6485 286.3536 304.5507 278.7516 302.2368 298.3916 14.36_371.1828m/z 371.1827595 14.36 5635.9524 4963.9381 5264.2821 5520.6578 5347.6068 5562.7254 14.37_162.9255m/z 162.9254864 14.37 124.6646 212.4481 189.3931 229.7132 206.8305 274.7466 14.37_326.3327n 310.310116 14.37 172.2821 150.1041 137.0729 137.0507 158.5408 152.6978 14.38_235.2066m/z 235.2066253 14.38 114.5590 80.4280 94.4206 101.7565 82.7734 99.1714 14.39_239.2011m/z 239.2011211 14.39 102.1031 82.1252 87.4471 96.0238 71.2409 74.2447 14.39_317.2080m/z 317.2080374 14.39 10805.0693 9381.5593 10071.8259 10321.8311 9917.3839 10271.3028 C20H28O3 "15-Deoxy-d-12,14-PGJ2" HMDB05079 MEDIUM 14.39_629.1646m/z 629.1645711 14.39 1319.8673 1211.5024 1271.1224 1394.9150 1342.9776 1472.6907 14.40_280.2107m/z 280.2106527 14.40 24154.0367 21253.4109 23009.2517 23294.8047 23037.0180 23113.1430 14.40_416.3714m/z 416.3714136 14.40 697.1521 509.8128 509.6059 602.7816 513.1844 588.6374 14.40_682.3206m/z 682.3205951 14.40 439.0945 395.3722 426.7981 421.1419 485.8436 404.4454 14.41_263.1980m/z 263.19804 14.41 19792.8121 17499.2708 18991.9919 19670.0178 19274.1323 19544.2567 14.41_313.2342m/z 313.2341564 14.41 10662.1228 9354.3121 9962.8407 10269.8780 9989.8071 10148.6819 14.43_265.2123m/z 265.2123231 14.43 25054.4552 21317.2345 23249.2783 23363.9450 23404.8936 23440.8327 14.43_295.1886m/z 295.1885842 14.43 15033.1603 13288.0847 14679.8752 15208.1837 14915.4627 15568.6360 14.43_312.3623m/z 312.3622923 14.43 6356.5179 5376.0810 5862.2228 5877.5401 5904.8613 5984.5930 14.44_108.9282m/z 108.9281733 14.44 90.0517 83.8566 70.6487 76.0164 37.7140 70.4572 14.45_315.1581m/z 315.1580985 14.45 7306.2688 6280.2958 6915.8234 7012.4228 6872.5503 6999.5410 C17H24O4 Monoisononyl phthalate 106610-61-1 MEDIUM 14.45_380.3631m/z 380.3630714 14.45 119.6179 90.2290 85.6991 74.7692 64.2945 105.6549 14.46_223.2034m/z 223.2034461 14.46 75.7252 64.5534 48.1064 46.0678 89.2811 24.5419 14.46_357.2607m/z 357.2606514 14.46 6273.2563 5417.1689 5973.5774 6203.2051 6042.4444 6153.5162 14.46_716.4298m/z 716.4297745 14.46 1350.3100 1246.2396 1361.9271 1313.0279 1196.9574 1347.3279 14.47_361.2324m/z 361.2323507 14.47 3508.1294 3005.7117 3323.4102 3318.2767 3175.9594 3257.3896 14.48_327.3368m/z 327.3367711 14.48 385.3164 300.2264 331.9201 297.7975 299.8974 349.5331 14.48_727.3013m/z 727.3013499 14.48 388.3609 395.9649 348.7311 346.6937 332.1593 383.2191 14.48_727.7965m/z 727.7964939 14.48 162.5822 106.2599 174.8951 155.9831 149.6682 152.4952 14.50_298.3462m/z 298.3462154 14.50 697.3251 636.5107 771.7511 726.1425 705.0262 739.5868 14.50_391.1080m/z 391.1080164 14.50 18231.2506 15678.2001 17336.8082 17264.7758 17126.0228 17480.2001 C21H21O4P TCP 1330-78-5 HIGH 14.50_571.1590m/z 571.159016 14.50 1679.3226 1444.5525 1547.7581 1595.9987 1503.5014 1486.6350 14.51_284.3296m/z 284.3296113 14.51 392.2286 346.4767 327.0969 387.7784 291.9543 310.0928 14.51_459.3478m/z 459.3478332 14.51 1063.2478 788.5008 1013.2911 876.1874 943.4139 904.8380 14.52_270.3148m/z 270.3147709 14.52 236.2918 171.1190 182.0952 170.6749 176.8758 197.4634 14.52_309.2369m/z 309.2368791 14.52 15239.9652 11690.7540 12609.9643 12046.4327 11160.5890 12674.9594 14.52_349.2339m/z 349.233926 14.52 36444.8215 31483.8518 34098.6420 34607.7276 34152.1503 34406.0340 14.52_369.3833m/z 369.3833004 14.52 93.6191 46.1944 94.9205 69.0776 91.5665 95.8614 14.53_239.1995m/z 239.1995023 14.53 91.9877 95.7625 98.8084 82.5082 96.7248 111.3444 14.55_737.5001m/z 737.500129 14.55 2615.1063 2130.6389 2397.0305 2276.6380 2260.8060 2260.0055 14.56_249.1729n 267.2289608 14.56 19696.3586 16475.8428 18052.0882 18241.6132 17718.4434 17906.1049 14.56_314.3453m/z 314.345268 14.56 73.7088 93.2054 67.6441 113.2782 109.3378 92.1171 14.56_430.3888m/z 430.3888229 14.56 4879.9742 4354.5732 4677.1229 4572.6655 4548.1576 4637.7524 14.57_311.2565m/z 311.2565136 14.57 633.4392 623.2951 532.3591 559.4735 502.9664 579.1076 14.58_119.0201m/z 119.0201171 14.58 83.4555 79.0945 85.9691 72.8923 83.9895 75.4793 14.58_251.9486m/z 251.9486043 14.58 111.5463 69.5403 89.8145 94.1929 69.9566 90.0469 14.58_683.4958m/z 683.4957758 14.58 547.4759 426.3933 405.7518 376.3280 447.4930 415.0350 14.59_173.1332m/z 173.1331875 14.59 73.2501 60.7059 68.9792 57.8829 61.3426 65.8785 14.59_323.2155m/z 323.2155044 14.59 23262.8165 18334.1007 20023.8256 19695.9147 19458.4449 19901.0382 14.59_400.3777m/z 400.3776855 14.59 521.3538 313.7738 440.2859 425.6503 489.8795 445.0897 14.60_309.2040m/z 309.2040039 14.60 27346.4223 24074.6982 26188.4049 26762.8940 27517.4812 27142.6804 14.60_770.3152m/z 770.3151878 14.60 260.2212 145.6351 205.3927 276.4168 198.3035 211.1652 14.61_213.0374m/z 213.0374418 14.61 822.7885 701.6498 891.5919 800.2466 762.0010 819.1126 14.61_239.1995m/z 239.1994785 14.61 137.0162 105.9533 106.5282 102.6017 109.8677 113.7979 14.61_254.0791n 255.0864067 14.61 4564.8589 3828.3790 4195.7794 4165.7914 4245.2078 4322.1311 14.62_223.9099m/z 223.9099363 14.62 90.8362 109.9801 104.4949 121.7879 129.9270 137.6278 14.62_74.9545m/z 74.9545085 14.62 96.4720 89.6754 96.1540 87.5751 84.6108 94.3170 14.66_260.1775n 283.1670488 14.66 5101.4189 4406.0755 4148.3976 4634.9866 4642.0336 4528.6300 14.66_268.9530n 252.9149175 14.66 358.9064 107.7773 303.8581 276.7106 304.9376 276.7338 14.67_388.3934m/z 388.3933841 14.67 3156.4652 2676.5139 2828.6941 2849.4993 2809.1771 2939.6094 14.67_403.2153m/z 403.2152931 14.67 18832.7798 16726.9871 17740.0072 17576.8632 17412.4647 17642.2925 14.67_827.4425m/z 827.442463 14.67 557.3447 465.6787 418.6578 382.0368 446.7490 478.5715 14.68_157.0171m/z 157.0170712 14.68 437.7434 379.5889 392.3461 414.7605 411.0134 399.0114 14.68_178.1436m/z 178.143567 14.68 153.0192 123.8769 127.0861 115.8522 145.4717 121.4866 14.69_274.2299n 257.2266115 14.69 975.2322 2355.8087 1518.4247 1434.4106 1270.6175 1291.3998 14.69_473.2517m/z 473.2517413 14.69 8274.5511 14297.4970 10434.2789 10210.8454 9392.8986 9341.4335 14.69_535.2258m/z 535.2257613 14.69 5450.3879 8323.3424 6503.7110 6282.7160 6055.6571 5856.7235 14.69_559.1915m/z 559.1915418 14.69 1195.7140 1773.2324 1424.9626 1356.6158 1261.5653 1246.5757 14.69_561.1909m/z 561.1909007 14.69 947.9772 1275.3352 1056.2520 1072.8512 997.8284 987.7249 14.70_239.1305m/z 239.1304661 14.70 3411.6484 3040.3467 3187.7259 3249.9340 3225.4298 3245.9022 14.70_307.1230m/z 307.1230309 14.70 357.3688 543.4489 575.6354 308.8196 480.5742 522.1293 14.70_351.1916m/z 351.191603 14.70 3330.7826 2915.7523 3362.1558 3316.4754 3483.8831 3381.0926 C21H28O3 Pyrethrin I Pyrethrin I 27815 MEDIUM 14.70_625.3571m/z 625.357112 14.70 2668.0237 2282.1492 2531.6761 2445.6083 2459.2688 2388.4572 14.70_95.0874m/z 95.08737247 14.70 75.2415 72.3820 66.7778 76.5323 59.6747 66.2709 14.71_228.2322m/z 228.2321751 14.71 566.4434 426.4067 501.5536 527.4571 480.3766 500.7580 14.72_283.2226m/z 283.222608 14.72 3513.1161 2935.7629 3376.0627 3145.1689 3234.7982 3202.7489 C17H33NO3 Cocoyl sarcosine MEDIUM 14.73_319.2242m/z 319.2242262 14.73 2669.1580 2242.0522 2542.1472 2599.8493 2589.9066 2519.9905 14.73_384.3826m/z 384.3826339 14.73 1168.9484 1084.3792 1109.9833 1083.2904 1098.5376 1145.3639 14.73_527.3005m/z 527.300452 14.73 3817.0176 3368.8906 3579.9708 3541.6517 3529.1220 3555.2768 14.74_239.1988m/z 239.1987674 14.74 189.9982 125.8756 158.4160 152.2146 148.8012 150.3219 14.74_741.5396m/z 741.5395647 14.74 455.8560 395.7119 401.5777 290.7966 339.2064 358.2919 14.75_757.4664m/z 757.4664455 14.75 254.9036 290.7134 231.0298 296.4205 239.3851 231.7251 14.77_74.9543m/z 74.95430687 14.77 91.0423 74.3937 84.2433 81.0510 75.5826 78.0555 14.78_595.8126m/z 595.8125519 14.78 121.3328 109.3381 95.9931 115.4232 75.6446 88.2992 14.79_411.2964m/z 411.296441 14.79 1191.6250 913.5906 1046.8994 1075.2585 980.7792 951.0633 14.80_117.0709m/z 117.0708562 14.80 137.9783 84.3695 129.9885 129.1326 108.9976 102.0882 C9H8 Indene 33051 MEDIUM 14.80_263.9092m/z 263.9092121 14.80 687.4198 599.4179 658.0511 640.9657 695.5313 682.0138 14.80_337.1574m/z 337.1573811 14.80 6523.3042 5751.0828 6188.8337 6147.7262 6187.0329 6131.1331 14.82_119.0203m/z 119.020304 14.82 168.1056 131.1336 145.5716 152.3646 135.2446 138.4282 14.82_228.2326m/z 228.2325737 14.82 775.7451 738.7896 719.5753 708.9751 788.1011 750.5868 14.82_457.2399m/z 457.2398686 14.82 5093.9500 4456.0359 4907.6861 4744.9185 4837.8236 4766.0200 14.84_675.7662m/z 675.7661991 14.84 113.0157 110.5605 112.3158 95.0923 114.5908 80.3039 14.85_399.3710n 400.3783122 14.85 1887.7768 1740.9304 1777.9540 1668.5959 1688.5997 1721.8115 14.86_283.2225m/z 283.2224838 14.86 9148.7033 7994.4635 8578.9962 8619.9439 8516.0619 8639.1703 C17H33NO3 Cocoyl sarcosine MEDIUM 14.87_795.5436m/z 795.5436102 14.87 3433.8766 2886.2293 3123.4897 2980.5406 2940.0165 2862.3115 14.90_318.8920m/z 318.8920389 14.90 6091.6064 5264.1633 5659.8597 5526.3452 5478.4312 5542.5849 14.91_325.2701m/z 325.2700823 14.91 514.7899 396.2686 442.5209 410.8125 359.0407 421.8846 14.91_327.2488m/z 327.248837 14.91 9697.4399 8375.5969 9009.8027 9139.4309 8863.5969 8971.6782 14.92_255.2313m/z 255.231304 14.92 142.9799 124.4370 179.6588 170.4165 107.3856 139.9848 14.92_277.2140m/z 277.2140128 14.92 13439.9120 11525.7813 12899.5135 13007.4669 12832.0725 12897.4963 14.92_444.4044m/z 444.4044223 14.92 1619.8181 1404.5295 1430.3616 1475.3721 1504.4336 1483.8611 14.94_759.3420m/z 759.3420478 14.94 1091.0322 892.1640 1005.8430 1011.3853 992.0505 996.9309 14.95_251.9481m/z 251.9480742 14.95 150.7689 127.0554 135.9441 50.9679 131.1464 84.5544 14.95_340.3940m/z 340.3939634 14.95 9969.3496 8612.1885 9544.4728 9599.5719 9395.5135 9444.0448 14.95_371.2752m/z 371.2751868 14.95 2971.8848 2346.3792 2703.5610 2714.1934 2726.0510 2682.1567 14.95_710.4771m/z 710.4771229 14.95 826.3386 687.8343 725.3353 784.5617 727.4841 816.8659 14.96_281.2454m/z 281.2454461 14.96 23807.1306 20196.7511 22043.6365 22513.3079 21774.8755 22019.4329 C18H35NO2 Spiroxamine 9242 MEDIUM 14.96_321.2404m/z 321.2403733 14.96 21342.8144 18614.5029 20150.1538 20821.8359 20359.4438 20526.0433 C20H32O3 8-HETE 8-HETE HMDB04679 MEDIUM 14.96_391.2407m/z 391.2406861 14.96 2785.9514 2341.4503 2520.4663 2485.0655 2389.1379 2450.5809 14.97_253.2160m/z 253.2160328 14.97 568.6237 468.0018 529.9235 519.9191 510.3591 505.1043 14.97_263.9086m/z 263.9086347 14.97 904.9240 807.5515 846.9215 867.0627 850.4439 839.8025 14.99_133.0300m/z 133.0299503 14.99 142.6006 131.8601 153.7140 155.7724 145.1250 146.5375 14.99_307.2241m/z 307.2240807 14.99 51524.3802 45513.2205 49992.4958 50492.7977 50467.7097 50920.7417 14.99_411.3031m/z 411.3031166 14.99 805.5442 612.9823 701.8935 663.3570 715.1060 680.3674 15.00_211.8578m/z 211.8577705 15.00 188.4014 152.6732 158.3345 153.8047 149.1455 163.6161 15.00_227.2255n 250.2116825 15.00 1441.8698 1158.9021 1278.0894 1302.0691 1276.8771 1251.2686 15.01_374.2433n 375.250558 15.01 16770.4136 14612.3423 15690.8985 16222.8697 16043.3378 16212.7842 15.03_503.3047m/z 503.3047367 15.03 6154.9971 5631.4727 5760.0997 5887.8498 5812.4454 5960.4879 15.03_806.5163m/z 806.5163104 15.03 291.3581 315.1777 219.6340 297.2362 245.8093 256.8802 15.05_324.2547m/z 324.2546619 15.05 1103.2377 969.1589 956.1723 1041.5118 908.7382 1014.1434 15.05_353.1667m/z 353.1666884 15.05 1589.1871 1340.3679 1571.9302 1608.3525 1638.9242 1430.2864 15.05_398.3505n 399.3577697 15.05 703.6132 586.0318 687.7260 580.0242 606.9812 605.0501 15.06_246.8273m/z 246.8272507 15.06 208.1380 145.4123 157.2466 175.3697 181.6226 138.8494 15.06_419.2750m/z 419.2750233 15.06 6009.8336 5189.6508 5629.4064 5716.8078 5636.5200 5639.1578 15.07_549.7937m/z 549.7936574 15.07 67.7478 85.4828 97.0943 56.8179 79.5092 56.2412 15.08_563.8068m/z 563.8068492 15.08 263.2159 277.2026 305.7436 372.9360 305.8778 299.4048 15.09_211.8571m/z 211.8570692 15.09 119.4969 65.4228 92.0848 118.2410 125.9712 122.4615 15.10_254.2473m/z 254.2472655 15.10 146.9201 181.5124 113.9465 192.5077 168.5584 195.4604 15.10_967.4689m/z 967.468871 15.10 628.0604 548.6987 626.7935 618.3474 514.8945 570.7764 15.11_485.1149m/z 485.1148897 15.11 3561.6794 3444.9502 3433.4433 3260.1497 3161.8490 2811.3393 15.11_724.4724m/z 724.4724457 15.11 383.6069 230.1994 372.7213 325.7097 377.3057 306.4821 15.11_840.3029n 823.2995948 15.11 415.4912 315.8645 385.9201 346.7000 360.3317 270.8283 15.12_291.1209m/z 291.1208729 15.12 157.6619 172.5119 82.5603 159.3251 171.8360 203.2241 15.12_387.2050m/z 387.2050155 15.12 2169.1934 3935.2052 2218.5041 2249.4533 2219.0562 2330.8193 15.12_507.3246m/z 507.3246075 15.12 3791.9743 3367.2429 3577.7514 3652.3353 3665.0375 3616.4047 15.12_519.3165m/z 519.3165202 15.12 31723.8282 29146.6596 30120.7958 30909.4293 30428.3150 30874.7758 15.12_739.4000m/z 739.4000345 15.12 956.2625 773.1443 955.4910 912.4665 825.6606 936.6084 15.12_767.5081m/z 767.5081241 15.12 759.3394 594.0217 680.6375 781.6147 633.2453 751.2904 15.12_811.5350m/z 811.534962 15.12 554.2294 430.3865 459.3762 424.3985 441.7769 401.9858 15.13_251.0464m/z 251.046447 15.13 2789.4893 2367.1635 2470.9920 2500.8775 2528.4377 2437.7691 15.13_385.1571m/z 385.1570897 15.13 5972.8892 5010.5611 5499.1203 5628.1934 5591.3426 5673.6794 15.14_503.1855m/z 503.1855316 15.14 2743.6147 2403.6024 2627.7239 2645.3087 2593.0542 2711.8816 15.14_551.3516m/z 551.3516399 15.14 3905.3930 3441.5010 3623.4051 3785.0816 3644.3612 3710.6528 15.14_853.5824m/z 853.5824391 15.14 6101.3106 4909.0462 5527.7629 5218.9795 5248.0491 5354.1426 15.15_429.2582m/z 429.2581726 15.15 4260.9803 3766.5565 3915.0404 4101.6965 3832.7955 4043.3541 C21H33NO7 Lasiocarpine MEDIUM 15.15_545.2919m/z 545.2919284 15.15 5838.4159 5165.5388 5580.8905 5581.7765 5484.3829 5458.1654 15.16_119.0202m/z 119.0202165 15.16 199.8767 175.5129 191.0831 179.2124 143.0944 172.9648 15.16_353.1905m/z 353.1905027 15.16 2054.9757 1828.5964 2073.9784 2006.7422 2146.7864 2102.1011 C14H25NO8 Zinc laurate MEDIUM 15.16_427.2441m/z 427.2441189 15.16 6114.3005 5242.2644 5655.5013 5789.1125 5713.5433 5821.3956 15.16_595.3785m/z 595.3785189 15.16 4228.6526 3684.8520 4020.6546 4030.6614 3938.5176 3952.6706 15.17_639.4038m/z 639.4038126 15.17 6355.6484 5438.5838 5979.2642 5894.7844 5974.0848 5976.5694 15.18_683.4291m/z 683.4290939 15.18 5523.9295 5036.0135 5176.5639 5358.2327 5183.7324 5365.2009 15.19_727.4570m/z 727.456989 15.19 5200.2082 4720.3863 4908.9318 4906.5792 4922.7122 4915.8457 15.20_516.7987m/z 516.798689 15.20 140.5506 107.7209 116.3850 95.8788 155.5452 157.9500 15.20_766.5264m/z 766.5263887 15.20 793.7192 636.2956 785.7453 698.2974 640.1891 748.1735 15.20_787.5068n 771.4841799 15.20 3939.0975 3367.4437 3545.2473 3579.2534 3300.1844 3486.1263 15.20_815.5103m/z 815.5102527 15.20 2620.2860 2129.6598 2392.9928 2444.1045 2300.9287 2476.2598 15.21_192.9798m/z 192.9798373 15.21 469.4778 401.9112 410.6704 454.8795 420.3671 415.7453 15.21_246.8275m/z 246.8274543 15.21 114.3063 76.0027 114.6685 102.4291 94.5326 86.3398 15.21_253.2140m/z 253.2140102 15.21 1010.8641 877.6255 874.1533 923.5458 947.6415 881.9041 15.21_757.3864m/z 757.3863885 15.21 764.9508 627.5354 594.8059 554.2363 663.3884 653.1295 15.21_757.8765m/z 757.8764631 15.21 159.0941 130.5661 135.9927 108.1759 156.6126 156.4136 15.21_783.3921m/z 783.3920718 15.21 458.7871 416.5319 410.6579 389.8311 401.8640 419.3620 15.21_859.5372m/z 859.5371808 15.21 1989.2835 1595.6703 1923.3575 1700.7194 1431.0913 1632.2230 15.22_295.2606m/z 295.2605929 15.22 15465.0235 12784.3922 14832.0702 15314.9930 14745.9409 15035.9158 C19H34O2 Methyl linoleate MEDIUM 15.22_341.2652m/z 341.2651681 15.22 4612.4789 3866.1131 4389.4171 4249.5583 4185.8392 4284.0343 15.22_903.5646m/z 903.5645791 15.22 1210.4724 1041.1683 1125.4159 1083.7062 1038.2102 1157.1282 15.22_947.5913m/z 947.5912532 15.22 659.0201 541.2137 634.8106 486.2908 505.9488 570.5016 15.23_778.4316m/z 778.4315859 15.23 500.4940 363.3882 417.4246 412.2480 387.9239 380.2427 15.23_870.4396n 893.4262802 15.23 4500.1676 4018.8649 4264.7439 4224.7000 4116.0694 4191.5387 15.23_991.6099m/z 991.6098809 15.23 248.5186 168.0289 268.5555 219.2071 240.3957 290.9440 15.26_385.2918m/z 385.2917969 15.26 3744.7157 3192.4459 3544.6640 3478.0032 3378.8294 3521.1091 15.26_425.1111m/z 425.1110903 15.26 6695.3465 5709.5161 5872.2412 5709.3452 5673.1910 5832.4757 15.26_529.2638m/z 529.2637891 15.26 2211.1519 1948.4263 2064.5855 2097.3308 2105.8914 2021.3383 15.26_551.8423m/z 551.8423159 15.26 140.0818 120.4471 166.9019 170.9226 179.6866 163.9585 15.28_429.2596m/z 429.2595698 15.28 3060.9776 2759.8930 2919.5068 3029.6473 2957.5722 3066.6643 C21H33NO7 Lasiocarpine MEDIUM 15.29_204.0811m/z 204.0810665 15.29 583.2517 473.3908 500.8720 577.4953 478.8712 522.6137 15.29_384.1938m/z 384.1937778 15.29 17848.0654 15322.3830 16791.1438 16866.4037 16575.0533 16952.5644 15.30_409.1247m/z 409.1247034 15.30 321.7848 490.5598 349.2672 412.0228 323.2123 311.2975 15.31_173.1328m/z 173.1327623 15.31 73.3954 68.7708 61.7908 52.4877 53.3818 61.5170 15.31_259.2037m/z 259.2037374 15.31 37.2728 82.1482 56.0691 35.3684 49.3856 53.5664 15.31_297.2389m/z 297.2388505 15.31 9057.2095 7536.6821 8424.7082 8501.0443 8437.2180 8468.8132 15.31_343.1889m/z 343.1889183 15.31 3707.1496 3137.1120 3601.7838 3440.0858 3430.6152 3531.5215 15.31_716.4034m/z 716.4033677 15.31 933.6790 662.5774 869.8564 917.2385 829.2245 789.4181 15.31_719.4749m/z 719.4749071 15.31 5076.6074 4437.1062 4843.1200 4954.6314 4866.7470 4769.3086 15.32_365.2655m/z 365.265473 15.32 11833.2992 10493.2286 11326.7439 11511.4543 11116.2694 11315.1304 15.32_517.3663m/z 517.3663294 15.32 1288.0806 1102.8021 1230.1691 1214.1165 1074.4243 1141.1854 15.33_386.3988m/z 386.3987817 15.33 1455.9855 1238.7327 1469.1076 1429.4263 1333.4401 1388.9134 15.33_953.6032m/z 953.6032124 15.33 699.0461 447.9475 580.3126 451.5563 566.6484 451.7518 15.34_262.2295n 263.2366823 15.34 2466.2689 2114.1338 2321.0516 2340.5103 2175.4214 2346.2325 15.34_335.2560m/z 335.2559719 15.34 52420.9270 45986.6807 49849.5066 51377.4396 49625.8672 51069.0968 15.34_842.5563n 865.5493062 15.34 3506.7828 2902.5073 3356.1407 3277.6452 3036.3133 3010.2091 15.34_909.5763m/z 909.5762951 15.34 837.8575 732.3719 744.2594 797.3082 742.6913 802.6087 15.35_246.8263m/z 246.8263135 15.35 88.6645 78.3875 104.4755 107.7448 96.7518 89.1048 15.35_341.2653m/z 341.2653182 15.35 6183.8318 5424.8011 6107.7606 6167.6259 6001.4727 6142.3992 15.35_427.2440m/z 427.2439695 15.35 4747.7410 4202.3016 4527.7011 4532.1520 4494.6999 4496.8898 15.36_798.5256n 821.5199471 15.36 7656.6165 6681.5537 6952.0548 6940.9661 6805.1717 6443.5010 15.37_321.2400m/z 321.2399823 15.37 20754.4356 17970.3126 19849.1865 20171.4259 19536.9928 19903.3417 C20H32O3 8-HETE 8-HETE HMDB04679 MEDIUM 15.37_376.3136m/z 376.3136412 15.37 1580.4950 1421.8370 1470.2277 1528.0303 1384.3274 1452.8166 15.37_385.2915m/z 385.2915475 15.37 3044.8343 2631.8411 2894.9476 2913.6600 2802.8297 2934.0602 15.37_754.5064n 777.5047392 15.37 12054.1215 11056.6181 11344.0218 11317.1016 10960.1988 11391.1824 15.38_309.2384m/z 309.2383632 15.38 7949.6384 7787.9789 8292.7834 8481.5123 8382.7879 8663.3363 15.38_357.1490m/z 357.1490481 15.38 9398.6766 9397.3792 9114.6631 9237.1810 9100.2680 9413.4401 15.38_710.4758n 733.470502 15.38 9144.4886 8162.6357 8831.5542 8918.0828 8446.6206 8722.0120 15.38_796.4119n 819.3909436 15.38 1490.6325 1511.4738 1657.2356 1544.8824 1470.6161 1695.2362 15.39_119.0203m/z 119.0202614 15.39 123.4087 110.9277 111.4686 113.8819 111.9361 116.4834 15.39_351.1315m/z 351.1314806 15.39 2142.0935 2013.9585 1866.4718 1862.2897 1847.1350 1887.7970 15.39_409.1222m/z 409.1222208 15.39 398.9805 383.4782 297.5804 227.2144 350.4345 319.5657 15.39_429.3182m/z 429.3182193 15.39 2385.2130 1827.7749 2103.6824 2079.7621 1887.4133 1974.1801 C24H44O6 Sorbitan oleate MEDIUM 15.39_433.1566m/z 433.1566277 15.39 5627.3163 5026.3776 5310.9021 5515.7125 5297.2861 5521.9359 15.39_911.6250m/z 911.6249824 15.39 4793.2199 4152.8412 4584.7339 4339.2640 4324.7212 4589.0460 15.40_666.4469n 689.4438746 15.40 12611.9357 11158.2944 12026.1574 12171.5167 11934.1006 12043.8898 15.41_333.2398m/z 333.2397755 15.41 4764.6614 4214.0095 4616.2231 4642.6787 4445.6187 4555.0272 C21H34O4 Carbacyclin MEDIUM 15.41_374.2999m/z 374.2999057 15.41 1311.2839 1190.7862 1197.7644 1243.7810 1136.7679 1268.3113 15.41_467.3078m/z 467.3077989 15.41 659.2182 488.7483 600.1320 553.4240 604.2505 590.2543 15.41_473.3403m/z 473.3402921 15.41 2443.3239 2138.2347 2323.9393 2314.2362 2246.8271 2346.4904 15.41_645.4175m/z 645.4175015 15.41 8333.9312 7577.0534 8081.1281 8196.9295 7968.1326 8244.2805 15.41_741.4472m/z 741.4471815 15.41 319.1842 335.0102 386.3256 346.6137 379.0751 326.3816 15.42_133.0320m/z 133.0319958 15.42 146.5243 129.2682 129.5803 130.6058 156.0498 137.5585 15.42_981.4799m/z 981.4799467 15.42 1266.0934 1031.8462 1160.7562 1123.8091 1172.5427 942.3875 15.43_578.3934n 601.3913916 15.43 8719.3784 7730.3596 8477.8023 8602.8548 8387.0367 8455.2551 15.44_344.2924n 367.2809585 15.44 47302.8989 40749.5147 44871.8045 45368.8709 44690.9030 44997.1271 15.44_605.4142m/z 605.4141781 15.44 2049.8771 1825.1650 1924.3261 2010.2833 1917.4741 1905.5316 15.44_813.4850m/z 813.485022 15.44 682.6041 598.5122 593.1216 630.7370 577.3739 606.0813 15.45_377.1302m/z 377.1302297 15.45 729.7836 595.5858 728.9234 695.4038 718.5789 752.4631 15.45_443.2081m/z 443.2080699 15.45 2959.3070 3088.8993 3197.6990 2802.4889 3213.4685 2919.1220 C25H32O8 Aurovertin B MEDIUM 15.45_557.3635m/z 557.3634991 15.45 4538.5996 3796.0745 4267.1813 4139.9189 4346.2323 4255.1252 15.45_649.4433m/z 649.4432896 15.45 1826.6845 1569.2102 1709.7646 1732.2148 1692.1929 1725.9133 15.45_693.4679m/z 693.4679299 15.45 1725.8038 1507.2564 1608.7455 1634.4776 1590.7220 1609.9727 15.47_302.2453m/z 302.2452515 15.47 367.5376 299.6479 364.4609 350.7874 362.8276 339.8205 15.47_737.4926m/z 737.492574 15.47 1969.8387 1728.9963 1835.5094 1857.0595 1809.0594 1871.7501 15.47_781.5162m/z 781.5162379 15.47 1762.4570 1537.2995 1576.9218 1618.4256 1677.7560 1590.2072 15.47_826.5574m/z 826.5573713 15.47 616.9694 518.7923 590.9477 565.9643 515.1584 515.0991 15.48_869.5749m/z 869.5749144 15.48 1143.3863 854.3612 1024.2252 903.0013 993.9318 893.2297 15.49_512.8195m/z 512.8195243 15.49 168.1831 164.9416 178.1715 163.1415 221.4208 162.7914 15.49_513.3311m/z 513.3311385 15.49 2670.9499 2368.1792 2509.2041 2623.2719 2533.0446 2552.5993 15.49_533.8181n 534.8253635 15.49 385.6649 287.0646 307.2443 287.0817 189.1701 184.8686 15.49_809.4903m/z 809.4903228 15.49 183.9902 140.9445 156.8162 215.2100 102.5114 204.8593 15.49_957.6254m/z 957.6254191 15.49 512.5324 432.7392 493.3084 405.5968 532.8175 461.5637 15.49_965.4576m/z 965.4575561 15.49 1110.1055 993.2907 991.2564 1107.5571 1101.5196 960.8915 15.50_277.2129m/z 277.2129022 15.50 3800.1963 3402.1402 3649.4560 3786.5593 3660.3720 3828.5439 15.50_339.2461m/z 339.2461153 15.50 3537.5778 4198.0589 3400.7171 3357.0353 3311.0519 3531.5838 15.50_400.4146m/z 400.4145998 15.50 995.1593 917.4735 967.9884 971.4936 925.9752 980.6851 15.50_538.5922m/z 538.5922223 15.50 126.0297 79.7954 111.2154 91.8897 112.8091 66.6902 15.50_691.4259m/z 691.4258645 15.50 3871.2284 3280.3349 3618.7467 3622.6967 3568.6906 3542.5087 15.51_311.2543m/z 311.2542544 15.51 24356.0282 21399.6045 23124.8236 24313.7176 23198.7058 24021.7184 15.51_619.3692m/z 619.3692325 15.51 3642.2781 3274.2558 3518.4117 3567.7502 3502.1479 3499.6579 15.51_893.4337m/z 893.4337446 15.51 2080.0728 1735.4500 1901.9315 1742.7865 1795.6197 1795.9620 15.52_444.2485n 427.2452284 15.52 7388.2919 6362.6405 6948.8965 6961.0643 6945.4843 7033.6647 15.55_429.2597m/z 429.2596672 15.55 3925.2841 3508.9935 3752.1094 3754.2671 3788.5931 3843.3751 15.55_685.2297m/z 685.2297354 15.55 553.7476 522.2169 618.7937 614.6483 612.0340 526.4302 15.55_721.4679m/z 721.4679189 15.55 2213.0477 2013.6733 2121.2847 2216.8278 2190.8450 2336.9277 15.56_425.2871m/z 425.2870948 15.56 3363.7877 3025.9515 3189.2682 3281.5104 3144.5765 3250.3981 15.56_485.1143m/z 485.1143012 15.56 539.8005 403.9345 454.4054 489.0350 464.5298 416.8516 15.56_907.4436m/z 907.4436268 15.56 1598.0095 1340.9465 1522.7357 1452.7670 1453.3118 1360.1718 15.57_269.1753n 287.1339311 15.57 3529.6387 2802.5694 2986.8452 3216.8515 3131.2572 3216.4745 15.57_284.1663n 267.1630002 15.57 14397.9854 12066.9691 13348.5661 13717.5569 13559.7190 13545.1258 15.57_285.1357m/z 285.1356968 15.57 4786.0193 4168.4472 4445.2478 4493.6163 4437.2469 4504.5658 15.57_289.1234m/z 289.12342 15.57 2397.9337 2074.6278 2241.5984 2241.5203 2236.8108 2236.5599 15.57_291.1278m/z 291.1278355 15.57 3632.8235 3047.2927 3267.7948 3309.4536 3360.0138 3265.6403 C10H18N4O6 Argininosuccinic acid Argininosuccinic acid 15682 MEDIUM 15.57_293.1294m/z 293.1294133 15.57 2421.2450 2168.3434 2385.2527 2349.4336 2392.6915 2468.3979 15.57_300.2030n 283.1997013 15.57 6269.2762 5372.1571 5795.6752 5874.4656 5760.6713 5814.5546 15.57_334.1559m/z 334.1558521 15.57 310.5958 313.4284 316.1665 334.0862 336.6715 287.0366 15.57_377.1424m/z 377.1424387 15.57 680.2493 573.2667 645.1785 668.9059 668.0953 657.9660 15.57_399.3081m/z 399.3080591 15.57 34775.5204 33629.5092 32933.2312 33934.0286 32688.4237 33555.3589 15.57_421.0884m/z 421.0883664 15.57 701.0979 573.6149 665.2419 627.0412 657.2625 636.6415 15.57_423.0862m/z 423.0862293 15.57 406.4712 337.1434 389.9919 351.9796 357.9939 317.1877 15.57_433.1943m/z 433.1942516 15.57 6484.6488 5543.9834 6021.8027 5918.9273 5988.9263 5986.9618 15.57_443.1317n 444.1142865 15.57 416.5634 384.2044 380.1176 339.4146 347.4743 365.3671 15.57_718.4043m/z 718.4042973 15.57 112.0606 78.3483 59.7741 58.5970 53.6644 67.7987 15.58_133.0321m/z 133.0320765 15.58 181.0680 159.0883 153.2078 171.2412 149.4648 164.1584 15.58_310.8077m/z 310.8076617 15.58 328.8827 274.9039 371.5157 293.9120 356.0231 324.0257 15.58_443.3338m/z 443.3338397 15.58 24525.1426 21158.9733 22376.4100 22665.2828 22094.8009 22250.2386 15.59_309.2755m/z 309.2754738 15.59 23046.1150 18456.7359 21593.8252 21410.1317 20924.1423 20954.7187 15.59_487.3603m/z 487.3603328 15.59 8139.5411 6977.6478 7473.6655 7523.6891 7458.0725 7404.1501 15.59_677.4696m/z 677.4695855 15.59 1248.4756 1124.7131 1135.5293 1211.5989 1116.5921 1175.2687 15.60_487.2325m/z 487.2325421 15.60 3662.6256 4010.5730 3630.9872 3638.2474 3514.1607 3548.3547 15.60_531.3842m/z 531.384191 15.60 3788.4109 2938.7755 3393.2264 3256.0694 3237.1957 3271.1089 15.60_969.6656m/z 969.6655542 15.60 4937.7689 4171.2793 4475.1812 4648.1398 4287.3029 4339.7372 15.61_357.2054m/z 357.2053702 15.61 7872.8343 6514.9112 7140.9164 7195.8031 7127.4119 7239.3935 C22H30O5 Jasmolin II 39114 MEDIUM 15.62_256.2638m/z 256.2637851 15.62 2186.3374 1856.4627 2058.7771 2011.6156 1949.0994 2021.5804 15.62_355.2813m/z 355.2812616 15.62 33926.8483 29522.3796 32079.7027 32737.5632 31697.1913 33550.4809 15.62_368.3404n 391.3281806 15.62 15600.0778 13159.9335 14695.2976 14902.1107 14717.6684 14827.4203 15.63_269.2725n 292.2618353 15.63 29838.1737 25107.5016 27341.9047 28308.8570 26793.3215 27143.5823 15.63_891.4174m/z 891.417395 15.63 1122.6144 943.4337 1023.1481 823.0644 1006.6214 943.8139 15.64_679.4197m/z 679.4197054 15.64 6834.4789 5857.5576 6124.8508 6141.9227 5988.0085 5908.5459 15.65_326.3768m/z 326.376817 15.65 45.8338 86.9301 34.8429 65.9829 107.3333 57.1171 15.65_413.4236n 414.4311943 15.65 5600.6737 4809.7651 5266.9209 5400.6279 5268.1611 5413.6566 15.65_498.3717m/z 498.3717387 15.65 1262.8036 1083.2139 1195.3208 1162.8045 1229.4729 1179.8399 15.66_372.8674m/z 372.8673675 15.66 1240.6628 898.1242 1142.4840 1002.2759 1016.3977 1119.1424 15.66_586.4197m/z 586.4197352 15.66 1011.5108 932.6575 946.1971 908.7622 908.9761 931.0264 15.68_351.2503m/z 351.2502978 15.68 17564.8240 15263.7723 16633.1856 16840.9403 16576.8132 16964.5747 C21H34O4 Carbacyclin HIGH 15.68_425.2879m/z 425.2878772 15.68 25017.2274 21396.0037 23252.7717 23153.6079 23075.5099 23195.5722 15.68_559.1339m/z 559.1338822 15.68 3298.0126 3098.6792 2780.5550 2831.5214 2737.0815 2683.4033 15.69_247.2423m/z 247.2423121 15.69 714.1944 651.6205 645.1209 644.8250 602.2510 683.5521 15.69_265.2518m/z 265.2518384 15.69 4878.1917 3831.0934 4205.9380 4591.6456 4188.7412 4481.2337 C18H34O2 Oleic acid Oleic acid 16196 MEDIUM 15.70_212.8778m/z 212.8777556 15.70 460.1578 456.2441 472.6517 430.9854 439.2044 422.7747 15.70_246.8278m/z 246.8277702 15.70 346.7624 254.6102 309.2566 258.5890 285.6950 276.3927 15.70_314.2803n 337.2715099 15.70 65061.5519 54764.0955 61361.3486 62287.1977 61589.1174 62162.4075 15.70_327.2257m/z 327.2256807 15.70 1209.8045 960.9996 1062.8743 1069.4293 1026.7662 1020.9453 15.70_429.3153m/z 429.3153186 15.70 2382.4786 2399.0752 2172.0336 2305.1083 1959.9061 2011.1374 15.71_413.1855m/z 413.1854885 15.71 1886.4388 1582.8133 1681.5963 1776.5071 1776.8257 1652.6455 15.71_530.1806n 531.2588166 15.71 4717.9761 5021.3329 4469.8897 4696.9592 4457.9668 4562.1780 15.71_535.1499m/z 535.1499356 15.71 7339.6192 6543.2817 7069.3431 7224.6159 7226.6656 7373.1802 15.72_335.2563m/z 335.2563175 15.72 33507.9659 28930.4289 31775.4724 32299.4135 31987.7842 32380.1187 15.72_466.5346m/z 466.5345988 15.72 548.6549 460.4338 518.7503 493.3687 470.0790 532.7609 15.72_491.4127m/z 491.4126899 15.72 2628.1057 2406.8067 2427.5135 2434.3593 2427.4838 2430.5899 15.72_566.6236m/z 566.6236039 15.72 402.2739 318.2386 362.0061 410.0140 435.2685 385.5614 15.72_689.4504m/z 689.4504427 15.72 30144.0553 27256.7985 28199.7496 28437.1859 28420.4385 27785.5209 15.72_791.4777m/z 791.4776843 15.72 5152.1478 5275.6108 4797.9555 4965.6801 4684.0607 4707.1582 15.72_816.4973m/z 816.4972512 15.72 1408.8515 2527.7574 1399.7855 1442.1918 1495.8049 1403.3394 15.77_119.0199m/z 119.0198707 15.77 86.4514 53.3523 85.6105 72.0015 74.1952 80.6598 15.77_309.2282m/z 309.2281965 15.77 11551.2894 10274.9313 11368.4473 11203.2574 11707.7368 11431.4095 15.77_394.8383m/z 394.8382737 15.77 607.6200 436.3648 548.3872 552.3160 544.4043 469.1363 15.77_531.3856m/z 531.3856408 15.77 1689.5113 1448.9416 1601.5527 1645.7537 1585.9017 1620.1977 15.77_835.5697m/z 835.5696515 15.77 5699.4917 5351.5510 5317.9486 5216.4051 5301.7730 5009.2272 15.78_312.3625m/z 312.3624881 15.78 60.5518 119.8394 88.1482 110.8716 131.0076 157.2168 15.78_575.4112m/z 575.4111854 15.78 1758.4197 1383.2891 1564.9805 1582.3429 1643.5001 1599.6727 15.78_619.4355m/z 619.4355063 15.78 3505.2922 3218.3934 3174.2119 3182.7578 3038.8059 3037.2299 15.78_663.4576m/z 663.4576321 15.78 2506.1658 2416.9238 2390.6602 2358.9313 2420.9689 2381.7183 15.78_751.5020m/z 751.5020165 15.78 8336.8952 8525.2674 7983.5090 7947.3779 7848.5610 7770.5547 15.78_883.5869m/z 883.5868533 15.78 1973.5282 1911.3536 1738.3958 1710.9828 1779.9116 1611.4203 15.79_358.8767m/z 358.8767099 15.79 1933.6018 1462.1878 1619.5722 1475.9159 1414.1284 1486.8524 15.79_519.8270m/z 519.8270123 15.79 206.5762 90.3845 178.9052 140.3183 172.6063 137.9106 15.79_795.5342m/z 795.5342316 15.79 5923.4844 6157.7471 5107.9810 5204.5963 5401.4293 5110.4498 15.79_839.5588m/z 839.5587791 15.79 3140.7027 3477.0741 2649.4763 2780.8180 2820.5567 2709.7248 15.79_847.5269m/z 847.5269487 15.79 533.2932 446.5209 454.1240 392.5175 311.7536 403.0930 15.79_927.6167m/z 927.6167313 15.79 1051.4009 877.6433 796.8505 886.0344 924.3859 723.1840 15.79_971.6530m/z 971.6529796 15.79 799.2434 568.6229 788.7615 764.6610 689.3670 692.6717 15.80_428.4460m/z 428.4459529 15.80 427.8643 307.4429 397.8790 373.2658 356.4552 368.3459 15.80_575.2892m/z 575.2891516 15.80 4255.2088 4683.1065 4280.1027 4378.6218 4453.8449 4451.5942 15.81_248.2454m/z 248.2454243 15.81 45.4914 28.5707 43.2104 31.7551 40.0069 28.2396 15.82_282.2785m/z 282.2785237 15.82 9961.9942 7550.4334 9245.3031 9203.9130 9158.0252 9006.9088 15.82_399.2565m/z 399.2565477 15.82 7736.5413 21885.2041 9082.7694 9782.8722 12224.1146 12063.6178 15.82_406.2341n 429.177796 15.82 4374.5057 8848.0245 4846.1719 5190.7174 5914.9889 5900.6650 15.82_432.2407n 415.2373633 15.82 16164.7511 53150.9354 19664.9767 21592.2174 27223.5193 27314.7508 15.82_439.2058m/z 439.2057658 15.82 4879.7482 12884.3150 5418.0462 5823.9317 6974.5336 6990.3222 15.82_443.2026m/z 443.2026175 15.82 2165.4720 5755.4362 2506.6785 2835.4257 3280.3271 3276.4460 C25H32O8 Aurovertin B MEDIUM 15.82_503.2573m/z 503.2572806 15.82 9506.1649 10175.0436 9255.9739 9266.3319 9496.9813 9525.0490 15.82_524.1539n 525.161171 15.82 1640.5084 4402.7438 2198.7370 2365.9767 3035.5719 3098.0970 15.82_540.1748n 523.1715189 15.82 2344.7619 6151.6343 2786.0969 2862.2016 3750.0651 3718.2074 15.82_701.4090m/z 701.4089886 15.82 5065.7151 5234.5011 4669.7804 4655.8539 4875.5716 4637.2129 15.82_735.5108m/z 735.5108202 15.82 3924.4183 5569.9322 3724.0745 3839.8834 3910.0033 3908.0880 15.82_761.4597m/z 761.459673 15.82 2174.3187 5147.9512 2040.0081 2147.7624 2200.4035 2044.3272 15.82_775.4737m/z 775.4737317 15.82 709.8410 1709.2258 715.1717 760.6165 795.2049 854.3880 15.82_806.4721n 807.4821902 15.82 1975.8741 3858.4490 1881.0770 1737.1791 2150.8580 1988.5952 15.82_822.4563n 823.463575 15.82 3806.7146 5531.4235 3319.5184 3379.1839 3584.2138 3356.2683 15.82_879.5988m/z 879.5988231 15.82 1411.8146 1375.3603 1186.4433 1050.9306 1068.5829 867.9576 15.83_109.1021m/z 109.1021155 15.83 81.4118 223.4012 84.8536 82.4314 102.8825 103.2994 C8H14O 2-Octenal MEDIUM 15.83_123.1168m/z 123.1167686 15.83 75.4178 171.1508 80.2590 63.0989 104.0772 83.6516 C9H16O 2-Nonenal MEDIUM 15.83_310.8081m/z 310.8080574 15.83 475.3617 464.3144 529.0209 549.5176 556.5811 518.6041 15.83_363.2861m/z 363.2860902 15.83 36334.2216 30350.2684 33666.6232 34073.7394 33774.3659 33899.6996 15.83_426.2190m/z 426.2190128 15.83 6843.8552 6100.8269 6417.4590 6576.0754 6587.9016 6437.6315 15.83_509.2053m/z 509.2053365 15.83 1447.0685 2436.8514 1499.4610 1594.6252 1734.6513 1734.8919 15.83_513.1495m/z 513.149478 15.83 1306.7753 3031.6432 1671.7079 1855.2280 2330.4402 2248.6707 15.83_81.0705m/z 81.07049584 15.83 51.7073 115.0335 40.6228 53.5200 70.5245 65.9226 C6H10O 2-Hexenal HIGH 15.83_935.4816m/z 935.4815827 15.83 906.5077 619.1742 614.9541 503.8223 503.1974 652.6696 15.83_95.0863m/z 95.08634039 15.83 99.3458 257.0209 121.0733 136.8721 144.8137 144.0910 C7H12O 2-Heptenal MEDIUM 15.84_409.1168m/z 409.1168452 15.84 1418.5750 929.2413 1334.5714 1359.2842 1285.7174 1275.2032 15.85_325.2706m/z 325.2705879 15.85 4328.8390 3733.3895 4297.7739 4110.9657 4448.0294 4202.7262 15.85_351.2513m/z 351.2512548 15.85 41872.5271 37621.4680 39697.5859 40098.8658 40210.3978 40103.6161 15.87_562.5679m/z 562.5678609 15.87 514.1278 457.5320 475.8488 472.9402 444.7772 452.2590 15.87_741.3926m/z 741.392622 15.87 2919.0115 2590.9218 2698.2807 2632.7232 2536.9041 2568.1664 15.88_157.0850m/z 157.0850325 15.88 131.9739 96.3860 134.5779 183.6596 138.4351 164.1389 C8H14O4 Dimethyl adipate MEDIUM 15.88_375.3151m/z 375.3151146 15.88 4831.2259 4552.4563 4442.6051 4514.6200 4548.6275 4404.1001 15.88_413.3243m/z 413.3243311 15.88 37916.4132 31869.8860 33953.8691 34804.6646 34047.8903 34655.1195 15.89_457.3502m/z 457.3502172 15.89 23501.2383 19879.7588 21658.6545 21644.2000 21411.4657 21162.7373 15.89_499.1492m/z 499.1491989 15.89 4823.0836 4405.3034 4403.8501 4523.5061 4345.6484 4238.2752 15.89_714.5881m/z 714.5880533 15.89 2033.3919 1933.8809 1815.0280 1888.7987 1842.0966 1790.1799 15.90_501.3746m/z 501.3746287 15.90 9915.0015 8673.8016 9114.7593 9291.4133 9161.4160 9087.2913 15.91_176.9967m/z 176.9967263 15.91 252.5349 214.2751 244.2867 275.7442 279.3127 234.4212 15.91_305.1471m/z 305.1471226 15.91 891.4615 839.4159 850.9967 867.9061 802.6256 867.9005 15.92_442.4625m/z 442.4624553 15.92 388.0183 319.4019 344.4456 342.1034 325.4116 302.1059 15.93_245.2266m/z 245.2266108 15.93 377.6208 383.1470 457.1466 464.0958 443.4646 375.0640 15.93_263.2356m/z 263.2356102 15.93 827.0695 695.0896 804.4902 819.5909 729.6389 657.4204 15.93_335.2566m/z 335.2565706 15.93 43587.8522 37083.5101 41359.2131 41507.8180 41286.1516 41433.8476 15.94_494.5666m/z 494.5665577 15.94 4602.5079 3912.6439 4258.6358 4382.8861 4275.9361 4301.9313 15.96_369.2972m/z 369.2971835 15.96 38437.7379 33730.8799 35741.4921 37124.4246 35946.9970 36349.9656 15.96_554.3381m/z 554.3380737 15.96 16265.4481 14858.6669 15293.7704 15493.4710 15115.0440 15436.1810 15.96_554.8718m/z 554.8718462 15.96 662.6637 521.8099 646.9080 547.9479 650.9545 650.2971 15.96_613.3393m/z 613.3392878 15.96 256.7575 198.8929 232.2236 191.3599 225.4202 113.2073 15.96_888.6534m/z 888.6533591 15.96 1970.3322 1701.5892 1669.3182 1693.2822 1516.1162 1460.6018 15.96_893.6109m/z 893.6109368 15.96 12266.4778 10296.1993 10849.5266 11212.5179 10792.0706 10421.4548 15.97_311.1950m/z 311.1949515 15.97 9279.7080 8174.1407 8851.2744 8992.0873 9067.0393 9038.2404 C21H29NO2 Butorphanol 3242 MEDIUM 15.97_711.4047m/z 711.4047214 15.97 2754.1157 2265.9208 2420.0484 2450.0399 2391.5590 2373.2586 15.99_212.8773m/z 212.8773226 15.99 579.8112 439.1980 478.1095 503.9176 408.5596 467.7168 15.99_374.8591m/z 374.8591193 15.99 2747.3437 2115.4225 2395.6678 2397.7986 2332.8875 2345.8351 15.99_789.4785m/z 789.4785216 15.99 6978.0382 6692.7091 6289.2807 6236.1954 6261.8133 6329.8378 16.00_306.8112m/z 306.8112029 16.00 307.8054 311.9482 315.6074 282.7895 248.3259 281.4467 16.00_565.3449m/z 565.3449016 16.00 3547.6551 3025.9971 3284.4798 3417.3839 3330.7278 3329.2251 16.02_793.5452m/z 793.5452451 16.02 10281.0504 8901.1276 9140.1015 9251.9370 9103.6778 9232.1026 16.02_949.5659m/z 949.5659151 16.02 1793.1822 1309.7794 1566.6921 1487.5790 1222.5258 1368.3220 16.03_134.9220m/z 134.9219508 16.03 109.9165 74.8515 107.3010 66.7419 33.5217 89.8903 F3Mn Manganese trifluoride MEDIUM 16.03_275.2357m/z 275.235717 16.03 22.6610 28.9544 38.7905 52.1184 29.3089 12.8154 16.03_275.8473m/z 275.8473175 16.03 237.5846 187.6086 211.1967 204.3313 202.3611 189.4047 16.03_325.2710m/z 325.2710138 16.03 2197.8678 1685.0450 1936.2121 1887.1088 1912.5767 1936.8058 16.03_379.2814m/z 379.2813679 16.03 8019.1256 16375.8687 7758.5606 8197.4996 8454.5269 8782.7571 16.03_739.5217m/z 739.521684 16.03 3604.6974 2990.7773 3075.1678 3202.8045 3358.9471 3104.9021 16.05_271.8970m/z 271.8969555 16.05 3182.4090 2895.9051 3109.5406 3111.8698 3193.2182 3199.5933 16.05_337.2719m/z 337.2718569 16.05 18069.8617 15479.7126 17171.4216 17286.6427 17492.4058 17426.0130 16.05_508.5821m/z 508.5820856 16.05 676.2301 602.5140 612.8616 596.4961 678.0647 616.0802 16.06_143.9215m/z 143.9214848 16.06 139.3911 119.9835 128.1100 138.1921 135.8724 124.7212 16.06_504.8161m/z 504.8160981 16.06 500.0346 420.5941 375.6827 360.1897 414.5732 440.0633 16.06_523.8493m/z 523.8492931 16.06 135.6941 71.5391 98.8416 73.1565 101.8205 103.2088 16.06_525.8267n 526.8340256 16.06 421.4305 351.0929 255.2234 273.9895 315.0963 260.3520 16.06_941.6384m/z 941.6384308 16.06 3681.9297 2922.8906 3150.0581 3190.1017 2820.5356 2810.5328 16.06_985.6589m/z 985.6588689 16.06 1495.9355 1408.2558 1270.1923 1463.6408 1251.8213 1436.7126 16.07_545.3955m/z 545.3954768 16.07 3122.4165 2751.8288 2948.5821 2971.9808 2974.4307 2944.3032 16.07_589.4229m/z 589.422912 16.07 3020.7742 2649.5601 2817.7110 2839.6445 2879.5189 2825.6963 16.07_633.4525m/z 633.4524963 16.07 2227.4442 1837.5066 2065.0425 2021.4845 2137.1633 2048.6975 16.07_675.4347m/z 675.4347417 16.07 1609.3860 1432.4834 1497.5616 1503.9916 1515.5451 1476.8363 16.07_677.4789m/z 677.4789111 16.07 2791.0831 2403.5742 2626.1754 2619.7032 2644.4043 2624.8961 16.07_721.4966m/z 721.4965905 16.07 9413.7416 9390.9377 9265.2709 9633.0197 9654.0211 9491.0893 16.07_765.5092m/z 765.5091803 16.07 10559.6886 8956.5021 9531.0213 9622.9352 9586.5277 9124.7859 16.07_809.5287m/z 809.5287256 16.07 6816.5964 6583.8271 6367.0853 6335.2832 6106.3088 6105.4579 16.08_280.8688m/z 280.8687846 16.08 2770.0242 2387.1078 2642.6599 2795.2380 2696.6864 2792.8142 16.08_445.3588m/z 445.3587851 16.08 1712.1089 1394.8543 1414.8536 1649.8582 1591.1393 1559.9459 16.08_590.5991m/z 590.599145 16.08 727.7320 644.1717 691.2538 703.5216 679.4392 663.9898 16.08_617.5569m/z 617.5569011 16.08 651.8945 649.7901 560.6661 720.7574 530.1863 667.9749 16.08_640.5880m/z 640.5879853 16.08 8901.8075 7897.5741 8198.8323 8282.2183 8578.7909 8484.1400 16.09_391.2047m/z 391.2047395 16.09 900.7151 717.2557 845.4860 872.1402 940.6229 892.7890 16.09_610.5762m/z 610.5761845 16.09 1143.4191 995.9257 1009.8398 1078.3508 1062.3559 947.3132 16.09_742.6196m/z 742.6196229 16.09 4107.9403 3422.0894 3829.9525 3721.7876 3697.2862 3545.5323 16.10_371.1676m/z 371.167605 16.10 8676.3022 7666.5220 8026.4362 8120.8729 8115.4129 8226.1596 C19H25N5O4 Terazosin Terazosin 9445 MEDIUM 16.10_406.8379m/z 406.837914 16.10 4616.5318 3544.0723 4099.7530 3820.1264 3732.3066 3768.4969 16.11_344.2919n 367.276907 16.11 17365.9509 19692.7080 16547.0950 16943.2922 17215.6416 17173.5478 16.11_583.8958m/z 583.895828 16.11 831.6263 681.1411 719.0609 714.4803 742.3547 733.4751 16.11_663.5997m/z 663.5996916 16.11 5425.8212 4743.7084 4979.3790 4932.5699 4985.4237 4597.3280 16.12_343.0261m/z 343.0261496 16.12 614.1598 397.5477 491.3083 390.9113 506.2943 395.0774 16.12_385.2333m/z 385.2333016 16.12 48997.1819 42716.5862 46329.3124 46808.1971 46790.5021 46828.5064 C22H34O4 Diisoheptyl phthalate MEDIUM 16.13_176.9951m/z 176.9951491 16.13 435.1228 378.4463 485.1549 365.3528 440.3056 387.0916 16.13_178.9167m/z 178.9167228 16.13 142.0625 107.0411 130.4788 112.4421 120.7245 128.0877 16.13_610.1636n 633.1514511 16.13 3013.7984 2520.5947 2524.2748 2658.6694 2339.6285 2369.3938 16.13_977.7384m/z 977.7384112 16.13 8024.8669 7488.5164 7420.0331 7302.3009 7469.3515 7233.9299 16.14_258.1987n 259.2053138 16.14 911.8239 756.8366 760.8318 760.0268 777.8838 790.7874 16.14_313.2134m/z 313.2134093 16.14 16618.1508 13013.5227 14450.4361 14723.8159 14254.9921 14739.8882 C19H30O2 Dihydrotestosterone 5beta-Dihydrotestosterone 16330 MEDIUM 16.14_496.4611n 519.4501714 16.14 62748.7445 53963.6465 59652.9109 59900.2021 59794.3756 60301.7218 16.14_522.5978m/z 522.5978074 16.14 23349.1696 20328.5617 21875.4544 22090.7112 22082.1502 22365.5523 16.14_566.6243m/z 566.6242918 16.14 265.2436 243.4211 204.4224 196.7584 208.7204 217.5161 16.14_666.6067m/z 666.6067344 16.14 1473.1009 1149.9158 1341.5448 1275.4802 1273.1539 1142.4939 16.14_951.6486m/z 951.6485771 16.14 11088.4566 9557.8163 10229.9874 9325.8187 9586.2879 9328.5236 16.15_371.8647n 394.8358527 16.15 4464.2491 3484.8095 3992.0098 3830.6778 4058.4171 3938.9031 16.16_173.1330m/z 173.133028 16.16 190.2712 147.7190 136.8280 156.2948 164.1178 154.2797 16.16_264.2457n 265.2526866 16.16 1873.6014 1712.8275 1789.1400 1710.7785 1779.7046 1623.0183 16.16_358.8776m/z 358.8775704 16.16 1849.2199 1474.1728 1689.2699 1539.6898 1643.2025 1593.0657 16.16_508.5821m/z 508.5820524 16.16 613.2996 541.2849 557.1031 508.6949 574.7989 634.3923 16.17_337.2717m/z 337.2717196 16.17 27064.4899 22196.9357 25358.1553 25665.7129 25885.1467 25428.2824 16.17_654.6021m/z 654.6021057 16.17 1127.7124 891.1675 1036.7084 990.8248 981.3989 1035.3581 16.19_118.0788m/z 118.0787986 16.19 133.8233 131.2367 125.2603 138.5238 133.2302 143.0814 16.19_133.0656m/z 133.0656494 16.19 620.6039 528.1719 564.8327 582.4220 567.0123 584.7111 C9H10O2 Benzyl acetate 52051 HIGH 16.19_160.0883n 161.097027 16.19 5215.5052 4462.6864 4987.1563 4883.4429 4815.0690 4938.1846 16.19_177.0918m/z 177.091761 16.19 2738.4643 2329.9079 2429.9341 2462.8019 2505.2556 2514.6706 16.19_185.0547m/z 185.0547373 16.19 1100.6573 995.2536 1058.4849 1006.1084 981.0585 1004.5376 C12H11NO2 Carbaril Carbaryl 3390 MEDIUM 16.19_249.1849m/z 249.1848738 16.19 5642.1165 5113.5798 5298.4495 5425.1394 5320.0760 5543.2696 16.19_273.1507m/z 273.1507399 16.19 14584.8218 12540.3059 13732.0585 13846.3538 13934.5891 13788.7898 16.19_338.3420m/z 338.3420032 16.19 780.0462 689.2159 693.2740 679.3447 694.3090 635.3400 16.19_361.2357m/z 361.2356513 16.19 16261.3613 14316.0297 15832.4811 15765.2844 15988.8585 15958.6115 16.19_370.2889m/z 370.2889462 16.19 1787.6310 1653.6656 1766.9456 1715.8143 1682.7840 1710.5014 16.19_406.3288m/z 406.3288089 16.19 8494.4808 7291.6448 7947.7725 7946.9930 8082.3772 7950.3628 16.20_189.0517m/z 189.051655 16.20 393.9257 361.7519 365.5550 373.8965 366.5607 350.2641 C11H11NO3 o-(2-Propynyloxy)phenyl methylcarbamate MEDIUM 16.20_343.2680m/z 343.2680269 16.20 966.0854 809.9418 852.9005 854.2278 894.5418 777.0558 16.20_367.1698m/z 367.1698091 16.20 1106.5749 881.3278 1019.7734 882.9130 1005.4162 910.2947 16.20_374.2286m/z 374.2285575 16.20 7682.6604 6326.1502 6808.5693 7073.9983 6940.9924 6824.4059 16.20_450.1494n 451.118458 16.20 5127.9542 4389.0710 4682.9136 4822.4861 5062.0307 4656.1852 16.20_492.0867n 475.0833635 16.20 2128.3632 1812.8959 2043.4686 2012.9215 2121.1111 1971.9734 C22H20O13 Carmine red MEDIUM 16.20_501.1273m/z 501.1273421 16.20 926.0374 913.0806 966.2350 897.8339 897.6876 923.3011 16.20_509.1145m/z 509.1145024 16.20 1241.7503 1117.0308 1198.9000 1302.7603 1229.0771 1190.2069 16.20_718.4332n 701.4298918 16.20 9607.9820 9760.2535 8858.3809 9079.4619 8900.0000 9091.9644 16.20_727.4375n 711.4149649 16.20 8550.4649 7820.0456 7829.3529 7840.6840 8034.5715 7769.9435 16.20_747.3562m/z 747.3561575 16.20 501.4818 465.3894 540.9991 522.1890 572.6990 530.3868 16.20_786.4365n 787.4419655 16.20 3492.6733 3471.7024 3028.3451 3139.7442 3168.0391 3056.5083 16.20_851.6047m/z 851.6047454 16.20 12614.1582 11721.2445 11769.4093 11847.9574 11673.4631 11880.4154 16.20_944.5932n 962.6096528 16.20 6564.5154 5766.7027 5725.6713 5838.0175 5395.1433 5203.6692 16.20_987.6155m/z 987.6154839 16.20 2172.3346 1819.1267 2055.4744 1995.7146 1882.9090 2011.4021 16.21_271.2638m/z 271.2638225 16.21 424.8450 396.9287 378.0891 405.5151 372.9705 371.6432 16.21_277.2497m/z 277.2497036 16.21 576.1732 476.1228 493.7076 473.6444 470.3531 501.7078 16.21_279.2173m/z 279.2173297 16.21 12165.1345 10593.3380 11496.3130 12001.1314 11741.2104 11845.7503 16.21_311.1680m/z 311.1679605 16.21 6878.7089 6781.6320 7297.6043 7124.5643 7565.1326 7306.6949 16.21_312.1983n 295.1950493 16.21 70122.6775 60032.3975 67006.2273 67749.0851 67162.0328 67245.8009 16.21_318.2154n 319.1599622 16.21 29749.0539 25425.5052 28495.1475 28038.9264 28453.9177 27992.9632 16.21_321.1567m/z 321.1567374 16.21 16185.2394 13443.3802 15238.0267 15076.2099 15311.2337 14794.0293 16.21_328.2453n 311.242042 16.21 22734.8579 19127.3607 21029.1258 21509.4769 21000.8322 20888.8786 16.21_333.1696n 317.1470439 16.21 10065.1295 8533.9484 9420.7036 9434.7679 9593.5887 9437.2234 16.21_333.2386m/z 333.2385718 16.21 9363.4295 8038.9823 8925.1625 8815.4973 8839.4220 8754.8670 16.21_339.1769n 323.1542876 16.21 15422.8325 13189.7864 14842.6886 14620.6481 15051.9028 14640.2277 16.21_341.1802n 342.187516 16.21 30992.9263 29519.5508 29283.9387 29247.9677 29683.9489 29433.8209 16.21_345.2600m/z 345.2600183 16.21 857.7790 639.6859 717.7911 687.4215 676.0344 679.9508 16.21_354.1942m/z 354.1942283 16.21 14832.0302 12826.8788 14438.2029 14290.4732 14756.9924 14353.9140 16.21_376.2116n 360.189051 16.21 3412.8850 2835.4611 3268.3075 3101.3663 3343.2567 3131.5607 16.21_395.1210m/z 395.121013 16.21 398.6949 319.9156 321.5094 276.4072 299.1692 233.7664 16.21_435.2287m/z 435.2286893 16.21 8998.6447 8018.8255 8418.2488 8538.0366 8485.2393 8523.3044 16.21_439.1026m/z 439.1025964 16.21 2781.0607 2476.3270 2634.3891 2664.0834 2721.9146 2629.1641 16.21_441.0912m/z 441.0911712 16.21 867.7251 898.8540 846.1259 846.7143 933.1925 846.0777 16.21_449.1201m/z 449.1200745 16.21 4411.6916 3674.8431 4028.8476 4088.8464 3991.7763 4003.1825 16.21_449.2200m/z 449.2199777 16.21 14309.1169 12428.8672 12570.6776 12678.0291 12626.8278 12616.0174 16.21_453.1162m/z 453.1161703 16.21 1474.0237 1318.8548 1427.3507 1343.4075 1479.6233 1473.4311 16.21_454.1315n 477.2222607 16.21 5367.5955 4608.0693 5032.1214 5037.2166 5028.8179 4843.1557 16.21_461.2293m/z 461.2292576 16.21 32338.5347 33636.5008 31420.3266 31849.5975 32939.2790 32472.2848 C29H35NO5 Cytochalasin A MEDIUM 16.21_482.1733n 505.1402968 16.21 4040.4749 3595.5897 3848.9038 3755.7439 3838.1608 3671.3430 16.21_486.1819m/z 486.1818578 16.21 923.8110 775.4330 899.2394 854.7071 870.5653 804.9270 16.21_494.0854n 477.0821563 16.21 1911.4403 1765.3404 1812.6450 1748.5850 1739.2059 1532.4931 16.21_499.1216m/z 499.1215621 16.21 1841.5474 1699.6052 1823.4927 1751.9674 1787.1793 1725.3367 16.21_503.2233m/z 503.2233401 16.21 2998.0164 2764.5947 2974.0557 2891.6983 2900.4666 2942.4459 16.21_507.1094m/z 507.1093825 16.21 1137.6061 945.8718 1054.3411 1056.8312 1011.2690 909.0000 16.21_512.1326n 513.1399046 16.21 2454.2448 2380.6439 2383.1334 2444.2826 2456.9413 2644.6886 16.21_515.1419m/z 515.1419065 16.21 2352.5679 1897.5071 2289.4933 1968.1572 2146.6555 1848.2531 16.21_551.4354m/z 551.4354002 16.21 20715.8183 18010.2492 19750.0064 19135.0540 19441.0699 19415.0446 16.21_552.4505n 575.4005203 16.21 13422.5825 12101.9425 12832.8057 12519.4900 12551.2763 12460.0786 16.21_577.3992m/z 577.3991764 16.21 5972.0083 5956.2710 5774.4790 5697.9526 5708.4911 5780.6417 16.21_579.3999m/z 579.3998758 16.21 4341.2709 4097.1761 4385.4529 4197.2103 4369.5404 4249.1380 16.21_579.5342m/z 579.5341631 16.21 1729.0611 1601.0346 1862.4076 1790.0388 1711.8772 1757.0425 16.21_584.4854n 567.4821252 16.21 11888.0697 9917.4511 10719.1942 10815.2494 10731.8632 10813.7757 16.21_599.5062m/z 599.5062313 16.21 768.7141 560.0107 596.8501 584.5738 573.8358 580.7551 16.21_614.4462n 615.4042251 16.21 4384.4837 3656.6907 4050.1011 3892.4521 4120.6976 3960.4496 16.21_621.5863m/z 621.5862891 16.21 1202.3358 848.0150 976.4346 895.2776 941.9083 865.6521 16.21_634.3955n 635.4027826 16.21 6514.9194 5449.8817 5987.1214 5784.3661 6257.1160 5957.4986 16.21_637.4009m/z 637.400939 16.21 2125.0739 1804.5129 1972.1210 1919.8036 1974.4003 1921.9164 16.21_644.4362n 667.399923 16.21 5774.2550 4864.6093 5437.8729 5188.5606 5516.4313 5300.2536 16.21_658.4191n 641.4158317 16.21 3957.9631 3235.6899 3667.6508 3451.7958 3714.4023 3551.0836 16.21_659.3646m/z 659.3646382 16.21 6365.8670 5650.3354 5913.7252 6094.6104 6004.0472 6012.2351 16.21_661.3860m/z 661.3859836 16.21 11759.1860 10508.7215 10730.3451 10837.9165 10976.8667 10728.2164 16.21_663.3549m/z 663.3549276 16.21 1960.5868 1642.9788 1913.0717 1825.4648 1997.7711 1883.8198 16.21_671.4579m/z 671.457864 16.21 11649.2834 11208.6700 10993.5013 11082.6536 11334.8869 11134.1820 16.21_675.4226m/z 675.4225886 16.21 2700.9974 2405.0640 2569.3415 2548.6850 2639.7745 2577.9905 16.21_681.4331n 665.4105464 16.21 5955.3321 5015.2112 5469.4002 5229.7885 5649.9497 5345.3751 16.21_703.4219m/z 703.4219299 16.21 1429.4003 1279.3518 1425.9576 1418.1522 1366.7101 1325.6228 16.21_716.3930n 717.4003247 16.21 5182.0267 4430.5974 4698.5037 4332.1855 4992.5395 4524.0744 16.21_719.3909m/z 719.3909446 16.21 4904.8911 4304.9280 4779.1695 4413.7316 4796.4247 4654.2783 16.21_729.4299m/z 729.4299419 16.21 6077.6460 6081.0695 5516.3499 5554.9306 5845.7899 5382.7158 16.21_731.4233n 715.4007681 16.21 8068.3651 7450.8824 7521.9626 7298.0218 7645.0205 7159.2334 16.21_742.4657n 743.4267089 16.21 5567.6183 6255.0936 5367.3301 5242.4925 5605.8982 5128.2732 16.21_747.4846m/z 747.484612 16.21 10246.6098 9064.3200 9414.2442 9568.1552 9493.8900 9497.8811 16.21_759.4350m/z 759.4350287 16.21 1910.4924 1658.2096 1621.0263 1684.2826 1595.6952 1688.9058 16.21_772.4263n 755.423009 16.21 3746.6935 3244.2730 3378.8591 3325.6124 3450.0680 3504.3406 16.21_797.4502m/z 797.4502207 16.21 2388.4957 2001.6728 2191.4064 1885.2766 2247.3983 1854.8120 16.21_814.4215m/z 814.4214797 16.21 293.9588 361.2690 293.3134 269.2576 381.3606 298.8103 16.21_819.5193m/z 819.5193428 16.21 6188.3912 5431.3851 5589.6428 5544.1762 5419.9278 5322.4133 16.21_844.5721n 845.5794115 16.21 5635.8420 4944.7707 5271.6556 4850.4625 4861.7474 5032.3486 16.21_869.5868m/z 869.5868374 16.21 5884.5818 5195.5050 5377.6525 5103.4349 5252.5685 5260.4218 16.21_874.5572n 875.5644684 16.21 13070.8692 10542.1887 11448.5053 11111.5949 11267.5718 11357.8297 16.21_885.6049m/z 885.6048704 16.21 6461.3833 5502.9671 5893.5337 5683.6736 5477.5980 5748.3489 16.21_906.6466m/z 906.6465807 16.21 7274.5917 6818.8435 6422.4439 6906.1669 6534.3997 6325.2338 16.21_913.6136m/z 913.6136133 16.21 781.8814 562.7787 686.5278 771.1558 741.2913 648.1919 16.21_914.5947n 937.5839301 16.21 4416.7249 3955.1059 4111.4273 4064.9385 4190.3707 4049.3217 16.21_918.5745n 919.593791 16.21 10840.1359 8606.5780 9563.4321 8899.1242 8978.4871 8736.9751 16.21_929.5891m/z 929.5891168 16.21 6218.6412 5176.3196 5404.4692 5184.8640 5359.6260 5095.6249 16.21_942.5980n 925.5946786 16.21 2509.6437 2183.0576 2184.7488 2181.5832 2285.2447 2142.7520 16.21_969.6352m/z 969.6351854 16.21 5561.0122 4722.8160 4828.1581 4613.9333 4889.4619 4294.5936 16.21_972.6184n 973.6256935 16.21 1024.7726 1076.1273 1130.5117 978.0197 1094.2136 957.3530 16.21_974.6136n 975.6766041 16.21 4325.8751 3701.0053 3887.2210 3528.1295 3758.6785 3339.1455 16.21_981.6305m/z 981.630505 16.21 1210.7500 1030.7138 1072.8791 1143.9158 1096.3401 1089.7929 16.23_405.1773m/z 405.1772641 16.23 2948.0367 2471.5915 2818.5833 2734.6590 2896.7638 2791.2141 16.23_548.6127m/z 548.6126679 16.23 211.6273 207.0599 239.0925 184.9605 170.6879 215.0301 16.24_199.1700m/z 199.1700403 16.24 235.9871 197.6044 225.9035 205.6647 218.0826 193.4916 16.24_200.4353m/z 200.4353435 16.24 99.2233 89.3845 103.5977 92.7546 84.8994 89.2930 16.24_283.2874n 306.2715673 16.24 19628.7820 16148.5653 18383.4578 18199.3111 18441.3436 17975.6115 16.24_314.8002m/z 314.8001925 16.24 255.2000 237.7242 250.9491 276.4996 259.8653 241.1179 16.24_536.6127m/z 536.6126941 16.24 1315.2318 1154.4036 1191.6531 1178.7550 1191.4793 1241.1685 16.24_630.5922m/z 630.5922243 16.24 791.7522 543.3560 628.3950 615.0998 710.9972 570.5978 16.25_612.9093m/z 612.9092857 16.25 699.9598 593.5650 654.8527 640.0514 639.7236 662.1765 16.26_133.0302m/z 133.0302062 16.26 112.5273 95.5547 112.9604 102.7713 120.5751 102.8266 16.26_558.7835m/z 558.7835238 16.26 189.2837 112.0042 176.0496 196.1582 134.6172 86.7958 16.26_668.6188m/z 668.6188158 16.26 14217.7370 12245.6166 13384.6695 13209.2227 13406.7993 13192.8143 16.27_160.1234m/z 160.1234135 16.27 184.2534 182.6896 181.3478 165.5049 175.9559 174.0834 16.27_638.6081m/z 638.6080717 16.27 3116.3045 2748.4019 2901.0968 2929.5523 3062.6279 2978.9249 16.28_121.0048m/z 121.0047762 16.28 507.4871 389.6010 382.4442 482.0786 393.8237 420.6423 C2H8AlNO4 Dihydroxyaluminium MEDIUM 16.28_246.8267m/z 246.8266734 16.28 100.1406 94.5296 100.4051 117.5357 90.4558 63.4297 16.28_365.2669m/z 365.2668801 16.28 17319.1981 15225.6326 16621.6415 16787.7259 16488.3719 16773.9022 16.28_376.2044n 399.2479539 16.28 16866.2019 13809.8048 15989.2229 15444.2255 15796.1363 15466.8736 16.28_523.3523m/z 523.3523259 16.28 2629.3706 2250.6054 2474.0662 2368.0171 2436.1001 2400.8013 16.29_513.8529m/z 513.8529432 16.29 161.1189 132.1225 173.8294 214.6211 160.9661 161.2328 16.30_511.8356m/z 511.8355992 16.30 151.1328 117.8985 113.0748 129.7849 196.4795 167.2619 16.30_532.8656n 516.8430479 16.30 438.0140 355.7177 426.3385 419.3169 544.7777 454.1017 16.31_383.9687m/z 383.9687143 16.31 190.7754 133.1729 160.3492 135.7844 183.4464 136.3194 16.31_694.6316m/z 694.6315803 16.31 913.5091 838.4999 901.7785 928.5468 872.5243 875.7424 16.31_847.5467m/z 847.5466768 16.31 6706.9955 5805.5479 5946.4594 6122.2373 5888.1336 5989.3480 16.31_867.5952m/z 867.5951947 16.31 6764.6217 7521.1504 6101.8142 6312.4458 6588.2336 6211.1471 16.31_955.6502m/z 955.650237 16.31 2075.5829 2002.1208 2114.3736 1895.8637 2023.6358 1702.5886 16.32_323.2904m/z 323.2904232 16.32 11257.8446 8177.8076 9820.1140 9931.9963 9394.2300 9525.1191 16.32_503.3916m/z 503.391587 16.32 3193.1374 2685.8391 2783.7429 2831.9179 2907.1538 2798.3672 16.32_550.6297m/z 550.6297177 16.32 84373.8109 71542.3203 80221.1074 80828.6984 80542.3184 80618.0854 16.32_823.5656m/z 823.5656451 16.32 29388.0224 28561.5303 27291.5061 26425.0163 27434.6291 26619.6233 16.33_176.9907m/z 176.9906606 16.33 591.6463 486.7732 561.0279 529.9310 548.2439 523.3602 16.33_647.4712m/z 647.4711712 16.33 2905.1730 2660.7532 2709.6994 2776.6382 2800.7693 2774.3867 16.33_691.4793m/z 691.4793152 16.33 4580.6140 4553.6597 4343.7298 4322.0838 4482.7396 4296.5903 16.33_735.5065m/z 735.5065081 16.33 6127.8763 6059.0750 5742.7081 5588.7197 5881.5570 5576.9901 16.34_316.2381n 339.2263992 16.34 4234.9955 3335.4484 3915.4074 3939.3411 3873.4114 3989.7694 16.34_483.1328m/z 483.1328262 16.34 2260.3741 1536.3971 2213.9134 2011.9166 2059.5713 1997.5717 16.34_515.3820m/z 515.3820209 16.34 3205.8938 2865.0773 2961.6030 3076.2269 2998.2699 3032.5724 16.34_536.6135m/z 536.6135276 16.34 940.6536 742.0524 832.2209 828.5701 784.7032 807.6888 16.34_559.4122m/z 559.4122309 16.34 2477.9650 2870.9248 2411.8175 2445.9957 2539.8708 2398.9505 16.34_603.4367m/z 603.4367276 16.34 2289.3482 2197.3508 2122.5725 2187.1491 2190.0233 2161.4383 16.34_682.6330m/z 682.6330093 16.34 1228.6053 969.7991 1129.8897 1135.7602 1146.5556 1099.4855 16.35_310.3107m/z 310.310734 16.35 934.4165 743.8150 838.8290 831.7324 871.3789 799.2259 16.35_332.2920m/z 332.2920345 16.35 5339.2409 3706.0207 4698.3563 4669.4707 4578.4809 4550.8447 16.35_475.4083m/z 475.4083172 16.35 902.2697 549.1829 789.5403 740.8995 779.6377 745.1282 16.35_904.6804m/z 904.6803649 16.35 13798.5427 12156.9330 12235.2541 12342.3691 11944.3792 12027.8739 16.36_110.9269m/z 110.9269116 16.36 327.2537 230.1471 279.8336 285.9123 274.1504 257.7620 16.36_641.9341m/z 641.9340909 16.36 462.9131 426.2464 486.8928 488.8944 530.0252 495.4649 16.36_679.4501m/z 679.4500611 16.36 16862.8664 16616.5593 16126.3223 16191.1625 16623.8603 16182.4839 16.36_909.6503m/z 909.6503408 16.36 17772.9167 17145.3311 16255.5523 16234.6635 16316.8602 15821.5707 16.37_109.1021m/z 109.1020873 16.37 42.7273 161.7022 96.3564 52.2646 101.1682 94.5349 C8H14O 2-Octenal HIGH 16.37_378.2915m/z 378.2914899 16.37 25624.4815 37551.3266 24570.3532 25163.6618 26875.5438 26368.4850 16.37_386.3112n 370.2886016 16.37 8697.9039 11077.8625 8260.2333 8246.3122 8657.9477 8472.8683 16.37_420.2749n 443.268288 16.37 18368.2689 50070.4203 21900.1532 23762.5525 29803.1210 28001.5152 16.37_444.2914n 467.2385969 16.37 19090.0544 40188.4500 21268.6812 22270.6657 27090.5708 25247.8763 16.37_457.2081m/z 457.2080511 16.37 3300.5656 6714.9948 3815.3894 3955.3085 4840.1755 4564.1566 16.37_471.2319m/z 471.2318627 16.37 2500.6410 6502.2287 3016.5100 3275.2982 3997.0157 3683.6184 16.37_511.3058m/z 511.305754 16.37 5492.2538 5363.9775 5311.0140 5212.0950 5527.1667 5330.0374 16.37_531.2803m/z 531.2802532 16.37 3368.0169 4833.5109 3437.0652 3431.2305 3881.2967 3675.0131 16.37_542.1919m/z 542.1918638 16.37 1992.1718 3138.0550 2328.3841 2253.0945 2773.0711 2514.0021 16.37_550.1807n 573.1495277 16.37 5608.0130 8580.7006 5697.1311 5725.2964 6472.2106 6110.0656 16.37_551.2854m/z 551.2853604 16.37 2009.0756 3598.0976 1930.9869 2199.8702 2335.9230 2325.9767 16.37_566.1535m/z 566.1535009 16.37 633.6619 1529.9883 905.0727 835.4458 1110.3992 1118.2281 16.37_570.1989n 553.1956531 16.37 1354.4240 3324.7211 1651.4775 1830.9838 2398.6778 2196.3627 16.37_641.4303m/z 641.4303451 16.37 5349.5760 4815.2367 4980.4768 5302.6870 4997.3203 4980.1131 16.37_653.4880m/z 653.4879857 16.37 1733.7229 3048.7960 2000.0488 2126.1433 2398.8981 2324.0114 16.37_654.5235n 677.468219 16.37 3082.8085 4782.4135 3327.6625 3392.5482 4012.0831 3704.8506 16.37_763.4887m/z 763.4887103 16.37 6262.2690 7293.8762 6206.8096 6141.8475 6337.0367 6333.3429 16.37_773.5374m/z 773.5373609 16.37 5892.3417 9326.9083 5849.5195 5775.9867 6205.7691 6210.9774 16.37_799.5458m/z 799.545788 16.37 1455.7392 2239.8271 1381.2606 1350.9098 1565.7134 1355.8558 16.37_815.5013m/z 815.5013003 16.37 4162.0625 7795.1985 4345.7541 4348.1361 4526.7471 4277.5120 16.37_828.5341n 811.5308474 16.37 1731.9881 4227.4840 1565.1583 1714.3159 2042.8176 1981.6451 16.37_95.0863m/z 95.08627207 16.37 82.4476 240.8470 112.3905 105.8380 133.2021 132.4943 C7H12O 2-Heptenal MEDIUM 16.40_875.5721m/z 875.5721451 16.40 7563.9077 7279.2294 7103.6806 6935.1733 7285.1687 6940.8927 16.41_443.1987m/z 443.1987344 16.41 1620.7065 824.2367 1425.8219 1321.4897 1237.0014 1220.0451 16.41_696.6500m/z 696.650042 16.41 9201.7572 7807.2515 8463.0527 8298.9348 8487.7952 8492.5136 16.42_503.3518m/z 503.3517818 16.42 7663.5916 7203.8189 7155.7443 7406.3111 7342.0776 7450.3676 16.43_461.3603m/z 461.3603458 16.43 1013.5575 704.2893 988.9398 814.8086 986.6188 854.8441 16.43_545.8570m/z 545.8570051 16.43 982.4941 890.0283 865.6660 798.6774 818.0757 792.1307 16.43_666.6357m/z 666.6356854 16.43 2829.5246 2445.6006 2735.2467 2667.3729 2622.9808 2717.0025 16.46_511.3462m/z 511.3461593 16.46 4785.2231 4255.5650 4505.8721 4306.2427 4620.7159 4375.6255 16.46_624.5801n 647.5640775 16.46 55983.1673 48449.5404 52741.0050 52716.3270 53326.9502 51965.1464 16.47_684.1804n 707.1696036 16.47 3755.4911 3023.4303 3146.6961 3001.3866 2943.2024 2885.6265 16.47_700.6108n 723.6000316 16.47 64630.6631 55650.7148 61218.9527 60922.2215 61452.0430 60214.4002 16.48_309.2088m/z 309.2087944 16.48 13513.5606 11164.0017 12790.6798 12691.0155 12922.4177 12554.5152 16.48_578.6601m/z 578.6600546 16.48 1976.4322 1701.7158 1850.6711 1834.0089 1832.9490 1836.0299 16.49_417.3674m/z 417.3674497 16.49 3236.3242 2497.8305 2724.1286 2774.6922 2881.5349 2713.5562 16.49_451.2152m/z 451.2151702 16.49 8513.6335 7351.6184 7837.8939 7840.0589 8030.5957 7688.7358 16.49_667.9757m/z 667.9756689 16.49 97.9575 92.1014 121.6473 94.7133 139.4330 118.3091 16.49_672.4490m/z 672.4490428 16.49 2348.6387 2009.4715 2215.2106 2016.4358 2195.2231 2080.3560 16.49_680.6422n 703.6312859 16.49 12490.4403 10706.8694 11839.2641 11525.8894 11834.1265 11289.7255 16.50_269.0337m/z 269.0337027 16.50 140.7417 118.6771 120.1934 48.9111 79.0820 77.8022 16.50_670.9559m/z 670.9558577 16.50 451.2934 388.7447 416.0103 448.4254 464.5478 478.9533 16.50_962.7248m/z 962.72479 16.50 4357.8373 3692.4739 3677.6024 3679.8798 3680.0790 3313.7416 16.51_240.9235m/z 240.9234976 16.51 165.3950 251.8826 204.8730 277.3276 175.7477 288.2845 16.51_547.4388m/z 547.4388188 16.51 2203.0678 1867.1855 2055.0491 1987.7831 2150.7541 2128.5560 16.51_584.8809m/z 584.8808639 16.51 139.5573 119.2873 141.1394 119.1133 166.2404 138.7275 16.51_675.5081m/z 675.5081163 16.51 4061.1033 3459.6422 3770.8648 3663.7298 3778.1354 3666.5366 16.52_347.2900m/z 347.2899926 16.52 2195.3271 1746.0987 1983.1387 1959.8953 2050.9126 1973.4237 16.52_391.2265m/z 391.2264938 16.52 1364.7928 1228.0192 1537.0012 1196.5549 1607.8358 1467.1579 16.52_414.8646m/z 414.864557 16.52 992.5948 723.4927 790.8511 810.6621 762.1372 780.2974 16.52_515.8479m/z 515.8478979 16.52 93.6506 92.4767 55.9712 36.0566 64.7635 132.2587 16.52_536.8581n 559.8579058 16.52 412.3366 444.6128 346.2533 387.3974 520.7744 415.8099 16.52_539.8454n 562.8578391 16.52 418.2833 381.2014 378.9540 440.7368 424.6671 426.9752 16.53_423.8355n 407.8516045 16.53 3820.6010 2980.1937 3545.2469 3254.0688 3332.6639 3218.9676 16.55_337.3340n 360.3230232 16.55 8187.9500 6989.6918 7595.0458 7651.0460 7915.3206 7764.1787 16.55_472.9804m/z 472.9804373 16.55 249.2237 162.1451 207.4738 120.8646 181.0021 87.2714 16.55_608.8696m/z 608.8696256 16.55 289.0194 241.6090 217.2980 302.1996 291.4425 225.1120 16.55_881.6144m/z 881.6144417 16.55 4815.6458 4067.8212 4342.4111 4361.6970 4522.0250 3956.9882 16.56_571.9046m/z 571.9046458 16.56 224.3743 166.7895 244.7978 229.5573 201.8087 160.4165 16.56_574.8859m/z 574.8859106 16.56 697.9069 613.8905 650.9028 722.1045 667.2927 672.7942 16.56_750.5924m/z 750.5923523 16.56 3661.7287 2999.5971 3448.4489 3381.9470 3464.4633 3311.9032 16.56_89.0186m/z 89.01858175 16.56 73.2249 64.1333 73.9272 74.3081 75.2694 73.6834 16.57_100.1127m/z 100.1127249 16.57 1105.0750 973.9471 1066.4532 1099.9771 1053.4626 1080.3018 16.57_753.5087m/z 753.5087023 16.57 2428.2128 2165.1538 2178.9730 2186.1426 2078.4634 2040.5988 16.58_113.1331m/z 113.1330782 16.58 435.0557 346.7192 446.7354 396.1086 412.4853 362.9293 C8H16 "2,4,4,-Trimethyl-1-pentene" MEDIUM 16.58_121.0310m/z 121.0309537 16.58 1288.4493 1095.0200 1215.5566 1167.6141 1253.3960 1187.2864 16.58_133.0292m/z 133.0291627 16.58 883.8094 730.4394 776.4230 791.2136 786.3837 797.1356 C5H11NO2S L-Methionine Methionine 16643 MEDIUM 16.58_135.0436m/z 135.0436455 16.58 1567.2056 1366.9561 1431.5600 1445.3374 1420.6192 1428.5497 C8H8O3 Methyl 2-hydroxybenzoate 31832 HIGH 16.58_163.0396m/z 163.0395712 16.58 31734.7733 27152.1081 29687.8685 30001.5709 29633.2246 29467.2900 C9H8O4 Monomethyl phthalate 491486 HIGH 16.58_166.0275n 149.0242077 16.58 18445.3969 16046.9070 17486.5208 17562.5179 17290.2920 17364.4158 16.58_258.9427m/z 258.9427037 16.58 268.3947 212.1896 259.4154 220.8715 232.8498 195.6005 16.58_391.2861m/z 391.2860589 16.58 19772.8561 16656.9837 18186.9285 18715.3796 18107.5101 18062.1579 16.58_413.4336m/z 413.4336095 16.58 36825.8768 31941.4036 34558.0059 35416.0329 34891.2250 34030.2204 16.58_413.4859m/z 413.4858646 16.58 9415.8388 7657.8282 8552.9230 8296.5545 8279.3786 7912.7790 16.58_413.5435m/z 413.5435115 16.58 7906.6101 5062.2619 6602.0011 5668.7073 6101.8552 5835.1774 16.58_413.7690m/z 413.7690328 16.58 1326.4184 1100.8168 1178.5366 1101.1530 1165.2205 1102.7371 16.58_413.8275m/z 413.8274861 16.58 5191.7136 4455.7295 5049.2720 4992.1678 5080.8649 4974.9495 16.58_429.2448m/z 429.244756 16.58 6896.5011 6004.2308 6522.2995 6574.7767 6486.1565 6479.0887 16.58_476.2632n 499.2057019 16.58 17906.4996 15462.4331 16898.6681 16746.0368 16851.0835 16556.6126 16.58_491.2038m/z 491.2038204 16.58 1049.8678 849.4017 1036.2712 953.5500 1076.7382 983.6195 16.58_492.2427n 475.2393895 16.58 31445.6459 27247.9143 29294.4824 29177.0265 29436.9401 28893.9785 16.58_495.2077m/z 495.2077303 16.58 4626.3185 3906.0422 4196.8551 4421.2771 4120.5009 4302.8595 16.58_501.2025m/z 501.2024744 16.58 5048.5487 4278.8743 4760.7113 4759.6596 4673.3639 4650.3407 16.58_503.2021m/z 503.2021335 16.58 3428.4529 3077.4029 3272.6730 3366.4655 3317.7323 3255.1385 16.58_522.2297m/z 522.2296793 16.58 1804.5004 1596.0898 1740.6438 1840.6389 1657.8147 1644.1687 16.58_57.0706m/z 57.07062604 16.58 100.0404 84.3384 88.0719 89.6438 92.6943 73.9642 16.58_597.8954m/z 597.8953505 16.58 461.3608 428.7412 427.6568 337.9778 446.8568 394.1909 16.58_605.8834m/z 605.8833628 16.58 554.9821 443.7389 524.4053 541.1016 528.8537 510.6259 16.58_612.2467n 635.366376 16.58 4888.1647 4206.7501 4609.8106 4628.3506 4573.5397 4602.0992 16.58_615.2709m/z 615.2709002 16.58 3160.0058 2617.7927 2771.7741 2760.3212 2752.7185 2662.3503 16.58_629.1649m/z 629.1649119 16.58 1503.4706 1402.5261 1451.8204 1353.0741 1343.2342 1231.7228 16.58_633.1576m/z 633.1576323 16.58 746.8299 603.0932 564.2708 545.7377 607.4179 573.8959 16.58_641.2707m/z 641.2707374 16.58 4709.4354 4025.0750 4412.7830 4349.3325 4409.2149 4298.1841 16.58_648.1635n 631.1602307 16.58 887.2444 831.1150 971.8038 899.1183 827.7752 778.1958 16.58_71.0864m/z 71.08643341 16.58 878.3910 768.7379 814.8258 829.4578 817.7988 821.5854 16.58_803.5432m/z 803.5431603 16.58 275948.2571 242294.0703 261069.9756 268824.0864 260124.1776 257958.5195 16.58_88.0767m/z 88.07666657 16.58 205.7738 177.5087 176.9874 178.9111 188.3956 197.5153 C4H11NO2 Diethanolamine Diethanolamine 28123 MEDIUM 16.58_883.5931m/z 883.5931352 16.58 1724.1497 1311.0374 1425.6496 1538.7280 1281.3369 1323.1206 16.59_699.4784m/z 699.478365 16.59 4412.6198 4089.7992 4250.1234 4446.3075 4311.7002 4301.1174 16.59_699.9762m/z 699.976211 16.59 451.8796 430.9487 439.5289 413.5142 428.1343 431.7082 16.60_312.3627m/z 312.3627056 16.60 242.5943 199.8690 201.9329 202.3849 220.1825 175.2244 16.60_783.5740m/z 783.5740283 16.60 86156.4393 79113.9726 81033.0448 81527.4247 80501.1725 80371.5236 16.61_111.0445m/z 111.0445485 16.61 350.3630 281.2421 345.1437 317.5234 340.4528 283.3308 C6H6O2 Hydroquinone Hydroquinone 17594 MEDIUM 16.61_146.0583n 147.0656975 16.61 3250.1877 2839.0753 3125.0012 3178.3423 3111.6834 3047.2664 16.61_258.1825n 259.1899708 16.61 4129.9914 3398.2656 3878.1372 3821.7141 3801.2341 3619.0804 16.61_370.3042n 393.2981292 16.61 669648.5884 584440.2968 644715.8273 655037.5466 650377.2636 657305.8598 16.61_393.4608m/z 393.460766 16.61 11612.0078 9918.9972 10849.2409 10964.3098 10950.0925 10581.9580 16.61_393.5121m/z 393.5120856 16.61 2241.8358 1899.8712 2033.1783 2054.5377 2005.8849 2024.8097 16.61_416.3721m/z 416.3721334 16.61 260.1415 241.6959 174.1766 227.0481 183.1634 204.3875 16.61_455.3103n 439.2877677 16.61 6703.2829 5924.5745 6168.6972 6421.9631 6215.4068 6112.5591 16.61_479.2374m/z 479.237406 16.61 3377.1186 2860.0538 3226.7404 3078.3074 3198.8195 3223.1837 16.61_481.2426m/z 481.2425592 16.61 2682.8533 2652.9497 2552.1288 2497.6011 2655.0442 2663.0390 16.61_609.1929m/z 609.192928 16.61 402.2643 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1601.5001 1370.1922 1417.2372 1509.2448 1488.2304 1439.6835 16.87_933.6398m/z 933.6397992 16.87 26385.1071 22851.2983 24006.3227 23298.2208 24111.4263 21731.0540 16.87_987.6978m/z 987.6978358 16.87 21439.3087 18728.8859 19968.0483 19352.1880 19790.1124 18714.0931 16.88_130.9271m/z 130.927109 16.88 107.5681 91.6463 94.5524 81.9200 97.3109 93.0653 16.88_660.9435n 661.9507971 16.88 1180.2698 987.8511 1041.5578 1016.9359 1024.8077 1083.5621 16.88_793.5261m/z 793.5260705 16.88 31422.1343 28607.5195 29439.7418 28459.1322 29625.0360 28309.7262 16.88_96.9390m/z 96.93897435 16.88 72.3573 62.2397 75.9087 34.5912 60.4492 65.5431 16.88_993.9014m/z 993.901394 16.88 8240.7363 7166.7633 7448.0223 7800.2623 7701.2465 7458.2363 16.89_318.9217m/z 318.9217364 16.89 900.4528 926.2426 962.7114 852.1688 892.1913 854.7221 16.89_620.4218m/z 620.4217913 16.89 2625.5678 2285.1233 2447.5494 2456.9547 2527.4722 2466.3111 16.89_642.9241m/z 642.9240862 16.89 238.8409 179.6014 224.3416 167.6841 228.3090 237.6765 16.89_926.7920m/z 926.7919611 16.89 26258.9637 22914.4614 24208.4140 23010.6714 24085.9279 22793.5193 16.90_598.8955m/z 598.8955458 16.90 480.9520 387.1894 383.3063 430.6260 372.1040 366.2821 16.90_620.8977m/z 620.8977209 16.90 490.1643 479.0476 471.3050 464.9186 549.7154 383.3888 16.91_421.3300m/z 421.3300411 16.91 39998.5938 34670.9456 37656.6461 37674.4910 37879.9460 37122.2716 16.91_576.8662m/z 576.8662262 16.91 1277.2617 1148.6974 1212.9195 1153.1334 1084.2222 1014.0514 16.91_618.8539m/z 618.8539356 16.91 304.3545 194.6550 210.9304 180.9175 213.4778 250.9365 16.91_995.9185m/z 995.9185322 16.91 28370.6048 24501.6714 26321.4130 26115.8660 26134.3958 25869.0681 16.92_532.8564m/z 532.8563573 16.92 242.2171 196.4070 239.6448 269.2245 211.7424 182.6139 16.92_554.8695m/z 554.8694785 16.92 444.6299 328.5165 286.9017 347.0193 337.0291 377.6412 16.92_811.6010m/z 811.6009749 16.92 10704.1211 9398.0500 9752.2350 9836.3153 9638.2329 9521.5723 16.92_85.1018m/z 85.10178015 16.92 1185.9425 1033.8843 1118.1925 1133.4998 1076.0950 1066.0280 C6H14O 1-Hexanol 113441 MEDIUM 16.92_906.8386m/z 906.8385649 16.92 4646.6013 4004.4604 4297.5962 4183.3722 4277.1421 4254.6968 16.94_419.3133m/z 419.3133476 16.94 31548.2144 27349.8306 29868.6103 29614.5863 29723.6212 29352.3689 16.94_529.2498m/z 529.2497909 16.94 3617.2273 3195.4330 3546.8220 3409.1063 3471.3718 3390.5586 16.95_127.1486m/z 127.1485774 16.95 666.9749 553.5571 615.8697 563.6577 586.2585 570.9327 16.95_520.2725n 503.269231 16.95 13742.9279 12034.1925 13131.3958 12813.5634 13178.9928 12865.8267 16.95_608.9404m/z 608.9403536 16.95 1183.0068 1057.6430 1187.5786 1187.3568 1165.0483 1214.9059 16.95_639.0416m/z 639.0416058 16.95 1179.1043 1087.6933 1091.4627 1124.6561 1176.5243 1102.9934 16.95_721.7754m/z 721.7753678 16.95 776.7890 548.8841 769.1998 732.5425 767.2126 554.0252 16.95_760.8616m/z 760.861564 16.95 1008.5029 774.7771 759.5001 814.3286 858.4038 802.0344 16.96_441.4693m/z 441.4692629 16.96 5843.9200 5098.1622 5376.8342 5262.6204 5378.1066 4879.6078 16.96_611.4220m/z 611.422014 16.96 3456.0264 3191.8280 3308.7149 3307.1153 3630.6761 3659.4904 16.96_611.9237m/z 611.9237074 16.96 2187.7906 1965.2781 2073.4932 2172.6854 2181.7473 2158.3383 16.96_815.5611m/z 815.5611237 16.96 3484.3852 3012.4314 3227.3518 3251.8122 3238.0218 3203.2345 16.96_816.0527m/z 816.0526709 16.96 1217.8623 1042.3633 997.0015 1046.4415 1045.3027 1038.3085 16.96_859.5976m/z 859.597631 16.96 74616.9527 65998.9342 69029.9908 69040.8092 69249.0313 67232.3850 16.96_909.6584m/z 909.658394 16.96 5319.1350 4693.1392 5246.8255 5030.6413 5084.4329 4918.8911 16.97_319.2599m/z 319.2598914 16.97 5694.4131 4715.2087 5206.2885 5185.7898 5238.9791 5157.7693 16.97_407.2013m/z 407.2012692 16.97 433.8559 350.2435 316.3898 217.4397 365.1269 362.7207 16.97_449.1193m/z 449.1193347 16.97 215.0374 287.6961 210.2725 314.8462 207.1096 63.7522 16.97_459.4141m/z 459.414143 16.97 3825.4388 3338.2119 3646.4818 3610.7837 3680.5106 3580.7200 16.97_690.4791m/z 690.4790879 16.97 5204.0073 4624.7061 5135.7175 4993.8174 5150.5029 5006.0579 16.97_690.9711m/z 690.9711037 16.97 1078.6853 877.4135 1032.6748 1097.4852 1007.9805 1100.0948 16.97_865.6156m/z 865.6155878 16.97 3158.6163 2783.4819 2909.1832 2774.3871 3014.3940 2891.4201 16.97_932.8511m/z 932.8510686 16.97 1641.7791 1448.7762 1553.6476 1540.5053 1491.7668 1415.9444 16.98_590.8462m/z 590.8461505 16.98 2276.8368 1906.7260 2119.8392 2091.7282 2153.2980 2106.1082 16.98_687.9932m/z 687.9931899 16.98 300.9957 211.8235 309.9029 291.9142 325.8463 294.0401 16.98_777.5405m/z 777.5405033 16.98 8959.9743 7684.4284 8500.1423 8260.2728 8400.9551 8258.5873 16.98_798.6356m/z 798.6355781 16.98 20242.6712 17860.9235 19013.5630 18881.5730 19114.2318 18010.9636 16.99_180.9128m/z 180.9127584 16.99 142.8861 156.6477 128.4587 42.6861 167.2166 123.9290 16.99_832.2173n 855.2064368 16.99 3774.8933 3034.5493 3310.0753 3093.7302 3042.1690 2946.4874 17.00_365.3636n 388.3538575 17.00 7191.6064 5902.9182 6753.5508 6461.3914 6640.2168 6516.2963 17.01_485.3196m/z 485.3196282 17.01 4989.2993 4322.7894 4657.8171 4669.2720 4797.3106 4705.3253 17.01_773.0497m/z 773.0497078 17.01 1468.2559 1237.1031 1323.5025 1201.9425 1280.8257 1311.4152 17.01_788.6098m/z 788.6098321 17.01 14263.4565 12055.9203 13141.3766 12867.5306 13099.0803 12381.1593 17.02_631.1697m/z 631.1697203 17.02 1001.5906 810.1492 900.3990 844.9070 911.1870 873.3460 17.02_698.1949n 721.1836449 17.02 5942.1128 4605.9659 5123.6377 4725.9727 4552.3984 4333.0043 17.03_557.4570m/z 557.4570343 17.03 3838.6673 3290.6096 3512.6074 3431.3749 3458.6609 3295.4863 17.03_735.5580m/z 735.5580062 17.03 5820.7237 5099.0599 5539.5397 5495.1793 5599.6350 5340.4008 17.03_845.0795m/z 845.0795214 17.03 741.8359 674.5559 794.6502 783.7480 656.4247 803.7644 17.05_237.0817m/z 237.0816926 17.05 1795.2001 1506.0014 1577.6214 1583.1312 1557.7804 1562.9636 17.05_497.1506m/z 497.1506471 17.05 1109.5391 982.7167 1237.0819 1055.4342 1142.3719 1201.8435 17.05_529.4498m/z 529.4498236 17.05 1479.3132 1240.3597 1222.6156 1324.6315 1366.5944 1308.0783 17.05_640.4444m/z 640.4444079 17.05 6513.0163 5813.4753 6308.1779 6251.0375 6387.6974 6393.9791 17.05_640.9444m/z 640.944358 17.05 2321.8989 2149.7763 2296.8535 2196.9227 2401.7766 2465.1654 17.05_815.6854m/z 815.6853624 17.05 34719.4369 30281.7065 32944.2633 32393.5831 32984.4012 32216.5712 17.05_934.8694m/z 934.869446 17.05 3215.5843 2647.3232 2981.0218 2796.9089 3000.4433 2878.6328 17.06_564.1744n 587.1637792 17.06 2426.8209 2022.2075 2224.6060 1954.8993 2169.6221 2043.6873 17.06_637.9645m/z 637.9644596 17.06 1228.3337 1100.7822 1208.0944 1180.3196 1286.1190 1207.0193 17.06_719.5189m/z 719.5189353 17.06 31658.5412 27707.2157 29380.3580 28478.6497 28962.0354 27644.1699 17.06_719.9914m/z 719.9914123 17.06 1169.3597 1023.0821 1116.4027 1219.5695 1160.5750 1035.8577 17.06_788.8916m/z 788.8915628 17.06 1780.3512 1466.0302 1643.0182 1680.6352 1627.3335 1651.4923 17.06_89.0187m/z 89.01869621 17.06 80.3565 73.8188 64.7058 70.6891 57.1435 51.0469 17.07_432.3264n 455.3116673 17.07 138020.6995 120164.9771 131920.8853 132562.6557 133331.2883 132789.8760 17.08_743.6029m/z 743.6029397 17.08 17243.5347 14589.6076 16072.6185 15074.1079 15736.4130 14946.3419 17.09_873.6271m/z 873.6270542 17.09 73533.4408 64749.7160 69166.5378 66929.7288 68352.9846 65791.1740 17.10_312.3634m/z 312.3634283 17.10 222.3102 148.7239 175.8577 214.1355 142.7346 156.3241 17.12_874.1019m/z 874.1018517 17.12 923.5770 749.4335 878.2398 953.2362 902.7435 904.8371 17.13_435.3424m/z 435.3423509 17.13 5300.1078 4659.8843 4958.9467 4901.8587 4867.6824 4917.3842 17.14_667.4789m/z 667.47892 17.14 3555.9773 3102.0618 3434.8104 3211.7020 3464.8560 3003.6892 17.14_669.9660m/z 669.965988 17.14 2839.2754 2454.7017 2574.8167 2629.1487 2823.3390 2761.3870 17.14_679.5395m/z 679.5394611 17.14 8553.6695 7442.0692 8121.1542 7993.5447 8244.2671 7819.6264 17.15_666.9860m/z 666.9860271 17.15 1856.7367 1427.7244 1579.0976 1626.5995 1721.4110 1583.5478 17.15_669.4600m/z 669.4599625 17.15 17790.9950 15486.4681 16670.7667 16698.2152 16895.8994 16590.7207 17.15_749.0129m/z 749.0128704 17.15 1300.3145 1121.4115 1324.5003 1281.6589 1333.7062 1379.7179 17.16_517.2911m/z 517.2911141 17.16 1736.7759 1506.4177 1639.5752 1570.9430 1634.8706 1501.7497 17.16_746.0333m/z 746.0333322 17.16 543.8457 364.9010 470.5997 499.2303 515.7341 390.6957 17.17_617.5392m/z 617.5391974 17.17 20180.0628 17502.3735 18974.3404 18995.7956 19030.5265 18638.7538 17.18_603.5260m/z 603.5260004 17.18 2542.4334 2137.6837 2380.9620 2319.5040 2328.4980 2245.0986 17.21_618.8507m/z 618.8507232 17.21 208.4913 121.2618 218.4728 114.7683 211.3016 227.4780 17.21_902.6317m/z 902.6316669 17.21 3580.7098 3168.6881 3518.9903 3384.7620 3553.3688 3336.2707 17.22_437.3569m/z 437.3569291 17.22 11146.3292 10194.0407 10485.8623 10498.0934 10728.2192 10459.3418 17.22_787.0550m/z 787.0549911 17.22 402.0406 342.4855 360.7411 377.9427 352.3195 373.5701 17.22_903.1223m/z 903.1223274 17.22 1119.6100 979.8310 950.2795 998.7294 1135.3201 1046.0276 17.23_445.3490m/z 445.3489781 17.23 7045.5269 6089.3384 6735.0949 6511.9295 6601.6001 6558.7730 17.24_185.9548m/z 185.9547684 17.24 105.9618 55.1086 102.1295 59.1652 63.4483 67.6757 17.24_326.3778m/z 326.3778187 17.24 205.4400 134.4692 189.9587 216.1026 149.3242 203.0833 17.24_773.0556m/z 773.0555643 17.24 510.8958 443.1602 510.2775 468.4402 473.1921 459.7816 17.24_777.5426m/z 777.5425837 17.24 17213.8074 14759.8974 15942.8598 15800.9523 15757.9432 15205.2753 17.24_906.2357n 929.218767 17.24 5761.2629 4747.8955 4816.0797 4811.1856 4423.3257 4520.5579 17.25_544.8419m/z 544.8419173 17.25 2177.1370 1898.7793 1877.0697 1720.0581 1751.9059 1724.7047 17.25_696.0059m/z 696.0058878 17.25 1340.4128 1209.4459 1307.9765 1204.5172 1275.3091 1241.1541 17.25_698.4843m/z 698.4842551 17.25 8886.3591 7890.4569 8629.6106 8614.5744 8912.6677 8405.3638 17.25_698.9861m/z 698.9860579 17.25 2890.5119 2576.2740 2646.9785 2749.9139 2853.3813 2872.5092 17.25_775.0502m/z 775.0502278 17.25 473.6069 341.8359 474.6867 409.0427 409.8412 410.2753 17.25_778.0331m/z 778.033109 17.25 1278.3289 1104.5235 1203.0165 1279.1146 1200.3296 1216.1342 17.26_722.5076n 705.5042638 17.26 44528.5213 39805.0530 42605.6216 41649.2255 42686.6900 41788.4096 17.27_701.4365m/z 701.4364761 17.27 10586.2479 9199.2735 10124.0515 10031.1629 10069.9590 9854.3637 17.27_739.5211m/z 739.5211414 17.27 20749.4420 17790.9187 18712.0866 17585.7565 18519.6201 16579.3618 17.29_557.4941m/z 557.4940943 17.29 7060.1337 6000.4347 6716.6308 6418.8551 6458.4376 6330.7115 17.29_931.6787m/z 931.6787055 17.29 40753.8411 35116.1496 38416.2489 37179.7604 37477.7711 36444.4282 17.30_932.1414m/z 932.1413802 17.30 656.1473 520.4563 663.9161 438.2069 674.9848 525.4182 17.32_475.2364m/z 475.2363694 17.32 8612.0511 7627.0339 8037.5353 7973.8799 7996.3907 7819.2900 17.32_491.2874m/z 491.2874065 17.32 2060.9007 1820.5878 1963.5471 1942.4258 2033.5735 1942.2937 17.32_605.8881m/z 605.888145 17.32 1149.9283 1114.4024 1026.0372 1228.1298 1161.4744 1010.5005 17.32_608.8987m/z 608.8986667 17.32 1145.6923 1057.7336 1102.8795 1033.3777 1178.9283 1078.1668 17.32_706.9527m/z 706.952749 17.32 411.7975 279.4341 310.0040 308.7699 307.2991 323.1850 17.32_772.2119n 795.202385 17.32 5093.2538 4036.0823 4392.8075 4219.2217 4159.3418 3989.4786 17.32_801.0341m/z 801.0341257 17.32 2040.3681 1791.7308 1917.7857 1936.1488 1956.3439 1964.1098 17.32_803.5428m/z 803.5427889 17.32 76637.4867 67127.3165 74899.5955 74350.8451 72087.9438 70012.3714 17.32_865.5265m/z 865.5264928 17.32 5883.6089 5107.0194 5734.6164 5612.8497 5481.6707 5503.6772 17.32_995.7041m/z 995.7041452 17.32 8442.1458 6874.1216 7670.4775 7585.9926 7555.6135 7230.2831 17.33_531.4682m/z 531.4682482 17.33 1173.0791 1213.9472 1331.4832 1184.0372 1132.3235 1341.6180 17.33_625.4661m/z 625.4661181 17.33 7857.6916 7145.5866 7900.2883 7547.7021 7617.2327 7580.6273 17.33_682.1998n 705.1858817 17.33 771.3139 731.2475 766.4294 833.0820 707.9704 810.3232 17.33_809.5763m/z 809.5763133 17.33 12137.8456 10172.1123 10924.7963 10882.4476 10740.1149 10060.6501 17.34_141.1641m/z 141.1641091 17.34 555.2354 444.5061 527.2816 502.2652 510.3281 463.1442 C10H22O "3,7-Dimethyl-3-octanol" MEDIUM 17.34_149.0237m/z 149.0237391 17.34 5276.2630 4647.7406 4990.0997 5072.2717 4953.1792 4874.5905 17.34_163.0392m/z 163.0392148 17.34 7136.3749 6302.2369 6762.0054 6740.7426 6644.4419 6554.5931 C9H8O4 Monomethyl phthalate 491486 MEDIUM 17.34_307.1889m/z 307.1888676 17.34 4126.0179 3560.6652 3887.0299 3864.9604 3934.9741 3824.8452 17.34_426.3673n 449.3586796 17.34 87505.2373 76390.1480 84050.9692 84011.7195 84144.5216 84221.3790 17.34_469.5056m/z 469.5056167 17.34 7968.6248 7118.8414 7809.4377 7730.8072 7809.8194 7485.1291 17.34_474.4401n 492.3941319 17.34 29555.7517 25669.6652 28252.9967 27715.0672 27767.5894 26864.1121 17.34_485.3050m/z 485.305034 17.34 2636.7882 2371.4737 2599.3937 2505.9717 2594.2138 2584.0145 17.34_511.3216m/z 511.3215576 17.34 5693.7676 4896.9262 5420.0676 5388.8271 5491.5228 5330.3742 17.34_523.4114n 506.4080668 17.34 20832.6050 17892.5356 19788.8230 19400.1895 19687.7744 19223.3471 17.34_532.3265n 555.26828 17.34 6117.7261 5396.2215 5890.2251 5691.1783 5785.5882 5629.4223 17.34_534.2852n 557.2658998 17.34 3014.5166 2444.2409 2744.6141 2744.9501 2763.3746 2750.0207 17.34_548.3029n 531.2996422 17.34 9329.5377 8113.2655 8865.8633 8608.1957 9041.0282 8389.5403 17.34_671.3794m/z 671.379354 17.34 4789.6075 4124.3055 4505.4266 4264.0406 4326.5191 4146.8601 17.34_691.4304m/z 691.4304294 17.34 2428.7104 2075.6253 2343.2677 2238.4954 2259.4122 2211.3603 17.34_697.3345m/z 697.3345373 17.34 1878.1784 1659.4797 1890.3402 1778.5280 1728.3124 1837.8213 17.34_839.6516m/z 839.6515996 17.34 40474.1902 34511.2044 37681.4069 36931.5180 37361.1736 35913.3224 17.34_85.1016m/z 85.10161596 17.34 741.3729 639.3161 709.1574 750.7281 760.5879 715.6601 C6H12 Methylcyclopentane MEDIUM 17.34_915.6581m/z 915.6581208 17.34 88046.0595 76782.0130 82813.2575 82135.9182 82713.9472 80199.1664 17.35_469.3963m/z 469.396253 17.35 2224.2048 1824.2947 1853.3571 1857.6795 1689.2722 1470.5856 17.35_725.0267m/z 725.0266562 17.35 1064.3070 1017.2221 1030.7506 988.6708 1004.1345 991.3823 17.35_807.0536m/z 807.0535974 17.35 1267.5420 1217.2386 1383.8798 1421.4604 1361.7535 1439.5144 17.35_929.7103m/z 929.7102663 17.35 8730.1139 7614.1629 7767.1493 7797.1329 7720.6702 7622.9214 17.36_587.9160m/z 587.9159995 17.36 82.7517 164.7096 143.3403 148.6665 96.3661 88.9950 17.36_728.0065m/z 728.0064899 17.36 2681.9146 2339.7401 2420.2560 2466.4749 2656.0885 2621.6946 17.37_299.2937m/z 299.2937009 17.37 942.1593 766.7182 859.6766 849.0790 885.3465 839.8141 C19H38O2 Nonadecanoic acid Nonadecylic acid HMDB00772 MEDIUM 17.37_322.2661m/z 322.2660959 17.37 734.8048 610.2274 652.1940 644.5898 643.8038 631.8266 17.37_383.2379m/z 383.2378882 17.37 3483.9889 3012.2043 3271.2898 3264.8446 3256.7018 3279.7878 17.37_461.3738m/z 461.3737847 17.37 16688.8273 14250.9045 15643.0685 15482.8625 15395.8082 15623.7209 17.37_660.4955n 643.4922316 17.37 12182.6282 10666.2432 11647.0252 11592.0791 11800.7106 11452.7153 17.39_645.5044m/z 645.5044101 17.39 20282.8264 17689.8330 19251.1598 19208.7230 19412.6383 19061.5317 17.39_961.1632m/z 961.1631676 17.39 1123.8125 1049.2572 1058.4270 992.0317 1077.7404 1092.2491 17.40_394.8156m/z 394.8155931 17.40 1035.3606 845.0586 942.3403 910.8639 891.5521 944.5695 17.40_569.3717m/z 569.3717314 17.40 25258.9795 22055.7357 24142.3032 23868.1525 24057.2827 23683.3810 17.41_423.3358m/z 423.3358041 17.41 4463.6666 3899.7494 4347.6229 4269.3849 4423.7776 4388.3509 17.41_521.3801m/z 521.3801025 17.41 2128.6494 1873.8952 2043.4390 1995.1251 2052.9380 1967.4858 17.41_567.4234m/z 567.4233646 17.41 3340.9600 2989.3253 3271.8180 3232.2243 3213.4885 3094.7987 17.44_483.3434m/z 483.3434364 17.44 21784.6122 19133.6525 20914.2223 20815.8025 20933.1179 20947.4385 17.44_814.2052n 837.1945789 17.44 14246.3746 12223.7323 13038.8062 12472.8117 12869.3641 12213.0666 17.45_480.4637n 503.4182996 17.45 46867.8451 40330.3059 44078.2208 43789.2344 43634.8224 43058.4328 17.45_544.8430m/z 544.8429704 17.45 827.8720 749.6453 825.5481 728.1013 753.5962 858.2763 17.45_836.0747m/z 836.0747332 17.45 1176.9593 987.0324 1076.7468 1109.0397 1071.9335 1100.9408 17.45_925.2666m/z 925.2665781 17.45 3074.8817 2688.1421 3181.5510 3101.8238 3037.9292 3107.1780 17.46_237.0815m/z 237.0815475 17.46 1513.7167 1282.5998 1580.3115 1327.5797 1524.7716 1495.3594 17.46_501.4564m/z 501.4564404 17.46 4136.7324 3638.0512 4005.9512 4070.5928 3971.7275 4025.3950 17.46_548.1787n 571.1681954 17.46 1700.4381 1634.6756 1627.4605 1525.4855 1651.9463 1607.8401 17.46_638.1910n 661.1797324 17.46 3143.0880 2601.8398 2729.3157 2816.2342 2642.0112 2517.9077 17.46_754.0479m/z 754.0479307 17.46 1001.9805 693.2778 779.7478 758.4449 886.2267 754.9379 17.46_754.5511m/z 754.5511376 17.46 10017.5009 8792.2291 9736.7565 9143.5293 9043.2657 8874.4941 17.46_757.0274m/z 757.0273507 17.46 2352.0812 2017.4691 2260.8024 2181.8437 2202.5111 2245.6942 17.47_180.9121m/z 180.9121486 17.47 49.5183 183.1126 117.8628 141.5479 137.6256 122.6325 17.48_667.7853m/z 667.7853087 17.48 145.9671 63.2947 209.9876 96.4227 129.9676 101.7860 17.49_563.4543m/z 563.4543329 17.49 9327.7770 8049.5583 8727.0935 8759.1431 8833.5069 8606.0293 17.49_989.7035m/z 989.7035447 17.49 27509.3979 22597.3803 24443.3163 23368.7881 23847.1136 22631.7273 17.49_990.1844m/z 990.1844472 17.49 1061.0741 899.0963 991.1854 919.4279 867.4432 994.7658 17.50_216.9726m/z 216.9725996 17.50 218.1610 166.7082 171.9979 144.1424 161.7726 116.9419 17.52_571.4745m/z 571.4745085 17.52 5359.7292 4630.1528 4909.1709 4884.5410 4910.6346 4677.6379 17.52_615.2715m/z 615.2714581 17.52 697.8065 542.9880 358.2555 728.6451 446.6881 222.9922 17.53_297.0307m/z 297.0307231 17.53 127.5906 64.6964 105.7381 56.2501 69.2271 92.4744 17.53_684.6150n 707.6025907 17.53 32651.9610 27692.9361 30657.8582 30643.2302 30243.3507 29921.0589 17.55_495.2998m/z 495.2998207 17.55 5191.4734 4448.7703 4807.0459 4889.7829 4841.3506 4686.9088 17.55_641.2695m/z 641.2694933 17.55 735.7719 715.4714 766.2142 800.8048 694.1399 584.4862 17.56_487.3724m/z 487.3723831 17.56 5166.1507 4537.6716 4972.8862 4947.3504 5031.9916 5034.9285 17.56_518.1312n 536.1650665 17.56 7445.7480 6438.9843 7051.1825 7163.6995 6983.9473 6935.9897 17.56_664.6462n 687.5864077 17.56 26250.2202 22875.7298 24534.6104 24678.8985 24829.3825 24010.1567 17.56_864.6011m/z 864.6010902 17.56 4634.5942 3821.5414 4291.6327 4181.4196 4139.2284 4086.3920 17.56_865.0963m/z 865.0963314 17.56 1040.7379 922.2569 1005.2788 1050.6464 1024.2916 960.3825 17.57_786.0489m/z 786.0488575 17.57 2981.8297 2488.8526 2827.2888 2802.0442 2686.0576 2752.8935 17.57_944.7353m/z 944.7353208 17.57 39654.5902 34308.5920 36855.2183 35206.3645 35893.3940 34511.5568 17.58_463.3713m/z 463.3713079 17.58 3053.4737 2574.4520 2923.1903 2923.8764 2884.5126 2989.5783 17.58_783.0689m/z 783.0688589 17.58 513.7555 432.6931 541.1231 543.5059 572.3741 448.9477 17.59_687.1332m/z 687.1331635 17.59 179.7065 98.7492 205.7632 145.5386 208.8992 159.5644 17.60_631.5695m/z 631.5695362 17.60 8639.3682 7490.6611 8154.3036 8254.1517 8244.2415 8169.6645 17.61_130.9246m/z 130.9245741 17.61 88.9204 110.2264 105.7251 95.7419 95.9529 116.1276 17.61_180.9121m/z 180.9120788 17.61 172.4936 124.5772 90.2804 93.9266 142.2306 69.6337 17.61_216.9728m/z 216.972816 17.61 72.5106 141.3152 189.2725 85.1222 116.6898 86.6425 17.61_837.6344m/z 837.6343831 17.61 10356.0118 8520.5575 8325.7930 8228.3464 8349.5324 7378.7838 17.62_876.6970m/z 876.6969861 17.62 29944.8008 26131.0956 28449.7087 28014.8140 27825.4493 27501.8748 17.63_576.8327m/z 576.8327293 17.63 599.6207 578.5498 641.9291 555.8362 535.7708 575.6148 17.66_459.3700m/z 459.3699993 17.66 1011.5238 848.1985 938.2771 1011.2536 981.6043 987.3002 17.67_894.1167m/z 894.1167134 17.67 1133.8495 968.8995 1191.6940 1123.4845 1076.7451 1030.9728 17.68_814.5775m/z 814.5775146 17.68 4982.3544 4270.5367 4825.8389 4733.7987 4607.6925 4659.9097 17.68_846.2317n 869.2213518 17.68 6636.8139 5508.5257 5905.6071 5609.3263 5286.4908 5275.6273 17.70_706.9524m/z 706.9524148 17.70 694.1941 678.4228 613.6096 629.8408 589.7108 590.6174 17.70_812.6663m/z 812.6662801 17.70 8081.8432 6670.6194 7204.4312 7025.9654 7228.2151 6911.0890 17.70_815.0697m/z 815.069655 17.70 1779.0536 1498.9217 1750.0556 1639.5243 1702.3153 1619.8789 17.71_473.3913m/z 473.3912543 17.71 7117.4138 6025.8686 6681.7603 6714.0259 6642.6049 6706.7070 17.71_779.2093m/z 779.209318 17.71 775.0880 680.3510 812.0401 718.2396 747.9644 779.9885 17.72_592.4700m/z 592.4699767 17.72 8010.5770 7101.6213 7824.2383 7720.0799 7679.5884 7470.0510 17.73_312.3624m/z 312.3623731 17.73 152.4518 144.0544 171.2478 152.1437 142.3268 136.7912 17.73_465.3875m/z 465.3874694 17.73 4826.1310 4289.2676 4670.5205 4612.3152 4570.0948 4586.8692 17.73_989.8414m/z 989.8413952 17.73 6161.9823 5359.7381 5809.9998 5836.8657 5644.3519 5576.9720 17.75_765.8531m/z 765.8530844 17.75 1039.5398 909.6750 857.0728 961.2525 921.9135 912.6010 17.78_326.3775m/z 326.3774605 17.78 311.8363 255.0618 293.1546 276.3207 297.2468 308.7459 17.78_923.1379m/z 923.1378772 17.78 993.8874 761.3357 986.8957 963.9910 908.9234 881.9865 17.79_108.9266m/z 108.9265822 17.79 259.3517 151.9650 148.8350 171.4374 182.1359 157.4082 AsH3O3 Arsenous acid 49900 MEDIUM 17.81_602.8799m/z 602.8799277 17.81 285.7512 257.4202 260.5265 256.1344 301.5950 239.5254 17.81_725.8231m/z 725.8231449 17.81 414.8059 205.2142 267.6059 422.5653 328.5650 372.3842 17.82_669.6379m/z 669.6379153 17.82 2923.6628 2572.8544 2779.6930 2859.2481 2813.4808 2733.7343 17.82_844.0906m/z 844.0906165 17.82 977.4662 710.2613 792.2749 892.9199 891.7120 931.8844 17.82_860.6893n 878.6915637 17.82 121777.0999 105386.7885 114008.7537 112276.1073 111219.3690 109840.6941 17.84_767.5325m/z 767.5324692 17.84 3554.7115 3187.4721 3502.3542 3173.4657 3311.5182 2687.4923 17.86_315.3785m/z 315.3784562 17.86 43.6646 36.0016 52.2271 27.9377 43.2828 11.5872 17.86_477.3823m/z 477.3823215 17.86 3430.2677 3044.7055 3360.6584 3272.3493 3317.1300 3258.4153 17.86_559.3707m/z 559.3706665 17.86 3130.4785 3051.6179 3254.8082 3081.5168 3232.4955 3523.0395 17.87_180.9116m/z 180.9116236 17.87 95.1863 173.6837 159.6482 115.0304 140.1253 87.0987 17.88_573.5028m/z 573.5028396 17.88 2089.5021 1810.1145 1970.6057 1965.3255 1928.2079 1987.7637 17.89_317.9362m/z 317.9361925 17.89 125.5671 82.9522 135.6852 127.8871 64.1949 128.1249 17.89_548.4725n 531.4691912 17.89 5382.1201 4757.7253 5201.6329 5057.3609 5138.0735 5016.3185 17.91_952.1585m/z 952.1585469 17.91 783.3618 704.2192 808.3613 712.8991 841.6453 899.4491 17.92_558.8290m/z 558.8290394 17.92 523.0458 426.5056 334.2650 428.4204 417.9051 385.8693 17.93_258.8143m/z 258.8142943 17.93 267.7859 225.2051 223.2814 231.6995 239.9139 233.9942 Co3O4 "Cobalt(II, III) oxide" MEDIUM 17.93_603.3147m/z 603.3147262 17.93 1653.3766 1562.8300 1680.3911 1631.7566 1582.6754 1604.0284 17.94_108.9265m/z 108.9265296 17.94 303.5808 153.2972 179.3600 289.5377 200.0051 160.8296 AsH3O3 Arsenous acid 49900 MEDIUM 17.94_712.2092n 735.1988315 17.94 4087.4507 3598.6137 3715.4540 3590.4243 3545.0253 3590.2684 17.95_709.5328m/z 709.532815 17.95 3646.6865 3124.6226 3342.3831 3360.3203 3188.4032 3149.4614 17.96_312.3618m/z 312.3618328 17.96 498.4643 529.9241 535.6134 464.8654 474.0073 493.7683 17.96_622.1961n 645.184031 17.96 1918.0041 1739.9090 1915.6751 1796.4816 1780.2888 1707.8140 17.96_873.1113m/z 873.1112673 17.96 397.3869 420.8179 504.1225 495.2724 546.3532 473.0101 17.97_544.8447m/z 544.8446613 17.97 2723.8570 2371.2175 2456.7401 2380.6846 2579.6024 2409.3185 17.98_532.1835n 555.1725687 17.98 4916.9987 4463.8561 4865.4545 4514.1338 4519.8090 4514.1529 17.98_626.4565m/z 626.4564865 17.98 154.4615 65.0513 82.3827 242.1428 167.9736 151.7788 17.99_335.1885m/z 335.1884501 17.99 13265.7652 11305.0215 12968.9473 12622.3419 12792.4591 12960.5406 17.99_753.5394m/z 753.539404 17.99 6223.6513 5572.9194 6173.4417 5772.8097 5883.6554 5659.6085 18.00_721.7751m/z 721.7751433 18.00 1276.2152 1112.4258 1233.7304 1273.6629 1180.3213 1205.8198 18.03_421.3526m/z 421.3525672 18.03 7991.4455 6715.9914 7507.8633 7457.2189 7404.4539 7364.2533 18.03_451.3692m/z 451.3691751 18.03 5586.6777 4822.1996 5314.2259 5294.6821 5367.5416 5357.8537 18.03_643.5284m/z 643.5283763 18.03 3038.1968 2607.1636 2858.1932 2771.3938 2775.3863 2733.4515 18.05_326.3766m/z 326.3765741 18.05 223.4415 199.7882 155.3546 191.8056 161.7584 211.3214 18.05_535.4222m/z 535.4222428 18.05 6428.0360 5801.0965 6037.4785 6040.1413 6060.8620 6089.0609 18.05_647.3405m/z 647.3405045 18.05 426.5000 360.6481 416.8511 471.0256 419.1452 426.3143 18.05_749.5704m/z 749.5703831 18.05 21528.7658 19027.6510 20528.6889 19685.8566 19356.5469 19337.5701 18.06_626.4610m/z 626.4609905 18.06 102.7827 41.6230 177.1065 96.4901 111.3608 145.5139 18.06_759.6307m/z 759.6307235 18.06 61003.0875 52158.0771 56564.9386 54845.2087 55254.0032 54115.7191 18.06_981.1795m/z 981.1795219 18.06 647.5073 519.6327 594.4336 707.2503 630.0699 607.6844 18.08_902.1316m/z 902.1316394 18.08 256.1571 203.8823 233.3481 250.7176 163.7156 263.8067 18.09_425.3366m/z 425.3365999 18.09 1859.9926 1558.3517 1749.8083 1693.5465 1685.5253 1682.5448 18.09_543.5058m/z 543.5057701 18.09 6933.3555 5868.8213 6353.9566 6535.7329 6319.7189 6073.2081 18.10_60.0817m/z 60.08174572 18.10 85.7506 73.5499 68.0782 90.7588 60.5028 81.8365 18.11_108.9268m/z 108.9267779 18.11 123.8876 69.0850 52.5226 106.4793 56.6893 123.7911 AsH3O3 Arsenous acid 49900 MEDIUM 18.12_683.4894m/z 683.4894184 18.12 1240.8421 1140.1979 1113.6742 1085.2424 1090.1069 1135.6996 18.12_701.4412m/z 701.441237 18.12 2224.5256 1977.4630 2146.2969 2089.9429 2179.9850 2194.0065 18.12_781.5484m/z 781.5483974 18.12 12387.3816 10637.7213 11485.6658 11119.0863 10879.8880 11040.3978 18.13_920.2492n 943.2412171 18.13 7236.3945 5934.8057 6158.4804 6003.3043 5655.3952 5592.2868 18.16_522.5953m/z 522.5953401 18.16 157.5535 209.4129 176.8723 185.6643 116.6442 114.5999 18.16_592.1491n 610.1829367 18.16 9465.7154 7861.0991 8527.9402 8329.7953 8060.2829 8051.9444 18.16_693.5323m/z 693.5322763 18.16 13336.6558 11318.1384 12137.8378 12205.1376 12055.4927 11953.1696 18.16_787.0535m/z 787.053478 18.16 482.8253 371.5502 413.0644 412.6697 399.5650 388.3810 18.19_830.2331n 853.2251638 18.19 1097.2624 819.8343 929.8349 804.8568 1024.3984 861.1062 18.20_326.3774m/z 326.3773529 18.20 141.2011 139.2116 140.1925 146.7056 87.1040 121.2704 18.21_497.3566m/z 497.356643 18.21 5360.3145 4573.9728 5116.4400 5209.2289 5124.9892 4984.9008 18.21_603.5253m/z 603.525267 18.21 2937.8642 2588.3762 2731.6885 2745.0991 2794.8152 2780.4496 18.22_602.8748m/z 602.8747885 18.22 245.3064 239.4080 291.6521 251.7424 207.1829 204.1128 18.25_501.4004m/z 501.4003854 18.25 19771.7049 17309.5028 18734.3849 18671.7831 18543.4675 18551.2263 18.26_108.9267m/z 108.926718 18.26 168.3185 33.1652 129.6683 143.8493 124.4953 125.2779 AsH3O3 Arsenous acid 49900 MEDIUM 18.26_234.0816m/z 234.0816093 18.26 35.4392 8.0676 37.8453 29.0951 28.3957 31.3283 18.27_633.5238m/z 633.5238232 18.27 11087.9373 9642.8494 10525.3890 10198.1264 10232.0012 10229.5123 18.27_706.9533m/z 706.9533018 18.27 460.5814 404.9575 447.3561 406.1182 414.3918 372.7694 18.30_721.7732m/z 721.7732128 18.30 606.1624 614.3292 641.0713 496.2189 559.3401 516.1144 18.31_312.3622m/z 312.3621586 18.31 376.3348 389.3353 420.0346 335.0386 391.5592 434.7553 18.33_795.5636m/z 795.5636409 18.33 14517.5375 12496.9382 13181.9017 13386.3098 12986.4462 12857.5177 18.34_549.4438m/z 549.4438399 18.34 6864.7354 5841.9822 6502.5278 6297.2322 6337.0442 6301.5284 18.34_569.3769m/z 569.3768504 18.34 5370.3669 4612.5187 5124.7611 4975.8153 4996.7496 5075.6818 18.34_779.5870m/z 779.5870162 18.34 6094.1135 5693.5774 5503.7121 5310.0807 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25391.2632 19.66_753.5656m/z 753.5656151 19.66 5661.0071 4838.1237 5330.3287 4797.7066 4724.0844 5021.7721 19.68_551.4979m/z 551.4978883 19.68 2264.6810 2122.1507 2287.0148 2060.5204 2010.2209 2056.0698 19.69_981.7668m/z 981.7667711 19.69 328.7300 298.1107 316.9715 158.9915 367.6595 81.7923 19.70_637.4525m/z 637.4524791 19.70 4684.6381 4136.9518 4344.6930 4372.1721 4379.7767 4275.2041 19.71_431.8130m/z 431.8129843 19.71 335.0331 227.0441 258.9931 188.8787 249.8876 265.0257 19.74_984.7819m/z 984.7818859 19.74 12122.5740 9983.3827 9890.9459 9850.0993 9462.5817 9327.2422 19.78_218.9768m/z 218.9768096 19.78 111.9085 122.7412 129.6025 130.1872 118.4248 158.7054 C3H11NO7P2 Pamidronate 160401 MEDIUM 19.78_530.4592n 553.435444 19.78 26979.9373 23672.0388 25693.9582 24890.3465 25698.9202 24761.3474 19.79_312.3614m/z 312.361359 19.79 898.1836 755.1052 811.6952 837.5359 748.5933 841.5679 19.80_360.0116m/z 360.0116203 19.80 74.7311 41.0511 64.2624 21.3147 92.9937 61.4228 19.80_966.7631m/z 966.7631121 19.80 488.5991 490.3888 358.3349 410.5793 474.7204 385.7506 19.83_544.8484m/z 544.8483956 19.83 7091.4646 6306.6997 6697.4044 6548.5266 6242.9636 6412.0494 19.83_558.8267m/z 558.8266846 19.83 835.3267 660.5167 602.5404 653.0111 625.7064 690.3063 19.84_767.8326m/z 767.8325719 19.84 5841.3866 5147.2793 5452.1100 5357.9421 5374.5963 5252.8578 19.85_201.8638m/z 201.8638401 19.85 92.4595 72.8961 72.4193 79.3258 40.4577 46.8559 19.85_202.8724m/z 202.8723546 19.85 73.3546 57.0388 64.1551 51.8873 35.9274 78.7996 19.86_735.5663m/z 735.5663494 19.86 14830.9146 12531.1237 14029.2259 13194.4069 13511.4755 13182.8017 19.90_721.7718m/z 721.7718065 19.90 2016.7029 1581.4678 1639.8867 1662.0265 1715.7713 1575.5811 19.90_888.2224n 906.2562084 19.90 15545.4530 13242.2592 13600.2069 13680.6780 13498.8705 12629.6963 19.92_295.8479m/z 295.8478951 19.92 219.7435 174.7461 204.8719 185.6904 173.6180 190.2380 19.92_326.3762m/z 326.3761971 19.92 413.3896 356.7725 411.5299 316.9864 375.7585 388.4471 19.92_446.9815m/z 446.9814505 19.92 64.1479 53.3463 56.6747 32.1830 53.9491 38.1967 19.92_977.7201m/z 977.7200663 19.92 6524.1945 6325.7464 6559.9242 5976.8713 6078.3020 6142.6145 19.98_604.5271m/z 604.5270898 19.98 14567.3331 12785.4247 13813.3149 13667.3582 13652.1931 13494.7360 19.98_651.4746m/z 651.4745625 19.98 3213.9037 2819.7751 3008.4770 3061.6890 2875.7605 2767.8952 19.98_740.1853n 758.2191514 19.98 12364.8717 10653.1765 11436.9362 11307.3704 11066.6323 10648.2724 19.98_993.7380m/z 993.7380107 19.98 237.9843 382.1422 357.1462 321.9733 259.9991 156.4612 19.99_618.8525m/z 618.8524745 19.99 646.8768 675.3711 706.3734 736.1223 636.3461 573.6403 2.00_240.1084m/z 240.1083689 2.00 2041.0544 2623.8427 2196.1787 2291.2891 2169.0946 2328.9447 2.01_213.1232m/z 213.1231546 2.01 5542.4535 5956.8192 5491.0881 5589.2719 5757.9061 5841.9945 2.01_220.5584m/z 220.5584343 2.01 105.0413 170.6434 116.3929 150.8540 113.6524 118.2702 2.01_229.0331m/z 229.0330948 2.01 1077.5687 1137.0991 1153.8544 1144.2344 1162.7834 1151.5197 2.01_253.5547m/z 253.5546522 2.01 80.6628 111.2103 92.6424 102.1883 121.8737 120.6847 2.01_719.1715m/z 719.1715203 2.01 260.2897 364.3989 321.5503 357.7704 319.9885 301.9305 2.03_152.5251m/z 152.5250923 2.03 7.0217 13.3735 20.2897 20.2110 22.2928 16.0751 2.03_197.9614m/z 197.9613865 2.03 174.3255 150.3314 153.9188 184.5088 174.3713 155.5705 2.03_234.5803n 218.5577303 2.03 86.8815 118.7096 61.3661 103.6013 99.1250 108.1983 2.03_244.5632m/z 244.5632497 2.03 132.9270 119.5747 111.0317 122.9811 133.7362 119.2913 2.03_261.5429m/z 261.5429122 2.03 68.4622 83.0855 54.2497 82.9275 90.0451 85.6780 2.03_276.5737m/z 276.5736699 2.03 84.8993 70.7478 74.3316 107.2206 63.9009 72.1088 2.03_284.5623m/z 284.5622867 2.03 173.5237 174.2690 169.2151 189.1432 165.8122 157.7663 2.03_293.0539m/z 293.0538603 2.03 4904.8590 4376.3213 4750.8386 5580.8293 4808.4313 4871.6673 2.03_309.0259m/z 309.0258748 2.03 1369.4364 1251.8500 1366.4010 1424.0812 1330.3075 1392.3995 2.03_321.1447n 344.1345602 2.03 711.1587 869.9803 848.8594 882.8700 829.4881 800.5055 2.03_331.5985m/z 331.5984712 2.03 25.2282 31.0369 36.0522 34.7670 17.8197 38.3696 2.03_332.6236m/z 332.6236467 2.03 817.6351 916.4737 941.5589 1094.2855 902.8942 978.5545 2.03_345.0235m/z 345.0235289 2.03 1796.1943 1601.6282 1782.7512 1787.2064 1684.1529 1687.3887 2.03_358.5864m/z 358.5864131 2.03 64.7790 108.3434 102.4333 133.1346 91.9731 98.5664 2.03_400.5824m/z 400.582427 2.03 22.7331 22.7034 24.2853 35.5451 13.4759 11.3913 2.03_553.1103m/z 553.1103455 2.03 1064.7158 998.8343 1089.1655 1110.3999 1011.5428 1028.7124 2.03_629.1253m/z 629.1252879 2.03 315.8061 413.5645 349.7122 381.9080 331.8515 358.8953 2.03_645.1139m/z 645.1138661 2.03 223.2947 267.9795 216.4683 236.5335 214.7038 252.1338 2.03_670.1633m/z 670.1632789 2.03 292.8538 311.3544 315.3960 367.5756 321.3359 302.2866 2.03_678.1999m/z 678.1998947 2.03 127.9857 143.6606 122.5885 140.9931 102.4916 106.3051 2.04_146.5252m/z 146.5251946 2.04 18.4475 21.1633 18.9688 17.3660 16.7895 21.7412 2.04_148.0217n 131.0183642 2.04 621.8869 603.1859 617.8632 685.7633 621.0900 613.2578 2.04_149.0238m/z 149.0237774 2.04 22369.4444 20588.2259 21155.9705 20279.8150 20860.9669 21457.8579 2.04_152.0243m/z 152.0242758 2.04 743.1678 691.2401 759.3692 787.2444 755.9106 715.7127 2.04_159.5430n 182.5350544 2.04 185.5283 173.9767 177.4760 220.9688 189.7219 197.7950 2.04_172.5410m/z 172.5409697 2.04 126.3873 134.1458 121.2833 109.0850 129.1319 141.6725 2.04_186.9693m/z 186.9692751 2.04 303.1241 250.2974 306.5123 328.0572 287.1321 294.6826 2.04_198.5635m/z 198.5635003 2.04 83.5308 109.7028 102.4858 114.1505 87.0763 99.6128 2.04_213.5440m/z 213.5440434 2.04 38.0402 33.2583 33.5985 49.0994 34.5318 29.1900 2.04_216.9797m/z 216.9796864 2.04 219.0842 206.6952 194.1191 212.6580 203.6700 198.7539 2.04_222.5591n 205.5558616 2.04 336.7397 363.4283 381.2117 444.7676 362.5905 359.5408 2.04_224.5586n 242.5633615 2.04 33.7707 88.2764 48.3415 56.2353 74.2293 55.0081 2.04_228.0753m/z 228.0752574 2.04 2954.3171 3828.0474 2822.1144 2389.7721 3258.9075 3849.2461 2.04_228.5767m/z 228.5766732 2.04 770.9302 774.4710 821.2625 971.7656 841.8253 850.9490 2.04_231.0842m/z 231.0842035 2.04 29284.7302 27618.0222 29420.5854 34205.0833 29565.1932 30377.7258 C10H17NO6 Linamarin Linamarin 16441 MEDIUM 2.04_284.5864n 267.5830828 2.04 224.9139 210.1866 235.2453 270.0636 228.5830 224.1265 2.04_309.1014m/z 309.1014069 2.04 664.9398 786.8857 639.3128 667.5123 674.3747 719.0926 2.04_326.6065n 327.6133806 2.04 78.9417 113.9815 105.1352 126.0251 111.4445 98.4954 2.04_439.1774m/z 439.1773935 2.04 1397.2233 1241.0029 1382.1648 1605.3065 1287.8473 1412.0293 2.04_441.1525m/z 441.152473 2.04 358.0219 368.2593 383.6497 448.4809 360.0207 373.4161 2.04_651.0901m/z 651.0901497 2.04 203.8882 195.6987 188.2091 184.8850 171.2459 162.2309 2.04_73.0289m/z 73.02887102 2.04 109.8417 92.8311 110.1851 135.2070 105.7389 105.5002 C3H6O3 D-Lactic acid HMDB01311 MEDIUM 2.05_101.0070m/z 101.0069792 2.05 109.2251 120.4317 89.0955 111.2502 114.9142 102.4811 2.05_110.0131m/z 110.0131243 2.05 325.1464 287.2734 325.5694 339.5722 319.7240 307.2653 2.05_175.5395m/z 175.5394958 2.05 35.6361 40.3521 29.5837 31.9374 45.4840 36.2594 2.05_178.5336n 196.5491486 2.05 46.4257 66.9539 43.6832 55.3687 45.2518 38.4442 2.05_336.5950m/z 336.594961 2.05 222.3280 213.1230 151.7564 233.8423 164.5159 182.1025 2.05_574.1490m/z 574.1490292 2.05 168.3776 167.1096 194.0542 225.9321 169.7967 166.1776 2.05_97.0292m/z 97.02919635 2.05 94.0923 90.6163 106.3281 143.5472 108.5451 100.0346 2.06_128.0246m/z 128.0245626 2.06 1377.9414 1352.1274 1321.9706 1297.3379 1346.0116 1393.1304 2.06_169.0243m/z 169.0242941 2.06 1300.2106 1207.6703 1292.9993 1303.5060 1298.5570 1301.8396 2.06_176.5525m/z 176.5524701 2.06 28.9494 35.6281 15.7421 23.2368 18.4572 34.4293 2.06_179.5591n 163.5364944 2.06 202.4919 280.6551 206.6635 193.2361 245.6150 242.0953 2.06_183.5419n 184.5481314 2.06 110.4663 128.7589 102.1636 112.4288 91.6524 129.3643 2.06_200.5554m/z 200.5554392 2.06 66.1496 55.5597 70.6275 66.9268 44.9366 41.8569 2.06_205.1368m/z 205.1368426 2.06 435.7918 492.7169 437.9914 515.1487 456.9446 492.8884 C9H17NOS Molinate MEDIUM 2.06_212.0543m/z 212.0542828 2.06 453.5816 456.0584 450.9243 441.4709 439.9282 462.2610 C7H11NO5 N-Acetylglutamic acid N-acetylglutamic acid HMDB01138 MEDIUM 2.06_226.5572m/z 226.5572488 2.06 68.1973 175.4836 105.8527 166.6782 128.3467 139.3820 2.06_232.5479m/z 232.5478861 2.06 297.7744 252.5468 273.0168 334.8284 260.6251 252.3197 2.06_254.5669n 238.5614152 2.06 85.3932 130.7366 101.7414 122.2534 100.2676 146.4795 2.06_609.2717m/z 609.2716779 2.06 156.1767 262.9001 204.8411 216.0822 210.4811 221.8130 2.06_87.0444m/z 87.04440791 2.06 105.1668 107.0877 93.8450 100.4158 106.5001 88.3181 2.07_121.0650m/z 121.0650335 2.07 662.5176 718.8995 666.2028 707.4782 688.9968 761.9970 C8H10O2 2-Phenoxyethanol 64275 MEDIUM 2.07_124.9919m/z 124.9918659 2.07 317.5178 219.6592 271.1098 268.7536 296.4102 271.7674 2.07_133.0329m/z 133.0329449 2.07 294.7368 287.2220 293.4853 333.9778 314.8833 308.5179 2.07_143.0032m/z 143.0032374 2.07 2363.2866 2144.9069 2232.1049 2418.4847 2207.0993 2260.8450 2.07_192.0652m/z 192.0652376 2.07 1420.6545 1409.1481 1393.4274 1440.6060 1366.9983 1411.3760 2.07_204.9797m/z 204.9797466 2.07 379.8192 316.6937 297.9993 317.1211 365.1082 318.3810 2.07_217.0413n 218.0467968 2.07 4863.1949 4866.0526 4830.7856 5126.7006 4824.1763 4864.2327 2.07_243.0626m/z 243.0625927 2.07 647.6982 659.0471 632.3052 609.2104 599.2485 624.5976 2.07_260.0584m/z 260.0583636 2.07 1182.9614 1450.2684 1084.2248 1017.9370 1180.9974 1277.9877 2.07_270.1079m/z 270.107876 2.07 6816.9999 7363.6573 7020.2521 7236.3013 7186.2029 7244.5968 2.07_319.0374m/z 319.0373761 2.07 750.0940 657.8891 732.3324 826.8893 715.5854 711.3781 2.07_374.1294m/z 374.1294029 2.07 1201.7219 1426.7418 1324.3887 1381.3475 1305.2349 1367.4878 2.09_165.0678n 166.0726456 2.09 10241.0513 11602.1477 10748.8854 10726.3726 10733.6719 11141.0740 2.09_240.5425m/z 240.5424943 2.09 47.5856 32.5700 20.1545 35.0730 25.2944 21.5302 2.09_240.9764m/z 240.9763933 2.09 376.3547 285.1312 359.8293 265.5356 341.5227 339.6404 2.10_185.0652m/z 185.0652474 2.10 2407.5301 2561.9715 2364.6486 2401.6311 2391.1805 2450.3578 2.10_208.5329m/z 208.5328624 2.10 97.5868 163.3708 105.5137 84.9967 97.7059 126.0559 2.10_215.1033m/z 215.1032702 2.10 343.6048 402.2613 302.1257 355.3790 370.0935 349.2528 2.10_246.1802m/z 246.1801641 2.10 114.0373 137.5292 107.3777 100.3339 123.2637 135.6750 2.10_361.2057m/z 361.2056833 2.10 673.5065 852.2729 783.6632 817.2511 775.5759 844.2795 2.10_442.2055m/z 442.205462 2.10 1682.3934 1892.1619 1751.8313 1708.3160 1788.5414 1754.5402 C16H28N2O11 "N,N?-Diacetylchitobiose" MEDIUM 2.11_233.0374n 234.0446548 2.11 3364.1669 3425.0414 3331.2808 3388.6850 3274.6076 3379.1776 2.12_133.0744n 116.0710977 2.12 4633.5529 4920.3129 4792.8845 4866.9441 4860.6209 4784.1484 2.12_261.0972m/z 261.0971634 2.12 4720.0427 5060.3800 4853.9967 5042.9827 4830.7568 4924.7224 2.12_289.1744m/z 289.174411 2.12 143.0351 129.7472 148.0545 129.1074 140.1804 131.0718 2.13_158.1453n 159.1494292 2.13 8805.9845 9150.2742 8725.5571 8993.0010 8800.9918 8986.6149 2.13_86.0607m/z 86.06066255 2.13 104.4878 105.4309 98.5385 100.5901 113.5899 110.2246 C4H9NO2 3-Aminoisobutanoic acid 3-amino-isobutanoic acid HMDB03911 MEDIUM 2.13_86.0971m/z 86.09705816 2.13 1049.3972 1107.7936 1048.0863 1117.7253 1067.4334 1123.6523 2.15_178.1104n 179.117913 2.15 7934.6844 7907.9457 7705.1297 7707.9164 7922.1004 8209.7219 2.15_357.2270m/z 357.2269681 2.15 274.7718 309.7178 303.7804 320.3544 273.3361 282.4808 C20H25N3O2 Methylergonovine 775307 MEDIUM 2.15_387.1873m/z 387.1873211 2.15 2682.4891 3269.5932 2977.5505 3145.9325 2975.3986 3043.9052 2.16_210.0767m/z 210.076736 2.16 1135.4306 1149.0030 1151.4702 1148.8671 1147.6809 1161.0765 2.17_124.0382m/z 124.0382467 2.17 76.5564 61.1386 40.0755 29.7487 62.1003 69.9429 C6H7NO3 Butenolide 4-Hydroxy-2-butenoic acid gamma-lactone MEDIUM 2.17_220.1188m/z 220.1188424 2.17 3923.7300 3898.9021 3978.7404 3764.4437 3923.3973 4044.3326 C9H17NO5 Pantothenic acid Pantothenic acid HMDB00210 MEDIUM 2.18_175.0274m/z 175.0274472 2.18 1063.8828 807.3024 1003.5625 1105.5653 1071.0814 846.7187 2.18_183.0558m/z 183.0558062 2.18 2092.8856 2245.7479 2127.2350 2081.0617 2124.9202 2212.4849 2.18_314.1133m/z 314.1132633 2.18 438.9006 461.5461 409.6303 432.2357 431.7668 440.9014 2.19_263.1074m/z 263.1073779 2.19 905.8311 845.5688 838.5457 788.4604 868.3334 924.6508 2.19_98.0605m/z 98.06045658 2.19 300.8032 296.3908 321.5285 332.0504 313.1194 297.4496 C5H9NO2 1-Amino-1-cyclobutanecarboxylic acid MEDIUM 2.20_144.9934m/z 144.9934079 2.20 132.5548 109.0247 140.7261 141.6266 157.2873 141.3803 2.20_149.0616m/z 149.0616205 2.20 188.0025 171.4923 96.1626 169.1978 166.1173 159.7702 2.20_180.0741m/z 180.0740777 2.20 1260.2640 1278.8869 1233.0905 1190.4142 1292.6853 1278.9547 2.20_274.1023m/z 274.1022995 2.20 7501.3980 8269.6892 7679.4484 7818.0782 7910.3129 7950.0729 2.20_291.1531m/z 291.1530581 2.20 431.4571 515.5748 506.1673 464.3538 465.2405 526.1765 2.21_124.9915m/z 124.991457 2.21 1096.5441 992.4343 1041.3993 1124.0620 1060.2015 1074.5749 2.21_158.9770m/z 158.9770009 2.21 562.3982 409.1989 501.7373 521.3999 418.4061 470.0250 C3H9AsO Trimethylarsine oxide 27131 MEDIUM 2.21_170.9966m/z 170.9966323 2.21 383.6991 288.7058 347.0030 379.0702 321.1497 336.1458 2.22_101.0060m/z 101.0059737 2.22 116.1840 114.8664 100.5049 106.4602 116.2524 120.1573 2.22_124.0527n 147.0483753 2.22 3518.3416 3626.3393 3523.7202 3615.8956 3530.4874 3564.5431 2.22_215.1016m/z 215.1016112 2.22 769.9014 869.4429 846.3541 826.0676 821.5445 759.6866 C9H11NO4 DL-Dopa HMDB00609 MEDIUM 2.22_240.9764m/z 240.9764021 2.22 164.5937 145.1093 171.3911 155.3524 155.1318 111.1478 2.23_185.0422m/z 185.0422284 2.23 3195.8966 3329.1618 3049.6523 2978.1097 3123.9763 3226.0649 2.23_499.1150m/z 499.1150374 2.23 4359.3984 5181.2185 4811.9161 4784.5512 4674.4107 4716.4777 2.23_80.0500m/z 80.05003953 2.23 59.1076 59.9413 61.5096 64.1049 65.0345 58.9017 2.23_87.0445m/z 87.04447733 2.23 570.7018 605.7627 587.3945 594.4117 597.9309 579.0889 C4H8O3 Alpha-Hydroxyisobutyric acid 2-hydroxyisobutyric acid HMDB00729 HIGH 2.24_147.5292m/z 147.5291579 2.24 155.3187 152.3423 164.5678 148.7588 146.7801 151.0142 2.24_163.0761m/z 163.0761016 2.24 92.2435 104.1099 105.4152 114.5202 94.6635 82.6057 2.24_174.1242m/z 174.1242402 2.24 35316.7080 37193.5527 36080.0835 37004.7513 36299.8949 37186.0465 C7H12N2O2 (2Z)-1-Ethyl-2-(nitromethylidene)pyrrolidine MEDIUM 2.24_177.1027m/z 177.1026508 2.24 13722.4611 14154.1652 13843.2241 14227.1892 13654.0469 14094.8603 C10H12N2O Cotinine Cotinine HMDB01046 486-56-6 HIGH 2.24_221.5524m/z 221.5523529 2.24 39.9570 39.3153 44.9674 26.4417 32.7783 49.0399 2.24_229.5379m/z 229.5379206 2.24 572.7504 532.6849 552.6846 562.4680 536.3827 590.2439 2.24_246.0650n 269.0366779 2.24 1262.5118 1172.5921 1267.9535 1185.7977 1230.5948 1227.8175 2.24_275.1222m/z 275.122188 2.24 3705.7481 4256.0609 3798.1997 3957.6461 3816.7522 3753.7489 2.24_365.1730m/z 365.1730089 2.24 5846.3624 6927.7743 6254.2154 6619.3180 6385.5779 6518.6282 2.24_71.0608m/z 71.06081795 2.24 89.9970 111.9199 102.5064 98.2603 109.6198 99.1984 C3H6N2 Beta-Aminopropionitrile 27413 MEDIUM 2.25_104.0710m/z 104.0709888 2.25 184.1577 206.8635 202.2424 197.1821 199.9993 193.0339 C4H9NO2 3-Aminoisobutanoic acid 3-amino-isobutanoic acid HMDB03911 MEDIUM 2.25_138.5237m/z 138.5236698 2.25 97.9254 85.8053 107.7968 97.4672 89.2921 90.0478 2.25_174.0768m/z 174.0767774 2.25 97.2175 80.8885 82.1092 92.9855 95.9144 89.0381 2.25_174.1618m/z 174.1617966 2.25 231.8628 253.6007 262.6201 227.6002 236.1556 209.5750 2.25_174.2311m/z 174.2310932 2.25 183.2146 243.0314 165.0047 217.6698 142.9484 153.2615 2.25_178.0502m/z 178.0502255 2.25 94.1636 108.9234 99.6335 102.3766 110.7495 106.4190 2.25_86.0607m/z 86.06074386 2.25 126.9091 133.4611 133.4657 136.8130 134.3938 131.2918 C4H9NO2 3-Aminoisobutanoic acid 3-amino-isobutanoic acid HMDB03911 MEDIUM 2.26_134.0296m/z 134.0296224 2.26 267.5932 273.0183 274.0512 281.2178 308.3866 290.8716 C5H10O5 D(-)Arabinose Lyxose MEDIUM 2.26_156.1382m/z 156.1382006 2.26 280.8674 273.2861 294.2076 308.5091 292.9842 267.8042 2.26_159.0917m/z 159.0916991 2.26 262.6632 352.1247 293.1882 281.0027 310.2427 293.5318 2.26_182.1281m/z 182.1281118 2.26 959.1379 1028.9905 998.0130 995.1604 1026.6126 1036.3765 2.26_184.5423m/z 184.5423031 2.26 48.6615 32.5246 40.0020 49.7686 49.5481 33.4719 2.26_208.5341m/z 208.5341439 2.26 93.7689 90.5856 99.7487 108.0367 106.7483 93.9307 2.26_242.0622m/z 242.0622234 2.26 404.0966 462.7284 427.3667 404.4984 411.7463 447.4080 C8H13NO6 O-Succinyl-L-homoserine O-succinylhomoserine HIGH 2.26_260.1476m/z 260.1475546 2.26 140.1107 170.7449 102.9376 113.8622 121.3826 133.3715 2.26_261.0971m/z 261.0971136 2.26 2556.0460 2527.3719 2581.9748 2778.7526 2522.8530 2569.1382 2.26_94.0336m/z 94.03361741 2.26 169.7713 189.7541 173.4902 170.8329 173.2173 175.9532 2.26_99.0446m/z 99.04455719 2.26 74.8435 79.4263 93.4663 97.1130 82.9872 68.3834 C5H8O3 2-Oxovaleric acid HMDB01865 MEDIUM 2.27_245.1599m/z 245.1599221 2.27 1794.7586 1983.2667 1875.0966 1828.6391 1853.0496 1901.7520 2.28_168.0662m/z 168.066174 2.28 1350.0599 1354.0875 1370.9916 1317.5443 1345.8312 1338.9150 C8H9NO3 2-Hydroxyphenyl methylcarbamate MEDIUM 2.28_629.7103m/z 629.7103 2.28 79.0882 85.2331 81.7495 99.8156 80.2141 80.1230 2.29_121.0652m/z 121.0651833 2.29 402.3723 417.9064 411.9054 424.8362 428.3642 416.0964 2.29_145.0501m/z 145.0501268 2.29 2575.8880 2911.1305 2671.2557 2797.2653 2665.0114 2750.5606 2.29_171.0878m/z 171.0878036 2.29 12400.1297 13203.9930 12720.2234 13016.6986 12653.0909 12740.8112 2.29_397.1057m/z 397.1057073 2.29 10098.5153 11280.4958 10622.5806 10706.7830 10610.6370 10612.1687 2.31_138.0919m/z 138.0919314 2.31 452.4123 417.6564 476.3207 544.0205 491.4480 462.5152 C8H8O Phenylacetaldehyde Phenylacetaldehyde 16424 HIGH 2.32_184.5889m/z 184.5889419 2.32 95.9169 104.3030 108.0810 91.8072 105.7786 111.0095 2.32_218.1387m/z 218.1387132 2.32 17593.9361 18853.2026 17837.1706 18390.7896 18582.8610 18397.3235 C15H22O2 Scirpene MEDIUM 2.32_432.1865m/z 432.1865305 2.32 1569.7211 2086.7232 1782.4056 1892.5719 1769.0700 1819.0405 2.32_677.1966m/z 677.1965607 2.32 300.5982 371.9899 350.2366 359.7833 304.4186 315.6512 2.32_85.0289m/z 85.0289337 2.32 836.3870 953.2732 848.6700 883.1828 858.5391 895.9192 2.33_269.1473m/z 269.1473249 2.33 924.9249 929.4042 950.8416 1033.3839 905.0746 920.0541 2.33_351.6653m/z 351.6653409 2.33 92.7993 121.6605 72.6029 103.9817 104.3984 115.0796 2.34_146.0307m/z 146.0306792 2.34 219.7216 205.2146 192.6945 193.3717 210.8578 206.4133 2.34_220.5575m/z 220.5575434 2.34 31.5594 40.6239 51.1324 30.4553 35.7673 58.0603 2.34_621.7128m/z 621.7127905 2.34 74.6814 70.6230 72.9100 75.7088 74.0343 69.4848 2.34_622.2137m/z 622.2137394 2.34 36.6646 34.3956 38.8394 34.4635 33.3288 24.0055 2.35_112.0510m/z 112.0510498 2.35 2835.0874 2992.2325 2883.1617 2909.6937 2909.8008 2930.0400 2.35_258.1084m/z 258.1084106 2.35 2375.9808 2488.2356 2402.3377 2492.6496 2381.5763 2419.0639 C10H12N2O5 "(ñ)-2-(1-Methylpropyl)-4,6-dinitrophenol" MEDIUM 2.35_515.2102m/z 515.2101603 2.35 4645.3493 4952.5238 4696.3624 4881.6911 4697.9861 4909.9667 2.35_537.0842m/z 537.0841894 2.35 145.2968 144.5386 138.1553 111.6200 116.5656 107.3239 2.36_241.1546m/z 241.1545956 2.36 165081.5427 174762.8924 168431.1572 171291.8107 172831.2862 174716.1153 C12H17NO3 Cerulenin Cerulenin 171741 HIGH 2.36_282.0454m/z 282.0454164 2.36 2091.5605 2179.6700 2129.2747 2316.2443 2231.5322 2190.7987 2.37_118.0868m/z 118.0868211 2.37 491.7773 468.0823 457.3578 474.1398 470.6008 455.2644 C5H11NO2 5-Aminopentanoic acid 5-Aminopentanoic acid HMDB03355 HIGH 2.37_187.1080m/z 187.1079775 2.37 2008.2287 2131.4597 2063.4984 2116.1956 1983.5926 2119.5865 2.37_206.0848m/z 206.0847638 2.37 578.7676 666.2650 520.2761 536.2598 568.4222 629.1972 2.37_233.1133m/z 233.1132553 2.37 3241.3191 3525.2097 3196.2779 3411.3350 3311.0057 3336.1752 2.37_253.1124m/z 253.1123768 2.37 1174.8411 1196.8035 1109.4627 1163.8260 1109.3107 1215.4862 2.37_300.1556m/z 300.1556164 2.37 6155.6894 6361.6591 6271.9766 6313.4386 6315.7712 6365.5037 C16H23NO3 Promacyl MEDIUM 2.37_369.0503m/z 369.0502616 2.37 703.7903 834.2078 699.8482 732.4293 730.1118 756.4519 2.37_93.0144m/z 93.0144001 2.37 156.5871 140.5332 153.0555 161.8267 147.6856 144.3433 2.38_298.1489m/z 298.1489232 2.38 371.7786 450.2694 376.6688 453.5841 444.9394 479.1478 2.39_100.0763m/z 100.0762556 2.39 136.0798 159.5198 135.4851 157.2299 149.2074 139.9786 C5H9NO 2-Piperidinone 2-Piperidinone HMDB11749 MEDIUM 2.39_107.0602m/z 107.0602274 2.39 205.5235 203.8408 196.9203 207.2648 198.5917 183.2831 2.39_149.0717m/z 149.0716806 2.39 987.0873 1087.6550 955.6565 951.4796 990.3249 1043.2050 2.39_158.1457n 142.1231145 2.39 287.7786 262.0364 296.0593 313.8028 311.8209 301.7983 2.39_227.1749m/z 227.1749491 2.39 766.4011 861.7257 813.4266 864.0508 886.9396 810.7323 C12H19NO2 Octyl cyanoacrylate MEDIUM 2.40_121.0683m/z 121.0682808 2.40 476.3133 496.7480 466.9078 499.1786 496.2647 484.7387 2.40_236.1135m/z 236.1134569 2.40 1324.2875 1309.4715 1344.2163 1345.2118 1336.3801 1299.5421 2.40_374.6162m/z 374.6162456 2.40 38.4871 50.2949 35.5885 37.1027 45.1498 47.6739 2.40_449.6435m/z 449.6435473 2.40 19.5524 41.7727 35.5895 41.4691 54.9963 48.3102 2.40_742.2689m/z 742.2689169 2.40 261.9883 298.8217 231.8784 265.3235 249.2119 274.4182 2.40_742.6028m/z 742.6027796 2.40 148.7046 162.4840 144.3661 194.6274 117.8354 152.7808 2.40_754.5833m/z 754.5832834 2.40 143.6338 218.7436 166.6728 191.1647 176.6806 214.4109 2.40_985.8251m/z 985.8251082 2.40 67.0610 95.7203 108.8736 89.5672 122.4997 100.3895 2.41_413.8348m/z 413.8347593 2.41 257.2031 267.9304 262.6187 251.2859 288.9174 290.4732 2.41_414.5027m/z 414.5027338 2.41 48.1552 35.7566 48.7459 50.7883 43.5612 46.0193 2.41_601.2758m/z 601.2758344 2.41 1773.3329 2356.8431 2146.8234 1996.6328 2067.9549 2199.5972 2.41_601.7773m/z 601.777301 2.41 900.4621 1116.9662 1064.9748 1006.9387 1054.9899 1083.4859 2.41_620.2488m/z 620.2487743 2.41 119.0116 201.4353 175.0720 188.4594 176.7877 170.9656 2.41_731.2559m/z 731.2559344 2.41 404.0462 533.2443 494.5547 464.2201 502.6080 473.6266 2.41_741.9352m/z 741.9352148 2.41 254.2357 370.1225 290.1497 356.7917 308.0829 353.5093 2.41_754.9180m/z 754.9180444 2.41 127.5321 154.3656 160.5267 145.9608 108.1671 170.5888 2.41_755.2514m/z 755.2513597 2.41 76.9453 80.7060 92.6000 55.9066 83.0514 73.7658 2.42_174.0837n 175.0874375 2.42 9741.2762 10588.0407 9987.0197 10074.7836 10209.2505 10443.5593 2.42_220.0855n 203.0822342 2.42 26565.1929 29688.7364 27682.9335 28140.7336 28337.8403 29064.7681 C11H12N2O3 5-Hydroxy-L-tryptophan 5-Hydroxy-L-tryptophan HMDB00472 HIGH 2.42_261.0536m/z 261.0536101 2.42 1072.7682 1116.5710 1087.2316 1108.8624 1143.3766 1103.9951 2.42_277.0851m/z 277.0850735 2.42 735.9646 882.2601 772.5289 805.8654 801.7235 791.8550 2.42_591.1066m/z 591.1066494 2.42 154.0015 179.2306 148.0311 137.8209 148.9338 140.9555 2.42_620.7504m/z 620.7504497 2.42 52.6268 85.1064 57.9016 44.7948 67.8014 75.3298 2.42_624.1883m/z 624.1883191 2.42 515.4894 654.8006 562.6102 566.3497 597.1630 592.3359 2.43_130.1232m/z 130.1231509 2.43 294.6989 333.7154 276.9273 316.8297 306.1583 319.5865 C7H12O 2-Heptenal MEDIUM 2.43_132.0452m/z 132.0451763 2.43 1503.1396 1638.4542 1515.6871 1554.6656 1546.9484 1583.5327 2.43_136.0737m/z 136.0737273 2.43 943.7296 1033.3665 937.7766 958.6977 947.0403 994.2478 2.43_156.1136m/z 156.1136034 2.43 390.0412 373.9982 364.0177 392.9071 362.0703 403.9116 2.43_305.0612m/z 305.061248 2.43 914.2837 928.6843 852.2306 876.0309 885.0818 937.1100 2.44_139.0485m/z 139.0484962 2.44 2034.7394 2344.9588 1690.8274 1625.5831 1909.3627 2205.7425 2.44_186.0211n 187.0284568 2.44 1726.4802 1803.9663 1662.7181 1637.7094 1631.6473 1721.0705 2.44_216.0714n 199.0680841 2.44 4294.9002 4377.3425 4335.4304 4496.6663 4326.7543 4352.9335 2.44_263.1136m/z 263.1135866 2.44 3304.7407 3630.1063 3496.5911 3577.7424 3471.1232 3538.3213 2.44_267.1331m/z 267.1330677 2.44 1542.6804 1692.7496 1586.9174 1640.9125 1643.4955 1692.6255 C13H18N2O4 Chlorprocarb MEDIUM 2.44_276.1443m/z 276.1443286 2.44 70057.6480 77418.1370 74100.7585 73994.0592 76716.0467 76477.1385 C17H24O4 Trichodermin MEDIUM 2.44_276.1935m/z 276.1934921 2.44 456.8076 451.0866 566.6961 485.2199 525.2975 567.9509 2.44_276.2803m/z 276.2803226 2.44 832.7442 982.3976 898.3924 861.7146 845.4438 766.2421 2.44_319.0838m/z 319.0838034 2.44 869.1623 848.6283 844.6580 882.9487 857.7168 883.1605 2.44_428.1892m/z 428.1891514 2.44 185.2095 223.9898 209.3313 224.1963 199.1447 188.3838 2.44_617.2411m/z 617.2410734 2.44 759.5947 978.7047 850.2651 869.7432 847.6357 832.7448 2.44_94.0349m/z 94.03494254 2.44 67.5540 80.5750 78.0485 77.4756 78.0901 81.7295 2.45_171.0678m/z 171.0678212 2.45 816.6647 763.2947 896.1770 965.4525 880.1357 858.5315 2.45_375.2233m/z 375.2233139 2.45 195.6500 225.2013 192.4354 187.4293 172.9752 197.4595 2.45_430.1962m/z 430.1962349 2.45 532.3655 685.0926 643.9042 616.7570 611.5395 612.6213 2.45_430.6997m/z 430.6997434 2.45 109.9688 136.0408 111.2810 99.3109 105.1589 114.8462 2.45_478.1667m/z 478.1666916 2.45 363.5755 437.8810 365.8284 431.0313 380.6406 414.8524 2.45_95.0514m/z 95.05137972 2.45 123.6328 113.2149 136.2381 131.9692 139.9795 121.6520 2.46_164.9864m/z 164.9863799 2.46 1321.0346 1201.8161 1225.4594 1265.4819 1252.5963 1326.9283 2.46_244.9425m/z 244.9425228 2.46 510.0432 395.2206 461.5050 457.6872 464.6180 438.0111 2.46_250.9600m/z 250.9600176 2.46 379.0206 271.7960 318.4191 349.0014 311.6311 335.9251 2.46_285.0506m/z 285.0506348 2.46 970.0603 1075.8458 838.5005 786.9129 913.0934 1028.0490 2.47_141.0014m/z 141.0013567 2.47 140.8511 121.1498 140.6099 157.6780 106.7538 118.1068 2.47_180.9592m/z 180.9592096 2.47 256.5805 176.6741 197.5489 209.5079 215.4480 226.0607 2.47_758.2221m/z 758.2220762 2.47 81.7336 134.7859 151.1276 144.7568 82.5624 117.1503 2.48_103.0670n 87.04437838 2.48 1329.9216 1375.5038 1241.5856 1300.1223 1327.4828 1354.1527 2.48_145.0502m/z 145.050163 2.48 3660.4749 3894.5917 3650.4449 3700.8222 3764.7618 3826.5971 2.48_174.1244m/z 174.1244461 2.48 45458.0438 48087.3715 45723.4242 46294.4360 48142.1145 49133.2858 C7H12N2O2 (2Z)-1-Ethyl-2-(nitromethylidene)pyrrolidine MEDIUM 2.48_205.0532m/z 205.0532117 2.48 5356.2001 5464.5478 5371.6881 5457.9545 5435.9158 5598.4702 2.48_438.1068m/z 438.1067936 2.48 1302.9606 1508.1566 1323.5869 1358.7438 1344.2003 1411.3028 2.48_85.0288m/z 85.02881616 2.48 666.5995 743.4543 698.3713 728.9084 730.7204 730.7632 2.48_87.0836n 110.0662123 2.48 558.8159 606.3752 540.9318 543.8578 560.4168 598.3476 2.49_193.0741m/z 193.0740812 2.49 1230.1776 1316.4753 1251.5908 1303.8058 1252.3902 1301.5943 2.49_219.9588m/z 219.9588134 2.49 314.9767 242.4882 284.8538 272.4027 299.2450 315.9421 2.49_247.9535m/z 247.9535006 2.49 380.6602 260.1379 349.0279 340.9872 321.6279 349.7271 2.49_261.9844m/z 261.9844277 2.49 334.7133 236.7511 372.7759 371.6699 363.0335 303.6387 2.49_88.0874m/z 88.08743491 2.49 57.4813 37.0544 61.4427 62.8957 59.4429 51.7525 C3H6N2 Beta-Aminopropionitrile 27413 MEDIUM 2.50_195.9939m/z 195.9939481 2.50 89.2445 67.9871 81.2308 43.2846 73.2545 94.1913 2.50_245.1605m/z 245.1604715 2.50 7754.0463 8408.0847 7370.0705 6904.8466 7992.8217 7869.2141 2.51_144.0658m/z 144.0658324 2.51 1933.3304 2006.6569 1865.1001 1905.9506 1925.3400 1950.9295 C6H6O3 "1,2,4-Benzenetriol" "1,2,4-benzenetriol" MEDIUM 2.51_167.1183m/z 167.1182613 2.51 194.0188 213.2641 186.1230 196.7047 171.3336 186.1192 2.51_213.1220m/z 213.122016 2.51 342.8813 385.8844 370.9983 353.4643 381.6504 342.5359 2.51_225.0852m/z 225.085236 2.51 625.6393 1056.3315 530.0893 621.7290 569.5979 831.7189 2.51_258.9545m/z 258.9545358 2.51 296.3020 229.9970 285.0554 276.0069 316.3612 244.7281 C8H10AsNO5 Acetarsol MEDIUM 2.51_579.0410m/z 579.0409704 2.51 339.5988 414.1471 316.1602 385.5286 330.6671 352.5676 2.51_98.0605m/z 98.0605255 2.51 332.5330 337.9597 336.7682 357.3295 365.3491 357.3266 C5H9NO2 1-Amino-1-cyclobutanecarboxylic acid MEDIUM 2.53_195.0679n 218.0801269 2.53 5575.5768 5543.4943 5590.2036 5735.9352 5499.3457 5447.2441 2.53_369.0438m/z 369.0438398 2.53 1012.0329 1077.2600 1052.3738 1058.2065 1069.6985 1055.2425 2.53_433.1207m/z 433.120713 2.53 1360.6165 1479.4420 1395.1108 1443.2225 1383.9066 1339.6249 2.54_139.0069m/z 139.0069013 2.54 353.7275 279.7932 354.5686 386.9937 328.6158 340.3133 2.54_168.0640m/z 168.0639835 2.54 10432.4747 9833.3982 10324.9694 10878.6651 10161.6847 10608.2535 2.54_200.0058m/z 200.005848 2.54 1191.0307 1301.2141 1046.7077 1110.7569 1133.2478 1228.4297 2.54_225.1505n 226.1542064 2.54 3225.0151 3696.6359 3281.2304 3318.1134 3243.4503 3578.2404 2.54_328.0909n 329.1042995 2.54 4779.8813 5237.9182 4824.8042 5053.6188 4806.4590 5077.1736 2.54_422.2101m/z 422.2101419 2.54 320.1684 422.1190 393.6328 412.3026 379.6265 423.1860 2.54_86.0607m/z 86.06072879 2.54 241.8696 243.9575 249.6003 259.8621 237.5870 252.5079 C4H9NO2 3-Aminoisobutanoic acid 3-amino-isobutanoic acid HMDB03911 MEDIUM 2.55_104.0308m/z 104.030795 2.55 128.2907 148.3971 104.0141 84.1878 101.2393 131.3649 2.55_124.0075m/z 124.0075297 2.55 128.8600 79.3643 132.0561 135.3351 133.4677 102.5867 2.55_185.0919m/z 185.0919253 2.55 3045.8628 3031.9572 3098.3767 3062.0625 3058.5419 3065.0414 C8H14N2O4 L-Coprine Coprine MEDIUM 2.55_269.0447m/z 269.0446996 2.55 856.3832 704.8463 797.4635 848.2638 781.3936 747.4556 2.55_271.0898m/z 271.0897887 2.55 4389.0465 4513.8437 4516.8065 4603.1706 4447.7933 4536.0943 2.55_70.0655m/z 70.06548993 2.55 170.2255 181.4947 171.8829 192.0391 186.1532 173.0599 C4H7N Butyronitrile 51937 MEDIUM 2.56_189.0428m/z 189.0428215 2.56 1043.8627 1035.0324 922.9431 927.2914 932.5918 1002.8012 2.58_138.0916m/z 138.0915618 2.58 606.8757 668.3770 629.4950 642.4896 649.8900 642.1207 C8H11NO Tyramine Tyramine 15760 MEDIUM 2.58_150.0549n 151.0621676 2.58 27164.2508 28769.7284 27681.7120 28066.0072 27804.1328 28655.3954 2.58_157.0622m/z 157.0622422 2.58 318.4900 271.2315 340.5465 355.0354 347.6147 312.3991 2.58_260.1492m/z 260.1491854 2.58 23770.8225 27051.7158 25077.7036 25348.8493 25658.7365 26267.2904 C17H24O3 Onchidal MEDIUM 2.58_94.0390m/z 94.03895471 2.58 185.8136 174.9303 184.5954 177.1301 183.7049 191.3325 2.58_99.0444m/z 99.0444353 2.58 224.6597 244.8556 249.8729 243.5376 243.9814 225.4189 C5H8O3 2-Oxovaleric acid HMDB01865 MEDIUM 2.59_114.0211m/z 114.0210999 2.59 85.2425 58.2972 68.3393 66.5630 73.6237 69.3566 2.59_153.0439n 136.040647 2.59 34078.2612 37456.8873 34776.8363 35053.6113 35070.3646 36192.6427 C7H7NO3 3-Hydroxyanthranilic acid 3-Hydroxyanthranilic acid HMDB01476 HIGH 2.59_172.5404m/z 172.540421 2.59 31.9109 37.5852 34.1629 32.1220 31.0531 26.0998 2.59_175.0484m/z 175.0483589 2.59 5446.0724 4434.9827 5060.9668 5312.3148 4962.6621 5147.0726 2.59_284.0746m/z 284.0746075 2.59 812.2458 773.1626 832.9433 834.8583 810.9892 788.1548 2.59_365.1768m/z 365.176817 2.59 508.3133 667.8824 537.4775 557.8890 579.4605 528.9666 2.59_92.0499m/z 92.04991232 2.59 223.5870 281.5034 226.2715 228.5403 235.7617 245.6706 C6H7NO 4-Aminophenol 4-Aminophenol HMDB01169 HIGH 2.59_95.0135m/z 95.01348876 2.59 219.3235 210.1816 213.8732 215.1362 224.6881 196.4858 2.59_960.6752m/z 960.6752059 2.59 71.2360 149.9996 53.2276 75.1859 87.4002 119.4887 2.59_961.0086m/z 961.0085866 2.59 124.7581 181.8480 147.4957 197.4149 164.5262 179.8258 2.59_961.3439m/z 961.3438989 2.59 61.3565 91.5602 56.0190 90.7998 71.9566 91.4901 2.60_186.0564m/z 186.0564022 2.60 3016.9211 2789.5370 3023.7715 3160.0220 2970.5276 2990.9176 2.61_105.0161m/z 105.0161013 2.61 54.0060 41.5242 66.3175 79.2856 59.8658 51.5290 2.61_173.0787m/z 173.0786655 2.61 3747.2685 3476.1218 3583.1267 3752.8414 3561.0374 3667.5817 2.61_195.0763m/z 195.0762932 2.61 3096.6860 3252.0792 3188.5401 3199.5306 3204.9914 3205.8398 2.61_314.0857m/z 314.0857016 2.61 3936.7100 4321.5906 3988.7785 4086.4306 4020.5773 4130.2948 2.61_438.1068m/z 438.1067617 2.61 1453.3604 1747.7864 1523.9188 1598.6156 1565.0955 1607.7544 2.62_125.0229m/z 125.0228694 2.62 239.2726 247.8993 221.6025 215.2039 214.8542 220.1458 C6H6O4 trans-trans-Muconic acid HMDB02349 MEDIUM 2.62_263.0443m/z 263.0443494 2.62 1643.8545 1611.0451 1609.6439 1671.8889 1575.3844 1705.8185 C10H12N2O3S Bentazon MEDIUM 2.62_268.1038m/z 268.1038114 2.62 6259.4792 7013.8302 6858.1294 6882.8937 6979.1330 6963.5190 C10H13N5O4 Adenosine Adenosine HMDB00050 HIGH 2.62_375.2225m/z 375.2225378 2.62 494.0291 679.7823 512.4504 576.9024 533.7410 581.4160 2.63_306.1069m/z 306.1068744 2.63 998.4112 1121.5489 1039.1773 1077.0116 1026.7357 1059.9200 C14H15N3O5 Entacapone 4798 MEDIUM 2.64_196.1328m/z 196.1328394 2.64 250.3680 282.5165 251.9432 266.5110 247.7130 260.7221 C11H14O2 Methyleugenol Methyleugenol 4918 MEDIUM 2.65_108.0448m/z 108.044788 2.65 1538.8492 1576.4875 1469.9649 1527.3629 1512.1077 1550.1817 2.65_110.0606m/z 110.0606077 2.65 1887.7406 1890.5574 1936.9457 2023.7366 1937.8405 1911.2256 C6H7NO 4-Aminophenol 4-Aminophenol HMDB01169 HIGH 2.65_153.0672m/z 153.0671506 2.65 136465.6632 134174.5990 137540.6806 141678.1337 139847.4779 141773.3044 C7H8N2O2 N-(Hydroxymethyl)nicotinamide HIGH 2.65_153.1672m/z 153.1672291 2.65 4017.4774 4144.3993 3941.4958 4128.9745 4021.8400 4032.3566 2.65_209.0015m/z 209.001517 2.65 564.8202 445.2663 522.3248 525.0751 520.3089 507.0659 2.65_221.0416m/z 221.0415628 2.65 484.8470 390.6697 517.2838 511.3072 457.4585 471.9192 2.65_248.5696m/z 248.5695765 2.65 218.1547 237.2024 239.7000 249.0543 249.8583 247.6680 2.65_268.9887n 252.9905863 2.65 1275.1481 1096.7263 1208.5288 1214.7285 1207.1523 1229.1267 2.65_284.0094m/z 284.0093837 2.65 406.2543 261.5946 385.9051 400.9669 375.1743 407.2214 C7H11NO7P2 Risedronate 183772 MEDIUM 2.65_366.0862n 389.0766192 2.65 6956.0379 6729.8228 6737.8218 6923.5230 6829.5756 6964.9195 2.65_374.0989m/z 374.0988698 2.65 957.2036 1116.3103 907.1341 909.6933 959.5396 971.6932 2.65_406.0536m/z 406.0535538 2.65 2037.0722 2149.0118 2006.6100 2128.4817 2002.4647 2090.7347 2.65_441.0486m/z 441.0485746 2.65 835.3552 751.3250 770.0139 810.3319 755.5615 795.2962 2.65_455.1126m/z 455.1125593 2.65 2544.7774 2782.0053 2434.8366 2517.1861 2535.9500 2626.3440 2.66_194.1063m/z 194.1062608 2.66 499.6131 600.1208 486.7328 502.5218 499.2737 535.9343 C13H13N3 Varenicline MEDIUM 2.66_307.0515m/z 307.051541 2.66 559.0557 474.7205 509.9641 563.6054 522.9953 525.1442 2.66_673.0525m/z 673.0524788 2.66 247.3685 341.4698 235.6352 257.9644 270.1402 263.3690 2.66_84.0450m/z 84.04501779 2.66 92.9278 101.6741 100.7576 100.1263 97.5835 103.2324 2.67_294.0146m/z 294.0145695 2.67 522.8509 437.4581 535.4018 527.3696 520.1891 518.4447 2.67_332.0919m/z 332.0919452 2.67 5166.9902 5392.9753 5351.8904 5398.8658 5244.6229 5346.5747 2.67_430.1610m/z 430.1609603 2.67 700.2816 814.1779 715.0937 751.5611 732.9379 738.5534 2.67_456.6516m/z 456.6515989 2.67 95.0346 126.2061 97.2649 104.8097 94.7162 105.9163 2.67_513.1242m/z 513.1242169 2.67 1634.9384 1888.1418 1677.2493 1712.5789 1622.0204 1751.3813 2.67_635.0991m/z 635.0991307 2.67 1547.8586 1950.5128 1585.5082 1672.8728 1656.7007 1672.7620 2.67_873.3454m/z 873.3453549 2.67 578.0145 858.0446 620.7402 690.5245 693.1599 678.3512 2.68_269.1473n 270.1558514 2.68 1098.8710 1082.9590 1055.1873 1099.3968 1087.5808 1100.9114 2.69_159.0898n 182.0790964 2.69 6852.9386 6726.1202 6715.8490 6741.0461 6637.3258 7028.8590 2.69_238.1531m/z 238.1531391 2.69 231.4294 280.2079 176.1490 224.7823 213.1223 224.6419 2.69_244.0516m/z 244.051633 2.69 549.6957 493.3965 528.1241 560.7672 480.2561 560.3671 2.69_320.1452m/z 320.1452219 2.69 626.9855 652.1165 660.2844 682.4002 687.7158 634.6059 2.69_594.6920m/z 594.6920251 2.69 133.4406 152.6880 123.7721 154.8314 140.3690 179.5407 2.70_132.0432m/z 132.0431963 2.70 498.6597 483.2827 502.4763 461.9264 487.2335 505.1731 2.70_161.0742n 184.0608799 2.70 18983.1883 20150.3232 18773.2400 19170.2900 19189.7886 19747.7778 2.70_165.0431n 166.0503695 2.70 18213.0350 19301.8610 18765.1124 19048.8691 18736.8254 19109.0240 2.70_180.5202m/z 180.5201954 2.70 75.6357 62.0002 56.9186 51.5287 47.4811 60.2849 2.70_375.0022m/z 375.0021771 2.70 1195.3157 1050.0174 1119.5543 1154.1545 1155.6508 1148.1375 C10H12N5Na2O7P Adenosine 5'-Monophosphate Disodium MEDIUM 2.70_558.1388m/z 558.1388447 2.70 1990.9800 2333.1810 2051.4645 2051.7681 2045.3386 2076.8679 2.70_581.0183m/z 581.018274 2.70 357.8735 404.1656 340.3589 336.3471 347.3579 366.4753 2.70_601.6978m/z 601.6977771 2.70 324.9349 379.7166 294.6199 321.9127 317.8212 372.2966 2.70_679.1030m/z 679.1030101 2.70 1784.2675 2094.3789 1884.8068 1963.9131 1945.2521 1967.3874 2.70_695.0823m/z 695.0823238 2.70 969.3002 1281.5020 1093.9058 1041.0911 998.1671 1097.4707 2.71_112.0508m/z 112.0508455 2.71 576.4299 645.4563 559.2643 557.8665 570.1388 608.1011 C4H7N3O2 2-(Nitromethylene)imidazolidine MEDIUM 2.71_189.0252m/z 189.0251893 2.71 781.1479 700.3717 728.6499 736.7243 811.8142 786.0242 2.71_189.5253m/z 189.5253423 2.71 37.8214 28.1575 42.1486 47.8284 42.1720 50.5021 2.71_252.5408m/z 252.5407747 2.71 78.0167 84.3427 84.0120 87.0149 81.3191 96.1797 2.71_286.1289m/z 286.1288681 2.71 22415.7737 24714.2859 23653.0235 23944.8976 24205.3216 24502.9622 C18H22O4 Masoprocol MEDIUM 2.71_340.5566m/z 340.5565636 2.71 30.5093 25.2277 41.6657 35.8541 21.3705 26.0189 2.71_343.0638m/z 343.0637643 2.71 11878.2344 12975.1912 12255.5329 12478.8940 12366.5750 12696.4646 2.71_658.0915m/z 658.091466 2.71 600.5829 767.4916 695.4869 658.0366 646.5125 709.5572 2.71_81.0347m/z 81.03472372 2.71 69.4667 64.8917 63.0348 68.3107 67.4973 73.6675 2.71_99.0446m/z 99.04455764 2.71 412.4558 452.9739 428.3729 434.0414 423.4681 432.3306 C5H8O3 2-Oxovaleric acid HMDB01865 MEDIUM 2.72_138.0920m/z 138.0919886 2.72 452.5868 527.0321 468.0067 527.9028 535.6894 474.6773 2.72_184.0971m/z 184.0971426 2.72 551.7535 648.7688 515.2826 532.9887 609.9195 622.8904 C9H13NO3 Normetanephrine Normetanephrine HMDB00819 HIGH 2.72_304.1737m/z 304.1737414 2.72 1279.0509 1449.3539 1349.9145 1432.6004 1353.4072 1470.4142 2.72_322.0388m/z 322.0388394 2.72 2931.0555 3007.6263 2809.9662 2906.5478 2931.8913 2963.2200 C9H15N4O8P AICAR AICAR HMDB01517 HIGH 2.72_394.6280m/z 394.6280195 2.72 657.2768 679.9647 717.3773 685.7072 726.6663 689.7897 2.72_684.1009m/z 684.1008519 2.72 709.9404 823.4793 715.7095 736.4536 762.5107 738.8884 2.72_700.0822m/z 700.0822057 2.72 257.2467 307.0555 292.0360 272.5024 269.7817 248.9317 2.72_749.2947n 750.3019659 2.72 1719.6131 2189.6311 1925.0534 1892.2922 1947.3348 1917.7816 2.73_159.1264n 182.1285179 2.73 1187.4612 1277.0566 1225.5431 1245.4801 1225.9500 1244.8780 2.73_231.1468n 214.1434987 2.73 1567.5730 1590.5363 1557.8085 1646.9239 1603.1266 1569.9021 2.73_290.0793m/z 290.0792941 2.73 411.3629 472.2457 425.1561 452.7898 434.0095 437.6935 2.73_338.0935m/z 338.0934633 2.73 2120.4125 2264.8184 2093.0539 2096.2634 2101.6630 2175.7950 2.73_426.0492m/z 426.0492486 2.73 2742.7856 2933.6018 2777.1337 2776.5888 2782.0112 2740.5659 2.73_782.0857m/z 782.0857007 2.73 198.6616 230.2555 178.0830 190.3298 179.4153 143.3353 2.74_150.0556m/z 150.0556326 2.74 5505.6755 5653.8675 5694.4305 5783.1118 5614.5421 5720.1125 2.74_265.0024m/z 265.0023966 2.74 5132.3067 4539.7612 4773.9134 4987.4138 4861.4778 4969.0592 2.74_295.1196m/z 295.1195647 2.74 4652.0923 4742.0580 4807.0380 4859.9389 4886.9875 4660.3964 2.74_297.9802n 316.09703 2.74 7390.5240 7634.5919 7242.3948 7378.5832 7434.4278 7601.1864 2.74_325.0801n 326.0874105 2.74 27853.5674 29418.4342 29464.6078 29293.9899 29437.1697 29600.7957 2.74_562.0955m/z 562.095548 2.74 1766.6427 2073.0024 1909.8661 1872.3616 1873.5048 1906.0871 2.74_622.0978m/z 622.097763 2.74 369.6306 438.1178 377.5962 394.1560 331.5835 342.4317 2.74_650.1542n 651.1615145 2.74 2099.9954 2485.0970 2384.7898 2402.2178 2254.4635 2352.7847 2.74_689.1142m/z 689.1141989 2.74 1022.9810 1154.8143 1045.9853 1056.2421 1037.2943 1105.8617 2.74_760.1330m/z 760.1330226 2.74 327.4068 405.5214 336.4311 329.1836 325.9134 330.5888 2.74_887.1616m/z 887.1616317 2.74 215.4192 273.3019 233.3162 180.6688 208.9934 243.0871 2.74_95.0580m/z 95.05804521 2.74 182.3156 187.4983 195.5385 195.1928 193.6811 192.4268 2.75_127.0872m/z 127.0872251 2.75 76.5946 79.6387 85.6530 87.9634 88.0136 89.8000 C6H7NO 4-Aminophenol 4-Aminophenol 17602 MEDIUM 2.75_155.0815m/z 155.0815435 2.75 2790.4823 2826.0843 2853.5862 2826.7543 2804.6346 2880.8994 2.75_192.5540m/z 192.5539731 2.75 84.0257 106.7400 94.2472 85.7515 75.6574 110.5484 2.75_239.1008m/z 239.1007593 2.75 29507.9205 28447.5120 29412.1163 29140.0214 29631.0634 29799.5586 C11H14N2O4 Felbamate 4995 HIGH 2.75_744.1206m/z 744.1205585 2.75 169.0380 188.5058 206.8193 170.8328 180.1148 150.0543 2.76_112.0766m/z 112.0766343 2.76 2105.4376 2410.4468 2225.7684 2239.9707 2280.7493 2315.9871 C6H11NO2 D-Pipecolic acid D-Pipecolic acid HMDB05960 MEDIUM 2.76_115.0866m/z 115.0866323 2.76 233.0704 220.2275 262.8597 260.5952 240.9098 228.5057 C5H12N2O2 Ornithine Ornithine 15729 MEDIUM 2.76_169.0609m/z 169.0608515 2.76 5559.0171 5649.6729 5586.6614 5599.1089 5642.3849 5674.9532 2.76_175.1079m/z 175.10793 2.76 1285.7344 1390.0296 1277.1202 1273.6272 1316.8693 1361.7905 C7H11NO3 Paramethadione Paramethadione 250989 MEDIUM 2.76_216.1104n 217.1179471 2.76 5903.6377 6217.9219 5993.0986 6110.0289 5984.7716 6151.2937 2.76_277.1283m/z 277.1282799 2.76 3440.1875 3790.2961 3666.3093 3577.6064 3650.8850 3657.9496 C12H20O7 Triethyl citrate MEDIUM 2.76_601.0921m/z 601.0921165 2.76 372.2763 498.0426 398.8916 399.6647 389.7618 360.8803 2.76_70.0654m/z 70.06540009 2.76 251.6242 273.6747 246.3214 249.0701 264.9668 257.8184 C4H7N Butyronitrile 51937 MEDIUM 2.77_183.0522m/z 183.0521767 2.77 15743.0155 16259.8022 15814.6347 15798.3053 15863.4513 16496.2248 C6H6N4O3 1-Methyluric acid 1-Methyluric acid HMDB03099 HIGH 2.77_220.9984m/z 220.9983587 2.77 372.8900 318.4361 323.1165 305.0263 359.1671 356.1302 2.77_535.2237m/z 535.223726 2.77 987.3283 1288.8459 1138.3812 1215.2267 1175.1064 1246.6044 2.78_144.1018m/z 144.1018173 2.78 314.0582 266.6215 256.8947 291.8021 297.6034 271.4840 C7H15NO3 L-Carnitine Carnitine 16347 MEDIUM 2.78_262.1654m/z 262.1654445 2.78 62550.9958 67863.2687 65786.8772 67115.6770 67577.8688 67369.7673 2.78_630.0992m/z 630.0992164 2.78 911.4281 1221.4794 925.7166 1066.3412 1016.6852 1006.2330 2.78_85.0290m/z 85.02903894 2.78 564.7407 583.5997 593.5581 612.7452 604.5269 611.8168 2.80_252.1344m/z 252.1344289 2.80 162.3958 208.8298 182.4373 200.5236 189.4784 235.7365 2.80_298.0491m/z 298.0490562 2.80 1676.3428 1759.2315 1767.0291 1704.2260 1695.5657 1707.4351 2.80_315.1763m/z 315.176288 2.80 815.6074 938.3852 828.6500 906.4673 827.7513 902.1063 2.80_440.0563m/z 440.0562865 2.80 845.6300 873.6075 914.7465 971.4067 911.2198 944.2703 2.80_534.7289n 535.7302478 2.80 616.7258 778.3580 677.9868 683.5195 684.9029 692.3374 2.80_94.0354m/z 94.03543624 2.80 207.9960 225.4323 205.4589 206.3883 207.8219 204.5703 2.81_131.0408n 132.0481337 2.81 350.7780 373.3163 357.7514 386.5548 341.7472 341.4135 2.81_193.0996m/z 193.0996384 2.81 941.8590 927.9442 943.8486 963.5485 955.4485 956.6404 C11H7D5N2O2 L-Tryptophan-d5 2.81_229.9931m/z 229.9931241 2.81 480.1406 391.8150 451.2507 467.9704 448.3311 428.4194 2.81_230.1384m/z 230.1384312 2.81 5403.6372 5382.8903 5808.9991 5856.2526 5713.7148 5503.5521 2.81_276.5645m/z 276.5645065 2.81 33.7305 44.2998 58.4154 50.3847 48.7122 40.9436 2.81_318.0423m/z 318.0422777 2.81 1003.9555 931.4004 999.7420 969.0392 951.9276 932.4920 2.81_434.1346m/z 434.1345588 2.81 1961.6578 2183.3234 2057.7822 2079.4289 2059.3702 2028.9550 2.81_578.0865m/z 578.0865425 2.81 1835.9777 2120.7543 1897.1076 1943.1158 1843.4500 1904.7293 2.81_683.0653m/z 683.0652892 2.81 482.0400 523.5125 443.9407 432.5731 493.8143 460.8122 2.81_727.0971m/z 727.0970781 2.81 490.9293 665.2260 527.8944 528.8987 500.8009 519.5812 2.81_73.0115m/z 73.0114722 2.81 56.9306 70.4425 63.3681 52.6022 54.6069 60.9207 2.81_740.1007m/z 740.1006646 2.81 247.4559 228.6245 252.6701 213.5828 217.5059 223.4123 2.81_84.0450m/z 84.04497002 2.81 313.6552 336.5504 324.4859 333.6099 320.0761 332.8161 2.82_139.0256m/z 139.0255993 2.82 831.6499 934.5766 830.2522 859.8656 817.0364 847.2608 2.82_171.0242n 155.0016514 2.82 967.9292 905.7360 886.2490 898.1759 913.9453 944.7282 2.82_187.5272m/z 187.5272487 2.82 25.1578 22.4268 35.6708 27.5357 30.4017 16.3918 2.82_194.5318m/z 194.531833 2.82 62.0746 69.0383 58.7514 64.1048 70.4221 79.1790 2.82_242.0461m/z 242.0461089 2.82 7613.0332 7556.8430 7488.3641 7665.7779 7478.5394 7533.9704 2.82_258.0110m/z 258.0110157 2.82 1414.0816 1227.2458 1317.7979 1368.4171 1333.4238 1316.8530 2.82_290.0276m/z 290.0275722 2.82 197.7990 167.4118 198.0663 190.0838 164.9861 166.4162 C5H10N2O7P2 Zoledronate 46557 MEDIUM 2.82_295.0331m/z 295.0331054 2.82 305.4401 304.3090 334.6788 294.0995 321.6465 317.8503 2.82_304.0168m/z 304.016792 2.82 161.0420 143.6988 151.0368 140.8070 147.8659 135.2861 2.82_318.9804m/z 318.9804038 2.82 373.6378 271.2600 361.9928 326.7216 324.2400 279.0767 2.82_367.5388m/z 367.5388131 2.82 103.1222 75.7690 87.9306 105.1506 91.4660 78.4509 2.82_447.1067m/z 447.1067445 2.82 9841.2709 11754.5198 10719.1205 10731.4441 10705.5227 10948.0001 2.82_477.0677m/z 477.0676683 2.82 4324.6138 4870.2507 4597.7272 4811.1944 4502.4551 4563.7854 2.82_493.0395m/z 493.0395015 2.82 496.4567 568.7113 540.5155 521.5382 501.4877 510.6058 2.82_88.0400m/z 88.03999623 2.82 662.8726 756.5625 723.2591 712.0786 692.8098 742.0763 C8H8 Styrene Styrene 27452 MEDIUM 2.83_211.0909n 212.0889113 2.83 5486.1459 5686.4475 5509.5371 5560.3908 5514.7622 5643.8691 2.83_223.1054m/z 223.105445 2.83 2937.1626 3051.9685 2843.8650 2957.0056 2912.8602 2972.1226 2.83_264.5440m/z 264.5439522 2.83 83.6678 66.1407 68.6828 66.6137 77.9841 87.3834 2.83_293.0431m/z 293.0430711 2.83 1645.8943 1764.0293 1657.8328 1683.9215 1625.7596 1660.9096 2.84_141.0080m/z 141.0080325 2.84 798.6266 835.1197 777.3069 802.4915 773.6012 788.1590 2.84_187.1077m/z 187.1077447 2.84 1911.0078 2148.0795 2006.0818 1981.6231 1998.3562 2124.8713 2.84_233.1131m/z 233.1130578 2.84 3516.0230 3926.4274 3613.4236 3656.0656 3681.8554 3752.3137 2.84_236.5469m/z 236.5468702 2.84 147.6762 99.5320 131.0120 137.9811 150.7648 142.5695 2.85_150.0918m/z 150.0918218 2.85 5619.5127 5927.4616 5890.1817 6024.8557 5822.3496 5753.1042 2.85_387.1807m/z 387.1807433 2.85 227.1047 289.2311 243.4547 239.4684 241.7167 255.3300 2.86_243.0727m/z 243.0727405 2.86 1879.4272 1806.2588 2013.3503 2057.9950 1941.6876 1833.5584 C11H12N2O3 5-Hydroxy-L-tryptophan 5-Hydroxy-L-tryptophan HMDB00472 MEDIUM 2.86_320.1692m/z 320.1691689 2.86 1714.6184 1938.5112 1795.8442 1827.5659 1757.7745 1843.8156 2.86_375.1140m/z 375.1139629 2.86 3379.0803 3644.0300 3514.1475 3572.2900 3523.5823 3531.6715 C18H19F3N2S Triflupromazine 9711 MEDIUM 2.87_118.0868m/z 118.0867875 2.87 1624.2669 1776.9667 1685.7558 1726.2148 1738.3872 1718.6715 C5H11NO2 L-Valine Valine 16414 MEDIUM 2.87_138.0914m/z 138.0914379 2.87 284.1612 298.6496 282.1369 291.7829 261.4738 287.8531 C8H13NO2 Retronecine Retronecine HIGH 2.87_144.0902n 128.0705311 2.87 1960.3107 2281.9731 2092.3087 2114.2417 2098.6423 2142.8670 2.87_164.5443m/z 164.5442904 2.87 218.1101 224.5314 221.8874 213.1702 216.4908 213.6321 2.87_173.0558m/z 173.0558298 2.87 3381.8681 3702.4269 3438.7543 3534.2109 3446.0914 3581.5226 C9H10O2 Benzyl acetate 52051 MEDIUM 2.87_219.0605m/z 219.0605208 2.87 3951.0958 3837.5874 3965.2370 4009.8178 3920.2487 3922.4936 2.87_231.1239n 254.1108437 2.87 12913.0652 13514.1578 13329.0862 13325.2659 13272.6836 13604.6336 C12H16F3N Dexfenfluramine 439329 MEDIUM 2.87_244.1353m/z 244.1353041 2.87 2594.6535 2819.2437 2647.1150 2659.4167 2694.3424 2708.3682 2.87_72.0812m/z 72.08115375 2.87 252.7266 267.1365 266.8835 279.3088 282.2027 265.1747 C4H11NO Dimethylethanolamine Dimethylethanolamine 271436 MEDIUM 2.87_84.0812m/z 84.08118517 2.87 457.8744 531.7323 485.9259 489.5921 500.7221 496.5986 C5H9N tert-Butyl isocyanide MEDIUM 2.88_100.0760m/z 100.0760362 2.88 105.0478 119.2652 132.1436 119.3766 128.4743 117.5835 C5H9NO 2-Piperidinone 2-Piperidinone HMDB11749 HIGH 2.88_142.0632m/z 142.0632249 2.88 538.3655 499.8359 530.4040 537.6660 548.6561 520.4210 2.88_173.5460m/z 173.5460175 2.88 178.3864 160.3753 158.1296 168.0394 163.0402 173.0657 2.88_257.1128m/z 257.112834 2.88 17269.5956 19274.8602 18043.3076 18218.2368 18382.4927 18443.1271 2.88_509.2269m/z 509.2269411 2.88 817.5653 1027.7428 888.1869 927.9679 966.0203 927.4995 2.88_509.7284m/z 509.728357 2.88 237.6214 297.8105 259.5780 273.0919 296.0910 279.6510 2.88_528.1305m/z 528.1304875 2.88 1452.3124 1709.7406 1588.0629 1559.2066 1516.3685 1553.1237 2.89_269.1484m/z 269.148378 2.89 1830.9111 2113.0578 1896.4705 1923.9356 1936.5627 1995.2711 2.89_288.1436m/z 288.1435618 2.89 4264.3952 5138.5534 4596.6828 4587.4135 4736.5290 4841.7029 2.89_301.1381m/z 301.1380503 2.89 2786.4197 2942.0686 2869.2008 2897.4210 2834.2963 2876.0243 2.89_471.7074m/z 471.7073744 2.89 228.4244 319.8624 268.7326 255.1930 297.2911 307.4874 2.89_628.6073m/z 628.6073394 2.89 351.4058 473.9388 424.1668 402.8862 459.7669 430.0838 2.90_174.1489m/z 174.1488605 2.90 534.4266 546.7067 576.8532 540.0334 505.8493 561.3063 C9H16O2 4-Hydroxynonenal 58968 MEDIUM 2.90_430.1642m/z 430.1641764 2.90 1959.4073 2153.9117 2092.3511 2131.8363 2066.1302 2117.1370 2.90_636.0853m/z 636.0852571 2.90 1244.2904 1480.8589 1344.5283 1344.9881 1316.0478 1384.0178 2.91_139.0032m/z 139.0031732 2.91 2925.0402 3172.8483 3196.0955 3281.0677 3112.8804 3245.8209 C6H4O5 "2,5-Furandicarboxylic acid" HMDB04812 HIGH 2.91_170.0214n 171.0282201 2.91 671.2231 691.6003 745.3470 763.3353 719.5732 750.2992 2.91_185.0470m/z 185.0469584 2.91 830.9357 793.6864 822.6595 837.5103 800.7780 804.0412 2.91_187.0573m/z 187.0572843 2.91 4942.3492 4951.4456 5271.2227 5044.7171 5076.8410 5120.8752 2.91_194.9601m/z 194.9600695 2.91 910.3572 893.2462 891.7574 952.8734 899.3526 941.9478 2.91_240.9655m/z 240.9655029 2.91 754.9022 675.8413 810.1301 756.0343 774.4367 843.6328 2.91_256.9376m/z 256.9375997 2.91 64.0050 71.2656 107.3141 91.2233 79.8374 86.5924 2.91_262.0154m/z 262.0153644 2.91 75.3691 80.7379 73.9085 59.7000 62.7172 42.5752 2.91_316.0958m/z 316.0957821 2.91 4004.2825 4349.6796 3967.6322 4083.1822 4052.8055 4184.5687 2.91_95.0117m/z 95.01165512 2.91 192.8276 155.3837 164.0512 180.8662 179.5423 170.1808 2.93_161.0713m/z 161.0713129 2.93 2441.7688 2517.3242 2424.1598 2498.7578 2377.2004 2457.8689 2.93_182.0688m/z 182.0688225 2.93 25207.9606 29166.0008 26867.3381 26307.3300 25932.8511 28317.0927 2.93_209.0413m/z 209.0412833 2.93 459.3436 422.2600 434.8497 425.5613 424.1996 415.7066 2.93_240.0225m/z 240.0225461 2.93 246.4409 237.1039 220.0692 228.7821 217.1471 234.2367 2.93_266.0200m/z 266.0200007 2.93 701.9033 730.2459 727.9893 737.0361 714.9412 767.0749 2.93_337.0793m/z 337.079346 2.93 863.0379 894.9717 877.1541 860.9027 865.7454 878.1709 2.93_366.1207m/z 366.1207308 2.93 1566.2545 1766.2681 1596.0414 1626.1341 1647.0470 1667.5506 2.93_384.1314m/z 384.1313999 2.93 3779.9350 4188.6120 3853.5030 3941.2136 4059.6553 3926.9897 2.93_401.0441m/z 401.0441408 2.93 959.1752 1035.7858 932.8020 937.8878 945.4442 964.7363 2.94_128.0451m/z 128.0450621 2.94 414.8236 422.4434 480.0973 444.8662 430.7164 451.9936 2.94_142.1229m/z 142.1228793 2.94 454.6026 471.9100 458.9367 492.4989 479.5482 488.1362 2.94_188.1271m/z 188.127089 2.94 499.8523 494.3942 419.2114 475.5636 442.1083 456.7592 2.94_192.0658m/z 192.0657761 2.94 2658.5028 3008.9342 2825.9047 2790.8273 2764.5744 2835.4387 2.94_198.0693m/z 198.0692653 2.94 3531.6473 3793.3312 3519.7021 3624.7926 3544.9302 3685.8710 2.94_339.0731m/z 339.0730831 2.94 2686.7151 2656.9860 2694.4063 2711.0411 2623.8684 2734.8113 2.94_454.1814m/z 454.1814386 2.94 3656.9461 4246.2813 3923.3597 3939.2414 3898.9735 4002.2737 2.94_558.1145m/z 558.1145037 2.94 429.5352 512.0290 485.1223 498.7145 495.6069 444.6386 2.94_94.0656m/z 94.06564756 2.94 430.5898 481.3649 468.5242 457.8693 457.0282 459.6194 2.95_381.0685m/z 381.0685404 2.95 1330.6340 1611.2673 1301.0497 1402.2531 1300.0507 1472.6980 2.95_98.0606m/z 98.06058703 2.95 383.5675 401.1870 388.2214 395.8298 406.0092 389.2534 C5H9NO2 L-Proline Proline 17203 MEDIUM 2.96_214.0506m/z 214.0506355 2.96 664.4638 654.2873 651.8965 682.5163 663.3559 637.4446 2.96_251.1497m/z 251.1496591 2.96 500.6175 519.3707 533.4715 522.5293 525.4692 501.8339 2.96_254.1501m/z 254.1500845 2.96 3781.9663 4348.8683 4123.1154 4173.5554 4221.0334 4243.1056 C12H16N2O3 Phenylalanyl-Alanine Phe-Ala HMDB28988 MEDIUM 2.97_126.0918m/z 126.0917859 2.97 247.9422 252.9360 245.2703 253.8394 270.0139 245.3884 C7H8O p-Cresol P-Cresol 17847 MEDIUM 2.97_195.0768m/z 195.076831 2.97 1505.0047 1541.2234 1550.7939 1536.4672 1517.6294 1563.6872 2.97_222.0749m/z 222.074949 2.97 4485.5173 4524.9532 4409.7596 4402.1849 4428.8017 4532.4326 2.97_256.0501m/z 256.0500816 2.97 507.3934 435.9991 551.3672 527.0693 540.5513 511.8762 2.97_374.1080m/z 374.1079814 2.97 643.6770 647.8669 589.3967 638.3142 651.7350 634.1904 2.98_104.0494m/z 104.0494165 2.98 69.5264 74.7651 67.6242 64.4640 79.2950 74.7634 C7H5N Benzonitrile 27991 MEDIUM 2.98_212.5458m/z 212.5457693 2.98 27.9472 39.0335 28.7833 22.8167 31.1134 34.9746 2.99_138.0439n 139.0512183 2.99 8482.2256 9486.4446 8807.0302 8858.6078 9260.9407 9087.4524 C6H6N2O2 Nicotinamide N-oxide Nicotinamide N-oxide HMDB02730 HIGH 2.99_193.0976m/z 193.0975613 2.99 5728.0583 5774.5326 5680.4848 5559.5950 5790.1258 5641.4871 2.99_211.0289m/z 211.0288888 2.99 753.5007 515.2452 629.5198 634.4608 663.7094 646.0104 2.99_271.0934m/z 271.0933687 2.99 14217.1911 15476.6815 14650.0388 14581.0915 14919.4673 14855.2032 C16H17NO4 Lycorine CHEBI:6601 MEDIUM 2.99_283.1392m/z 283.1392076 2.99 1912.0923 2088.2588 1923.1961 1908.1087 1933.1965 1937.8652 2.99_284.1257n 307.1223914 2.99 4656.6426 5059.8841 4810.5185 5030.4819 4884.1604 4962.6524 2.99_402.1744m/z 402.1744307 2.99 1071.0518 1247.1065 1170.7942 1146.0085 1193.6873 1154.8874 C23H30O7 Asteltoxin MEDIUM 2.99_424.1189n 407.1156484 2.99 4609.0125 4910.1698 4670.3420 4770.9491 4745.3950 4846.8839 2.99_521.0880m/z 521.0880353 2.99 664.3880 753.2640 672.5436 668.0518 669.9536 683.7627 20.01_295.8511m/z 295.8511472 20.01 225.4326 191.2706 191.8054 229.4765 197.5632 213.1778 20.02_507.4303m/z 507.4302836 20.02 2927.4431 2523.8162 2758.2464 2793.1370 2839.6101 2746.6491 20.06_360.0122m/z 360.0121734 20.06 43.9668 62.0400 90.4392 135.3196 44.4737 63.4987 20.06_531.4939m/z 531.4938825 20.06 4726.9084 4264.5527 4483.2805 4437.0185 4549.4702 4388.1672 20.06_689.7315m/z 689.731513 20.06 868.4359 899.1024 878.4238 1061.3282 919.4173 977.4355 20.06_767.8361m/z 767.8360675 20.06 3005.8136 2766.0090 3049.7410 2825.4152 2735.4225 2422.3189 20.08_445.7950m/z 445.7950429 20.08 51.6144 82.7967 116.4150 97.2773 85.7619 82.3975 20.09_691.5851m/z 691.585066 20.09 2744.5770 2314.4685 2552.1347 2580.5330 2467.9593 2542.1313 20.10_266.9268m/z 266.9267561 20.10 109.7778 82.2809 73.9247 74.6981 69.2589 42.1168 20.12_359.7999m/z 359.799872 20.12 419.7647 376.6700 348.2291 342.1776 353.0927 389.5370 20.13_124.9684m/z 124.9684023 20.13 99.4295 91.7024 107.5134 108.4293 109.3879 153.1021 20.13_522.5956m/z 522.5955877 20.13 297.3805 266.9669 264.8646 292.1399 174.2209 185.3557 20.16_216.9731m/z 216.9731146 20.16 854.3789 782.0587 898.3157 807.0333 849.4168 891.9836 20.17_687.5803m/z 687.5803094 20.17 9969.8514 8868.5197 8894.1839 8919.4274 8863.2772 8954.2015 20.18_643.5317m/z 643.53169 20.18 2520.4404 2308.4081 2426.7816 2440.1289 2378.3204 2381.0934 20.19_297.0275m/z 297.0274905 20.19 390.2114 376.0705 267.9194 334.9788 281.3020 350.9720 20.19_60.0812m/z 60.08118108 20.19 134.4065 122.5043 122.7104 123.1575 130.3289 139.1120 C3H9N Trimethylamine Trimethylamine 18139 MEDIUM 20.21_847.6610m/z 847.6610003 20.21 51647.0682 44948.1017 47906.5613 46634.3182 45990.2867 45322.8165 20.22_701.4159m/z 701.4159173 20.22 1881.0233 1739.6228 1857.1600 1923.3084 1832.2937 1569.2520 20.24_721.7739m/z 721.7739021 20.24 764.5206 755.7110 708.4244 653.2622 692.5137 724.9458 20.25_761.6008m/z 761.6007501 20.25 8262.3586 7521.9952 7868.3436 7647.2855 7635.4656 7218.0771 20.27_627.5981m/z 627.5981288 20.27 2334.9486 2061.6380 2264.1313 2190.5589 2194.1003 2164.0696 20.29_651.4765m/z 651.4764973 20.29 5056.6192 4519.0953 4774.9890 4617.8299 4530.0067 4579.3282 20.31_124.9686m/z 124.9685699 20.31 55.8640 75.1820 73.1832 69.9989 88.5159 103.5073 20.35_210.9773m/z 210.9773272 20.35 50174.0269 41961.4445 45616.6989 48268.7857 48317.1237 48448.2613 20.35_689.7464m/z 689.746448 20.35 1360.2728 1051.5597 1162.0402 1165.3694 1246.7837 1144.5699 20.38_547.9754m/z 547.9753559 20.38 536.2771 493.6268 541.0278 533.5419 516.8321 497.3557 20.39_732.6210m/z 732.6209784 20.39 5323.1486 4657.7204 5057.7845 5091.5530 4989.8739 4856.9006 20.41_202.8729m/z 202.8729237 20.41 110.2060 91.7313 72.7259 53.5138 67.5675 16.7139 20.41_302.8608m/z 302.8608223 20.41 229.2239 157.0171 152.8669 169.6265 181.9380 152.0808 20.44_312.3621m/z 312.3621477 20.44 1591.2853 1393.7020 1384.9540 1356.0759 1358.3922 1296.1614 20.45_501.4606m/z 501.4605809 20.45 647.3819 546.4785 590.4098 496.9525 531.2668 479.6604 20.45_721.7753m/z 721.7753442 20.45 1594.1557 1249.4839 1422.2368 1262.8668 1275.6775 1164.0628 20.47_780.6033n 781.7184394 20.47 17726.9488 15601.4082 15628.1255 15285.0080 15224.2997 14218.3145 20.58_651.4757m/z 651.4756784 20.58 4035.8224 3294.2437 3708.4527 3674.7862 3611.9966 3469.8550 20.58_730.6856m/z 730.6855663 20.58 7591.7754 6720.0003 7098.1801 7015.9397 6929.5327 7044.1163 20.59_989.7251m/z 989.7250799 20.59 1053.8162 518.6827 724.7217 455.0443 573.7713 388.6480 20.62_266.9269m/z 266.9268561 20.62 71.3414 25.4705 35.6140 40.0908 36.5525 25.1449 20.64_456.4190m/z 456.4189577 20.64 345.4433 326.9402 340.8923 328.4913 327.2847 334.1672 20.65_555.5072m/z 555.5071518 20.65 4656.2320 3864.2032 4244.8158 4070.5060 4073.1836 4044.9230 20.65_773.6629m/z 773.662948 20.65 32690.4591 28333.6320 30001.6725 29502.8658 28354.2602 27495.6591 20.67_934.2658n 957.2552328 20.67 5098.0152 4570.0433 4685.9162 4651.4144 4311.2877 4305.0272 20.69_758.6733m/z 758.6733291 20.69 26492.2813 22168.5977 23716.7118 23635.6024 22950.0486 22448.3114 20.69_805.6199m/z 805.6198778 20.69 8713.8387 7767.2054 8180.0376 7569.6157 7757.2337 7145.7743 20.71_258.8149m/z 258.8149373 20.71 684.3573 595.4788 626.0195 644.9750 662.5800 646.2936 Co3O4 "Cobalt(II, III) oxide" MEDIUM 20.72_124.9688m/z 124.968806 20.72 388.9864 384.3222 416.9894 427.7732 457.1579 406.3826 20.73_132.9212m/z 132.9211578 20.73 1706.4047 1507.0154 1656.6145 1600.1645 1546.0492 1593.6886 20.73_290.8402m/z 290.8402446 20.73 798.0081 616.2489 698.4836 663.6155 679.8166 688.4254 20.73_698.5870n 721.5758239 20.73 198327.3012 170585.9529 182572.9394 181197.2037 179841.6484 179064.1309 20.74_256.8171m/z 256.8170874 20.74 1505.0870 1335.3218 1372.8118 1414.9352 1370.5070 1342.3634 20.74_549.4442m/z 549.4442011 20.74 1429.6054 1328.7717 1331.0563 1405.3501 1352.4452 1320.0889 20.75_134.9192m/z 134.9192273 20.75 3580.8797 3007.2443 3224.6336 3132.6997 3216.6710 3144.9215 20.75_230.8526m/z 230.852559 20.75 5094.8142 4302.9738 4651.0425 4779.1792 4731.8273 4848.0999 20.75_234.8483m/z 234.8482767 20.75 661.6518 466.9485 562.5328 518.6864 581.7098 623.1925 20.76_214.9121m/z 214.9121403 20.76 7447.7664 6199.6112 6929.0235 6845.5188 7197.1182 6931.8743 20.76_232.8504m/z 232.8503983 20.76 2081.6768 1717.9377 1810.7985 1877.1995 1942.3878 1925.1274 20.76_829.7191m/z 829.7190523 20.76 33753.2568 28817.5480 31243.6909 30178.6413 30933.4189 28971.0830 20.78_182.9035m/z 182.903474 20.78 527.1082 453.6137 492.6919 408.1253 496.7209 510.4405 20.78_81.9510m/z 81.95098425 20.78 76.0669 75.1865 65.9949 85.8979 62.1268 83.4976 20.79_833.6466m/z 833.6465577 20.79 45731.4343 39814.1159 42329.3581 41011.3750 40963.0963 39230.6814 20.80_156.8902m/z 156.8902064 20.80 254.8887 202.6135 266.8566 165.7951 181.7546 165.1898 20.80_307.0490m/z 307.0490406 20.80 2185.6111 1917.3359 2039.5921 2106.3926 2078.7776 2049.7176 20.80_711.6922m/z 711.6922429 20.80 5001.7297 4349.4517 4462.2725 4354.4934 4373.8279 4164.3259 20.80_82.9489m/z 82.94888065 20.80 109.8942 106.0524 125.9433 93.9176 111.8092 113.9005 20.81_96.9383m/z 96.93826851 20.81 477.3160 411.4237 418.2371 403.3810 398.8087 433.9068 20.82_844.2518n 867.2433917 20.82 2014.0192 1796.2070 1834.4288 1900.1852 1847.9310 1599.7131 20.82_958.7447m/z 958.7446721 20.82 415.2338 317.3064 274.1959 322.4184 325.9987 241.7050 20.83_185.8931m/z 185.8930548 20.83 1300.8432 1134.6427 1249.5744 1279.8681 1197.8690 1238.4812 20.83_449.2216m/z 449.2216397 20.83 1382.2261 1144.3408 1028.6922 1181.4237 1119.8068 1242.9084 20.83_641.2724m/z 641.2723559 20.83 711.9878 607.0953 656.0252 544.3188 595.9611 608.0919 20.84_97.0047m/z 97.00470561 20.84 5462.7719 4825.2318 5347.4935 5362.2838 5451.3811 5432.2495 20.86_129.0308m/z 129.0308137 20.86 7302.0757 6398.4169 7018.6311 6958.3149 6950.5351 6948.3185 20.87_112.9699m/z 112.9699064 20.87 24.0252 30.4037 18.6570 21.6654 36.5214 7.7116 20.87_276.1880m/z 276.1879668 20.87 1007.1403 747.2336 839.6947 897.3702 793.1870 772.2679 20.87_287.0692m/z 287.0691615 20.87 3022.6984 2553.0792 2835.8682 2835.9878 2866.6736 2856.4826 20.88_122.0090n 123.0042937 20.88 10423.9235 9233.3677 9943.0355 9935.9841 10050.9627 10001.3047 20.88_141.0510m/z 141.0509668 20.88 11396.8234 9743.9940 10601.8248 10692.7325 10641.6272 10619.9907 C7H11NO3 Paramethadione Paramethadione 250989 MEDIUM 20.88_253.9464m/z 253.9463947 20.88 14069.2047 12616.8820 13423.8951 13526.9904 13200.5688 13512.2855 20.88_265.9663m/z 265.9663428 20.88 30058.5526 26189.3982 28506.3487 28700.7011 28359.7213 29074.3821 20.88_290.1675m/z 290.1675125 20.88 6176.6801 5075.4964 4989.9063 5236.3655 4845.7761 4763.0267 20.88_424.8318m/z 424.8317922 20.88 434.9521 407.6385 430.4719 436.9078 460.0682 466.3859 20.88_529.2927m/z 529.292669 20.88 715.7197 433.4804 569.8286 545.9777 650.4717 528.3633 20.88_83.0222m/z 83.02221503 20.88 220.7025 211.6982 233.1427 243.6131 275.4889 279.2081 20.89_137.0300m/z 137.0299945 20.89 2289.1607 2119.4036 2397.3348 2466.4521 2605.5537 2652.9230 20.89_138.0476n 121.0442803 20.89 56175.5420 48944.7907 54278.2175 53968.1658 53874.5317 54394.1172 20.89_153.0697m/z 153.0696781 20.89 3164.4290 2757.5912 3016.6574 2918.5534 2990.0280 2888.1392 C12H10O 2-Biphenylol 17043 MEDIUM 20.89_168.9845m/z 168.9844523 20.89 5038.2807 4430.8151 4815.9845 4863.3600 4896.4536 4972.5590 20.89_177.0547m/z 177.0547115 20.89 1522.0731 1326.2498 1456.2516 1400.6580 1459.5979 1450.2560 20.89_211.9661n 194.9371577 20.89 60943.9640 53293.5564 58164.4127 58383.6524 58098.7491 58370.7700 20.89_219.9624n 242.9443617 20.89 5630.0513 5249.7499 5325.1512 5567.3643 5416.2769 5679.3768 20.89_313.0661m/z 313.0660559 20.89 4559.6591 3986.6470 4310.2296 4279.3776 4159.4170 4245.6928 20.89_558.8905m/z 558.8904824 20.89 1973.0330 1700.8449 1801.5587 1868.4368 1840.7771 1769.1624 20.89_623.8536n 606.8502706 20.89 2586.2231 2302.3119 2421.2236 2596.9796 2382.0145 2480.7166 20.89_64.9983m/z 64.9982594 20.89 242.0535 208.9366 234.7431 229.6541 242.7031 220.6195 20.89_761.8099m/z 761.8098793 20.89 1137.4012 821.0918 924.8722 929.7254 883.5512 949.6593 20.89_79.0138m/z 79.01381417 20.89 7341.6696 6466.5612 7124.4132 7203.4966 7151.6674 7259.2733 H4N2O4 Hydroxylammonium nitrate MEDIUM 20.89_95.0087m/z 95.00872631 20.89 28378.6956 24783.1087 27344.9923 27399.2927 27149.4005 27371.0983 C5H5NO2 Methyl cyanoacrylate MEDIUM 20.90_133.0272m/z 133.0271689 20.90 770.0191 648.6196 678.8401 680.5191 715.5892 683.2670 20.90_183.0092m/z 183.0092477 20.90 6288.4497 5469.9638 5957.8885 6105.4980 6080.5496 6165.5671 20.90_198.9943m/z 198.9943158 20.90 21533.2659 18614.9508 20471.0910 20675.3821 20713.4894 21320.1554 20.90_215.0340m/z 215.034031 20.90 8537.2330 7454.0022 8118.0072 8217.6576 8196.9706 8311.4018 C12H8O5 9-Hydroxy-4-methoxypsoralen MEDIUM 20.90_217.9706n 218.9778816 20.90 7385.3597 6702.4254 6976.0334 7178.7746 6997.1967 7502.4469 20.90_222.9218m/z 222.921796 20.90 12825.5648 11292.9835 11733.6046 12127.1130 11754.7747 12197.1718 20.90_225.9525n 208.9492385 20.90 7046.0666 6256.8422 6641.9242 6762.0768 6676.4141 6906.1624 20.90_337.9302n 355.8975045 20.90 15704.4201 13435.7797 14488.7485 14365.2230 14210.1177 14394.8060 20.90_620.8373m/z 620.8372726 20.90 1275.9954 1115.5144 1186.8523 1164.9263 1076.5917 1144.3263 20.90_705.7314m/z 705.7313568 20.90 1835.7116 1650.7983 1905.4612 1811.4240 1831.6625 1671.5805 20.90_765.8393m/z 765.8392689 20.90 2501.3271 2265.9650 2107.4600 2153.0430 2181.3369 2167.9082 20.90_767.8366m/z 767.8366081 20.90 1778.4370 1465.6702 1658.6237 1589.1614 1555.9833 1605.8373 20.90_769.7775m/z 769.7775058 20.90 3428.6976 2742.1587 3070.2197 3053.9187 3285.9004 2937.8035 20.90_80.9931m/z 80.99311499 20.90 778.4585 686.8508 734.0095 752.4634 735.7889 735.8030 20.90_89.0181m/z 89.0181144 20.90 4638.3689 4052.6545 4478.3141 4555.8464 4446.9271 4620.1118 20.90_91.0342m/z 91.0342086 20.90 5525.8047 4929.4129 5391.3026 5438.0355 5470.4427 5501.9054 20.91_107.0293m/z 107.02933 20.91 44987.3511 39242.9173 43324.2160 43398.7207 43076.1948 43538.3415 20.91_134.0278n 135.0245632 20.91 10698.8127 9274.7996 10402.9616 10299.3441 10367.9889 10319.8003 20.91_162.9669m/z 162.9669367 20.91 1049.5187 927.8191 999.6332 1032.2231 980.5496 1034.6660 20.91_176.9550m/z 176.955032 20.91 2254.6174 1949.2178 2222.2938 2194.9735 2215.1981 2171.5077 20.91_185.0191m/z 185.0191328 20.91 6287.6700 5668.0261 6256.2745 6149.5445 6230.8223 5979.0932 C6H4N2O5 "2,4-Dinitrophenol" "2,4-dinitrophenol" 918 MEDIUM 20.91_205.9315n 206.955313 20.91 21636.1830 18716.4112 20479.9301 20739.8681 20446.9220 20741.7622 20.91_233.9406n 256.9026577 20.91 20550.6022 17584.2003 19143.1953 18967.6456 18884.1609 19574.6286 20.91_282.9103m/z 282.910279 20.91 8501.0307 7374.0588 8036.7832 7954.0749 8070.6461 7979.0894 20.91_308.9103m/z 308.9103001 20.91 6167.1431 5258.3906 5780.1451 5622.6484 5546.6489 5687.3929 20.91_339.0656m/z 339.0655826 20.91 2590.4171 2282.4147 2372.4204 2371.7783 2361.3294 2367.8601 20.91_424.9404m/z 424.9404233 20.91 15619.3597 13216.0971 14371.3941 14452.1549 14498.3304 14680.8380 20.91_546.8545m/z 546.8545002 20.91 7015.8220 6265.9408 6560.1609 6790.8445 6527.8930 6687.3036 20.91_561.8640n 562.8474106 20.91 8849.6309 7938.4505 8187.7473 8458.6341 8179.9122 8498.5822 20.91_590.8323m/z 590.832317 20.91 2293.6090 2213.0670 2146.4760 2294.6020 2181.5903 2201.3689 20.91_597.3054m/z 597.3054394 20.91 309.4396 208.6545 103.5870 108.6771 203.2231 144.6581 20.91_602.8607m/z 602.8606766 20.91 2985.0564 2566.9469 2637.7577 2724.8770 2653.5013 2722.6728 20.91_611.8562n 612.8634286 20.91 5877.6510 5267.5821 5354.4192 5761.5293 5596.1653 5608.0328 20.91_75.0027m/z 75.00269983 20.91 4106.9287 3556.2247 3886.0995 3890.7130 3923.0374 3942.1975 20.91_76.0106n 77.01850474 20.91 6769.4142 6069.5976 6593.6491 6652.9555 6459.0103 6656.9330 20.92_154.9684m/z 154.9683645 20.92 377.8096 308.7273 355.5961 296.3831 342.9023 348.8587 20.92_164.0089n 186.9741457 20.92 8190.3185 7183.5892 7698.3366 7803.7699 7771.7177 7829.2061 20.92_178.9566m/z 178.9566393 20.92 5214.7125 4531.7793 4923.9437 4874.8883 4939.2556 4956.8436 20.92_310.9109m/z 310.9108935 20.92 3725.5339 3360.1698 3542.1885 3599.7656 3446.9130 3569.2513 20.92_314.9288m/z 314.9287824 20.92 4860.0402 4263.4148 4546.6509 4572.7477 4579.1425 4617.3426 20.92_326.9433m/z 326.9432567 20.92 5792.4714 5048.1903 5473.1394 5338.3804 5311.5672 5435.9365 20.92_329.9683n 312.9649893 20.92 7641.6923 6642.4022 7321.8911 7106.4092 7305.9926 7177.1454 20.92_364.9239m/z 364.9239175 20.92 597.1563 458.7805 573.2226 534.2798 547.6905 569.5262 20.92_503.8460n 526.847701 20.92 7451.2717 6770.2218 7122.1619 7187.2411 7181.1673 7227.4197 20.92_531.8506n 532.8564205 20.92 8830.8225 7983.0095 8366.4049 8568.4883 8293.6149 8351.3957 20.92_60.9867m/z 60.98669962 20.92 329.8100 269.2429 309.1867 300.8123 295.2572 280.3271 AlHO2 gamma-Aluminum oxide hydroxide 30189 MEDIUM 20.92_610.8487m/z 610.8486786 20.92 1093.3927 999.8075 1012.6970 1125.9503 1020.3904 1095.4808 20.92_615.8840n 598.8807079 20.92 4340.8125 3944.4325 4155.5351 4411.2855 3991.5441 4111.1815 20.92_618.8278m/z 618.8278322 20.92 1008.3410 963.6264 978.9886 940.1205 1007.8332 1018.6279 20.92_625.8439n 626.7868957 20.92 6179.3028 5487.9296 5912.8028 6039.6158 5699.9846 5834.2598 20.92_80.0061n 102.9977073 20.92 2706.5355 2415.2079 2592.2302 2658.0594 2613.0850 2661.0425 20.93_192.9393m/z 192.9393283 20.93 8529.7191 7386.5929 7984.5281 8002.1186 8080.5070 8089.0496 AlF6Na3 Sodium hexafluoroaluminate 39289 MEDIUM 20.93_201.0174m/z 201.0174212 20.93 5120.3988 4605.1386 4745.8681 5120.5619 4900.6177 5025.5443 20.93_205.0206m/z 205.0205779 20.93 743.5366 597.3898 683.1978 656.8138 773.6069 650.7363 C7H6N2O4 "2,6-Dinitrotoluene" 957 MEDIUM 20.93_212.0332n 195.0298951 20.93 6186.8694 5341.8549 5846.4927 5803.8949 5991.2666 5886.6176 20.93_260.9666m/z 260.9665814 20.93 4303.3125 3638.3080 4153.9725 3946.0122 4218.2322 3982.9820 20.93_263.9931n 286.9635006 20.93 6317.2169 5264.5608 6029.7764 5765.5689 5920.1471 5976.4920 20.93_317.9145n 340.9217593 20.93 12543.9694 10894.4880 11765.3380 11796.0193 11552.1934 11804.5474 20.93_366.9134m/z 366.9133677 20.93 14367.1105 12522.9650 13250.2477 12625.4101 12423.6785 12672.6303 20.93_370.9070m/z 370.9069924 20.93 6017.6920 5154.2458 5665.9046 5495.3447 5577.7036 5684.8186 20.93_439.9160m/z 439.916009 20.93 12594.2754 10983.2207 11590.8846 11834.0832 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1683.0789 1822.5042 1851.2174 1898.3754 1916.8944 21.10_248.8815m/z 248.8815296 21.10 11776.4246 10003.4838 11151.5887 10981.6197 10959.0160 10851.8934 21.10_254.9378n 237.9344958 21.10 13440.1258 11455.0144 12596.5157 12741.5926 12553.9680 12742.9461 21.10_262.8847n 246.8621646 21.10 29415.6198 24929.6134 27470.8715 27530.7074 27094.7461 27810.5253 21.10_268.3375m/z 268.3375329 21.10 505.1681 447.0495 498.5255 499.3576 533.5766 491.0829 21.10_277.3521m/z 277.3520684 21.10 2524.1432 2125.3429 2408.8005 2451.3920 2474.0038 2538.7939 21.10_316.7991m/z 316.7991405 21.10 3700.2455 3070.7384 3445.9381 3474.5206 3441.3309 3469.8697 21.10_319.3044n 320.3117229 21.10 3342.0898 2963.8067 3242.3856 3364.5041 3330.3031 3296.5106 21.10_350.3015m/z 350.3015327 21.10 2664.8212 2223.5861 2429.5886 2498.4175 2512.3950 2516.5173 21.10_353.9060m/z 353.9060176 21.10 609.9778 510.8903 541.2416 488.8961 574.5141 565.7261 21.10_363.7897m/z 363.7896919 21.10 35427.5756 30015.0886 34093.5184 33678.0306 33829.2563 33774.3972 21.10_409.8210n 392.8177453 21.10 20910.9005 18078.6698 19769.5158 19496.1284 19476.5675 19465.7669 21.10_417.2749m/z 417.274944 21.10 1220.3950 1050.3672 1141.1460 1142.4629 1146.2546 1180.5114 21.10_424.2666m/z 424.266599 21.10 1615.9532 1441.1583 1606.5267 1612.5125 1563.9478 1588.5721 21.10_444.2548m/z 444.2547732 21.10 400.2040 432.1894 452.9977 422.8363 401.5510 427.6314 21.10_519.2292n 502.2258948 21.10 2785.2109 2375.8911 2684.9530 2638.1638 2651.1500 2647.4044 21.10_606.1706m/z 606.1705542 21.10 636.8911 476.5494 481.4906 543.7069 611.1938 415.8766 21.10_617.1872n 600.1838682 21.10 254.1989 360.4920 356.2559 353.1639 319.1468 384.8306 21.10_622.1722m/z 622.1722418 21.10 312.9113 180.7868 214.0516 255.4604 219.3285 141.4925 21.11_113.9642m/z 113.9642487 21.11 10134.4743 8772.6717 9726.1264 9706.0252 9798.5931 9507.3585 21.11_117.9361n 100.9328015 21.11 11858.0474 10157.0208 11219.9815 11205.5657 11009.2655 11099.7275 21.11_203.3826m/z 203.3826218 21.11 334.3883 303.8463 345.2237 336.1573 347.9571 328.8970 21.11_223.9419m/z 223.9418914 21.11 4750.0247 4012.8390 4558.8930 4471.2442 4506.3191 4443.3521 21.11_239.8523m/z 239.8523009 21.11 214.8945 192.7572 226.1422 229.8799 200.3686 235.9710 21.11_239.9303m/z 239.9303394 21.11 4593.4692 3828.7179 4310.8619 4169.7648 4349.8916 4168.7789 21.11_276.3239m/z 276.3239266 21.11 1242.8517 1043.6190 1148.5335 1177.0776 1185.6959 1159.6597 21.11_308.3479n 292.3453681 21.11 2533.2144 2217.7311 2531.8803 2505.4679 2490.3344 2598.2682 21.11_343.3088m/z 343.3088144 21.11 2899.3170 2512.9683 2660.0570 2767.8854 2795.2128 2754.4409 21.11_356.8108n 379.8303381 21.11 10590.9730 9032.4752 10017.7031 9848.0553 9843.7136 9881.3277 21.11_408.7878m/z 408.7878121 21.11 16713.7548 14385.1124 15836.4336 15615.0220 15538.0682 15528.4782 21.11_411.7586m/z 411.7585556 21.11 12482.0878 10284.1686 11499.5920 11222.6521 11292.8412 11554.8990 21.11_439.8050m/z 439.8050196 21.11 11781.4322 10048.9285 11090.3026 11152.6064 10783.6810 10984.4769 21.11_457.7678m/z 457.7677921 21.11 4502.6918 3601.8897 4348.8299 4119.7443 4382.6727 4160.9965 21.11_513.8149m/z 513.8149148 21.11 11287.1974 9986.7679 11314.6887 11439.9270 11540.2405 11723.1124 21.11_554.1989m/z 554.1989427 21.11 2121.9995 1763.0593 2019.3139 2070.9108 2051.4037 1866.7357 21.11_563.2015m/z 563.2015424 21.11 1363.6711 1160.9948 1365.4335 1272.6175 1179.5111 1273.9157 21.11_570.7131m/z 570.7131121 21.11 6776.4439 5824.8879 6540.5915 6413.2883 6488.6143 6501.0680 21.11_73.9456n 74.95370977 21.11 5581.9076 4915.3451 5262.2025 5246.1021 5164.1664 5162.7717 21.13_148.9545n 131.9512466 21.13 48422.5483 41850.7901 45761.2742 45894.3698 45255.8355 45475.2068 21.13_273.7947m/z 273.7947429 21.13 324.0633 264.1770 284.5862 274.6849 303.3293 275.1513 21.13_276.8245m/z 276.8245332 21.13 127.7845 83.1207 32.5546 90.2674 60.5068 113.7817 21.13_356.2940n 357.3012785 21.13 3792.1345 3218.9619 3640.8886 3655.1394 3661.8260 3611.1456 21.13_438.2536m/z 438.2536361 21.13 1489.0106 1368.6330 1449.3476 1470.4660 1435.0966 1540.9813 21.13_525.7260m/z 525.7260383 21.13 6184.0300 5325.3687 5904.2040 5943.6828 5880.1395 5816.8112 21.13_574.7042m/z 574.7042004 21.13 11418.7878 9464.4650 10650.4847 10498.4321 10629.3263 10346.7006 21.13_577.1909m/z 577.1908631 21.13 1091.8064 973.3803 985.1639 966.6413 997.0317 968.9287 21.13_72.9378m/z 72.93776293 21.13 3056.3974 2632.4787 2911.8094 2920.3407 2854.5859 2815.7675 21.14_218.3695m/z 218.3695381 21.14 226.5831 190.2042 202.8998 205.6390 223.0738 218.1144 21.14_261.8456m/z 261.8456254 21.14 2440.9994 2082.5629 2251.3338 2347.7634 2251.6077 2294.2071 21.14_496.7155m/z 496.7155306 21.14 6989.7367 5670.5031 6640.6381 6419.0544 6490.8993 6402.0035 21.14_55.9344m/z 55.93444085 21.14 146.7203 127.7349 146.1139 135.1748 136.2071 133.4259 21.14_85.9453m/z 85.9452586 21.14 1982.9062 1691.8275 1887.4759 1836.8481 1866.8186 1837.8996 21.15_253.3408m/z 253.3407777 21.15 476.3910 445.3773 468.4258 511.3265 463.3125 495.9771 21.15_284.3335m/z 284.3335183 21.15 2572.6385 2272.4003 2424.5108 2490.7218 2506.9321 2499.9689 21.15_511.7983m/z 511.79835 21.15 4952.5456 4342.8126 4829.5454 4850.1452 4761.8381 4765.5012 21.15_73.9453m/z 73.94529409 21.15 987.0931 874.2842 917.3380 931.7558 928.0115 898.2302 21.16_260.3541m/z 260.3541405 21.16 152.1534 108.7449 125.4953 132.3779 161.4503 132.2060 21.16_323.0206m/z 323.0205943 21.16 1242.2334 1046.3475 1169.5393 1140.6018 1082.0316 1117.4757 21.17_340.8659m/z 340.8658955 21.17 4251.0365 3479.3848 4005.9747 3851.4811 3993.9388 3880.1784 21.18_165.9381m/z 165.9381311 21.18 1906.3604 1694.8825 1781.6161 1854.5955 1764.6457 1823.6094 21.18_173.0288m/z 173.0288478 21.18 1513.7257 1265.2123 1406.6330 1410.9036 1294.3368 1334.7318 21.18_266.8886m/z 266.8885537 21.18 1730.9256 1437.5903 1579.6005 1579.1523 1585.5460 1685.3798 21.19_235.8721m/z 235.8721423 21.19 410.9099 352.7191 365.0380 399.8376 315.4306 360.2155 21.20_278.8925m/z 278.8925187 21.20 1883.7200 1555.9488 1799.0738 1720.2907 1745.1152 1721.0828 21.23_140.0060m/z 140.0060335 21.23 1401.0961 1168.2543 1330.3020 1344.6845 1241.7392 1295.8512 21.24_108.9762m/z 108.9762109 21.24 221.3749 173.3368 179.7426 199.3982 180.6806 197.4771 21.24_158.0060n 141.0027552 21.24 21428.2183 18309.9196 20423.6285 20059.3234 19380.1605 19308.6832 21.24_307.0482m/z 307.0481794 21.24 1163.9042 994.3150 1042.1749 1051.6065 1036.1649 985.9721 C18H15As Triphenylarsine MEDIUM 21.27_112.9717m/z 112.9716684 21.27 476.8029 425.0991 465.8067 468.9793 450.9986 448.6419 21.28_181.9330m/z 181.932962 21.28 9760.5090 8474.5324 9387.1030 9340.1545 9268.0665 9062.4463 21.28_265.9281m/z 265.9281297 21.28 1138.1724 945.5612 1077.1823 1011.8644 1083.4468 999.6215 21.30_241.9522m/z 241.9522493 21.30 119.4283 101.1950 113.6602 97.3930 128.7961 119.0825 21.36_156.8897m/z 156.8896605 21.36 272.5902 202.2958 261.0550 220.6479 275.5465 218.9329 21.36_209.9280m/z 209.9279866 21.36 16161.1954 13748.7743 15234.9525 15333.0725 15212.1745 15298.1565 21.37_151.9226m/z 151.9225913 21.37 6780.9636 5917.3169 6473.9898 6540.3539 6455.3274 6536.5525 21.39_178.9105m/z 178.9104603 21.39 8398.9578 7140.9935 7879.6690 7964.7008 7862.4449 7882.6957 21.40_153.9129m/z 153.9129218 21.40 1212.8033 1054.4939 1068.2839 1124.0880 1168.0043 1146.1877 21.57_307.0481m/z 307.0481337 21.57 144.6842 113.0602 135.1120 121.8746 130.1645 130.7859 21.59_154.9798m/z 154.9798253 21.59 3038.5732 2609.8616 2929.4091 2968.0700 2782.7496 2746.6345 21.74_247.8943m/z 247.8942754 21.74 1444.4607 1201.3512 1317.6092 1311.2969 1323.4882 1286.4549 21.74_278.8813n 279.8666211 21.74 3126.6566 2523.7995 2864.1042 2832.1567 2806.9085 2714.5935 21.75_136.9311m/z 136.931064 21.75 2681.3126 2346.7431 2587.3302 2574.7351 2611.2077 2532.3765 21.75_223.9078m/z 223.907802 21.75 5850.7018 4836.5245 5544.6838 5517.7917 5369.0578 5332.8615 21.80_145.9309m/z 145.9309248 21.80 483.0397 392.3454 459.9413 455.7561 463.9730 443.1997 21.89_162.9379m/z 162.9378539 21.89 300.5517 230.5661 254.5070 253.6242 254.5118 243.1812 21.91_195.9130m/z 195.9130419 21.91 2366.3322 1954.7244 2257.3199 2224.5492 2239.8332 2167.6074 21.94_166.9595m/z 166.9595352 21.94 402.5765 324.1399 367.7435 346.5179 372.5989 368.4870 3.00_293.0749m/z 293.074881 3.00 6097.2571 4898.4798 5616.5595 5185.6927 5762.8205 5687.6065 C11H11F3N2O4 2-hydroxyflutamide MEDIUM 3.00_321.0764m/z 321.0764406 3.00 553.6092 526.6249 634.7895 574.4467 602.8934 569.6497 3.00_371.0529m/z 371.0528652 3.00 2191.7208 2183.7246 2072.6145 1809.0728 2165.4233 2196.2181 3.00_669.0952n 652.0919563 3.00 1283.6454 1556.9219 1317.5557 1398.7688 1280.5441 1247.7110 3.02_141.0549n 124.0515847 3.02 7999.1005 7759.8118 7307.3575 6786.9485 7489.6123 7256.3534 3.02_166.0528n 167.0575669 3.02 88311.3762 84072.2615 80354.7444 76084.6268 83856.3328 81240.0485 3.02_167.0953m/z 167.0953045 3.02 1120.5221 1021.4181 921.1271 994.4270 1022.1428 1056.9589 C12H12N2 "1,2-Diphenylhydrazine" MEDIUM 3.02_167.1628m/z 167.162819 3.02 2285.1722 2231.2474 1953.1155 1715.1240 2061.6072 1825.4076 3.02_229.0349m/z 229.0349106 3.02 590.9694 494.6427 541.8958 516.4731 571.2587 520.1796 3.02_269.0975m/z 269.0974892 3.02 1830.2985 1886.3777 1843.1907 1868.8858 1857.2894 1821.4408 3.02_276.1432m/z 276.1431992 3.02 7844.6578 8501.6868 8041.2850 8458.3627 8129.4378 8305.8252 C17H24O4 Trichodermin MEDIUM 3.02_387.0391m/z 387.0390604 3.02 2187.0090 2137.5888 1886.0811 1829.6466 1972.2001 2035.6875 3.02_471.1717m/z 471.1716676 3.02 643.0775 665.7727 614.3048 615.7545 604.0532 609.5521 3.02_575.1940m/z 575.1940304 3.02 1632.5826 1773.8958 1712.9332 1698.6542 1704.7983 1634.4054 3.02_628.1137m/z 628.1137191 3.02 339.8482 533.0226 313.0202 412.3683 317.1727 390.3566 3.02_96.0529m/z 96.05292647 3.02 141.1942 105.8802 170.3955 153.0560 161.5036 140.4055 3.03_155.0588m/z 155.0588163 3.03 5468.1915 5587.0255 5567.0261 5740.0144 5430.4851 5672.8686 3.03_183.0524m/z 183.0524052 3.03 30377.3317 29392.0180 33172.9095 34957.0255 31360.3066 34387.4188 C6H6N4O3 1-Methyluric acid 1-Methyluric acid HMDB03099 MEDIUM 3.03_188.1278m/z 188.1277981 3.03 364.2105 388.1445 446.7679 418.9787 431.5028 409.6385 C14H20O "2,4-Di-tert-butylphenol" MEDIUM 3.03_220.9982m/z 220.9981781 3.03 337.3914 255.2545 298.3007 333.5982 276.8973 302.8138 3.03_267.0035m/z 267.0034927 3.03 1592.2426 979.7691 1616.5944 1646.8663 1481.2905 1543.5237 3.03_282.9762m/z 282.9761619 3.03 256.1918 155.9430 205.5753 246.3385 227.7294 218.6209 3.03_285.9696m/z 285.9696462 3.03 250.6975 176.0315 178.7784 213.0458 184.5188 178.8753 3.03_299.1553m/z 299.1552577 3.03 787.8476 702.8343 818.6899 799.3917 780.5304 696.5345 3.03_302.2067m/z 302.2066911 3.03 1163.0459 1220.2490 1298.2774 1274.9153 1222.4579 1294.1480 3.03_468.0129m/z 468.012908 3.03 657.3524 486.4811 669.4390 599.6699 612.0935 597.7215 3.03_487.1020m/z 487.1019947 3.03 763.3012 829.1738 804.3158 771.9941 793.6477 769.8845 3.03_613.0780m/z 613.0780475 3.03 3318.4090 3720.1800 3520.1188 3614.3976 3348.2684 3662.7766 3.03_730.1368m/z 730.1367822 3.03 994.8127 1046.1197 1077.0817 1159.0637 1065.9930 1121.6843 3.04_196.1428m/z 196.1427707 3.04 535.5913 572.4453 564.0203 593.0552 590.5874 610.6720 3.04_267.1328m/z 267.1328037 3.04 328.0751 439.2089 391.8752 378.4742 414.5894 375.2530 C13H18N2O4 Chlorprocarb HIGH 3.04_320.1691m/z 320.1691 3.04 435.7550 467.1913 517.5372 508.7761 515.0023 481.5449 3.04_361.0755m/z 361.0755067 3.04 1098.6379 1202.7979 1107.4479 1130.1675 1056.8636 1118.7752 3.04_457.0735m/z 457.0735157 3.04 824.3869 656.5956 845.9749 796.6333 832.6268 730.9150 3.04_457.5732m/z 457.5731705 3.04 87.7625 75.3848 114.9215 114.2093 92.3611 107.7987 3.04_510.1476m/z 510.147635 3.04 2920.4082 3366.0748 3344.9663 3629.7524 3292.8235 3488.1089 3.04_548.0946m/z 548.0946381 3.04 2727.0895 2523.1433 3088.2549 3112.8827 2832.4261 2940.5906 3.04_558.0993m/z 558.0992804 3.04 999.4970 1003.5912 1014.8302 1065.3272 973.5592 1086.3606 3.04_564.0780m/z 564.0779512 3.04 1347.6455 1319.1548 1438.4252 1483.2854 1362.4105 1400.3688 3.04_620.6221m/z 620.6221047 3.04 158.5993 139.1199 153.0357 181.8611 169.0029 181.2039 3.04_742.1459n 726.1233126 3.04 1374.7507 1462.0132 1435.8205 1431.7994 1388.1695 1408.9317 3.04_765.6945m/z 765.6945094 3.04 63.4208 69.3808 75.7589 95.8696 53.7660 84.6449 3.04_784.6703m/z 784.6702579 3.04 115.6271 115.4054 79.0155 117.3678 121.6888 118.9864 3.04_838.1811n 861.1997561 3.04 486.8255 530.6053 470.6403 550.8514 424.2059 526.5309 3.04_875.1868m/z 875.1868472 3.04 728.5457 815.2810 761.1213 772.7014 722.4981 827.1193 3.04_940.1688m/z 940.1687519 3.04 480.9845 481.9568 452.6570 462.9145 420.2954 455.4512 3.05_109.0567n 110.0611165 3.05 9664.0497 10060.9877 10099.0618 10557.6176 10222.2255 10453.2671 3.05_151.0644n 152.0717118 3.05 75875.2650 78783.0645 78993.8263 82310.3730 80201.1632 81891.3295 C8H9NO2 2-Phenylglycine 2-Phenylglycine HMDB02210 HIGH 3.05_152.1075m/z 152.1075011 3.05 908.4358 831.0171 909.8311 928.1196 889.3434 954.9613 C9H13NO Phenylpropanolamine Phenylpropanolamine HMDB01942 MEDIUM 3.05_152.1719m/z 152.1719353 3.05 1385.6905 1448.8210 1453.8970 1507.7719 1422.3421 1404.5010 3.05_327.0963n 350.0850815 3.05 99950.4563 102362.9689 103386.3103 107342.1998 104879.1348 107898.3209 3.05_479.1668m/z 479.1667824 3.05 8103.5590 9591.7437 8773.2470 8860.6865 8878.6851 8956.3407 3.05_654.1921n 655.1993322 3.05 94819.7243 109655.3368 101076.7044 102351.0617 102800.3804 104299.6117 3.05_691.1537n 709.1176296 3.05 6747.6155 6850.9367 6808.0284 7201.3235 6884.8093 6860.9275 3.05_784.1633m/z 784.1632979 3.05 443.1859 483.4143 546.1955 581.8101 498.1182 545.3108 3.05_791.6506m/z 791.6505858 3.05 111.2887 98.2620 115.7305 98.3403 107.0943 125.6197 3.05_85.0291m/z 85.02908363 3.05 280.2055 311.3682 324.1207 321.0740 311.8691 318.4206 3.05_890.1544m/z 890.1544403 3.05 888.9529 826.5516 878.1154 980.8808 890.4168 892.1233 3.05_898.2091n 881.2058179 3.05 1133.9530 1274.7909 1202.6948 1349.0160 1143.9667 1281.1489 3.05_947.7177m/z 947.7177358 3.05 287.8197 308.4386 313.6185 326.7943 267.6460 340.0154 3.05_948.2163m/z 948.2162506 3.05 296.9983 280.4903 256.2465 289.7988 269.5646 283.9456 3.05_955.1942m/z 955.1942485 3.05 327.0441 336.8792 299.0369 380.2174 279.9929 321.2734 3.05_955.6998m/z 955.6997544 3.05 128.3294 139.7228 119.2383 120.2016 128.7945 156.8965 3.07_224.0011m/z 224.001111 3.07 575.8806 410.7712 534.1853 521.1680 545.1360 525.0007 3.07_250.5560m/z 250.5559694 3.07 33.9164 25.3901 39.0383 24.3538 37.2857 34.6734 3.07_254.1611m/z 254.161098 3.07 13266.7027 13580.1458 13538.0107 14126.0013 13681.7199 14114.9187 3.07_259.1653m/z 259.1653246 3.07 158.7569 137.6819 155.6836 174.8910 159.8142 171.7187 3.07_259.5618m/z 259.5617564 3.07 152.0726 131.7626 150.4579 173.1279 136.2566 157.9801 3.07_278.0337m/z 278.0336753 3.07 1198.7677 991.7580 1121.8725 1143.0800 1094.0994 1165.5967 3.07_330.0284m/z 330.0284355 3.07 239.0903 179.2195 215.4011 219.3073 185.8567 207.2783 3.07_347.5777m/z 347.5776908 3.07 175.2124 164.4163 169.2985 148.6383 164.3881 168.4752 3.07_358.1251m/z 358.1250854 3.07 4086.8699 4264.7946 4167.8593 4198.4345 4135.1217 4121.2831 3.07_366.5517m/z 366.5517077 3.07 177.6063 135.9606 146.8072 172.5902 160.1382 153.8099 3.07_382.0223m/z 382.0222642 3.07 2790.3955 2419.2224 2737.9451 2730.4393 2663.6049 2656.4841 3.07_383.0546n 366.0512762 3.07 17010.0476 14518.2987 16230.7626 16927.1961 15953.8188 16518.1521 3.07_389.0131n 412.059008 3.07 3390.2480 3066.8453 3173.7834 3354.7059 3145.3139 3285.3045 3.07_441.5814m/z 441.5814258 3.07 199.6590 164.8787 179.0538 175.6094 173.7778 185.5581 3.07_503.1880n 526.174444 3.07 1480.2396 1650.3260 1558.8439 1621.2461 1543.3018 1576.9559 3.07_529.5974m/z 529.5973714 3.07 834.0835 627.3975 736.0573 768.5159 784.9695 716.3082 3.07_537.5841m/z 537.5841224 3.07 246.3472 182.0033 195.5006 228.6871 200.1146 224.3918 3.07_572.2451m/z 572.2451051 3.07 863.0464 887.2108 852.4692 883.9080 902.3303 936.6905 3.07_693.1459m/z 693.1459216 3.07 29837.2269 29794.2190 30287.2800 31577.3205 30762.3985 31195.6813 3.07_693.6469m/z 693.6469467 3.07 498.7207 391.5564 467.5411 431.3476 411.1679 454.3849 3.07_701.6324m/z 701.6323645 3.07 199.7877 123.9940 151.4172 180.1566 162.1152 155.8456 3.07_716.1632n 699.1599551 3.07 2009.7783 1772.3522 1870.0561 1905.7921 1880.5877 1847.6679 3.07_718.1231n 719.1113164 3.07 1877.4265 1786.4887 1856.5735 1932.9063 1799.2253 1872.1523 3.07_791.1178m/z 791.1178259 3.07 776.6719 712.7417 741.9379 742.8031 696.7955 805.8681 3.07_837.7185m/z 837.7185155 3.07 327.0205 331.4209 329.9885 290.7963 321.4112 307.6118 3.07_838.2205m/z 838.2204758 3.07 303.1897 318.1475 283.7248 288.5047 268.1127 289.0638 3.07_856.6971m/z 856.6970966 3.07 330.7677 289.3681 300.3373 314.1789 332.2326 305.6907 3.07_857.1961m/z 857.1961441 3.07 361.7507 332.7914 346.7939 342.9004 321.8003 343.6699 3.08_114.0335m/z 114.0334735 3.08 109.4090 117.4235 99.5179 110.9198 116.4189 119.2541 3.08_180.0889m/z 180.0888812 3.08 18126.9503 18825.2821 18169.9517 18622.1528 17972.9908 18590.2792 3.08_370.0662m/z 370.0661903 3.08 982.8399 972.1293 911.1106 977.4174 920.3354 983.8189 3.08_386.1432m/z 386.1432035 3.08 1549.3296 1681.7653 1542.6956 1613.8959 1526.3169 1611.3564 3.08_581.2618m/z 581.2618054 3.08 225.8009 285.4101 250.3472 276.7703 221.2646 272.4011 3.08_712.6218m/z 712.6217991 3.08 161.9394 162.1736 152.7361 259.4406 215.8939 165.1454 3.08_728.1978m/z 728.1978113 3.08 429.9159 467.7218 452.2760 471.8088 402.5538 425.9351 3.08_906.1724m/z 906.172442 3.08 231.0727 143.7138 132.0937 131.1266 160.4499 166.2848 3.09_194.9600m/z 194.9600359 3.09 320.3699 231.6363 292.8025 293.3347 260.0678 252.1822 3.09_199.1211n 182.1178379 3.09 3313.1445 3706.7537 3362.7112 3609.8773 3437.5346 3590.5432 3.09_313.1628n 314.1108104 3.09 2816.3583 3018.5021 2887.9272 3026.9826 2834.2142 2865.2974 3.09_504.1927m/z 504.1927365 3.09 1846.5718 1919.1917 2046.9129 2039.4127 2001.8334 1895.0502 3.09_631.1120m/z 631.1119831 3.09 1593.4833 1801.8664 1643.1084 1702.5486 1619.4908 1637.5833 3.09_694.2454m/z 694.2454313 3.09 8448.8773 7864.2563 8563.3656 9108.1723 8814.5988 8150.8375 3.09_912.1960m/z 912.1959644 3.09 600.2610 714.1323 652.1026 631.1145 653.0392 628.9028 3.10_128.0609m/z 128.0609097 3.10 1901.2123 1973.7454 1947.0433 1962.2504 1890.5002 1939.1615 3.10_143.0732m/z 143.0731685 3.10 451.7559 481.5805 462.5089 465.1452 441.5832 441.3513 3.10_160.0750m/z 160.0750171 3.10 1235.4198 1337.1319 1246.1510 1268.7457 1221.6998 1265.2976 3.10_247.1065m/z 247.1065259 3.10 6544.0475 7294.6382 6838.0122 7036.5300 6921.4180 7064.5955 3.10_254.0810m/z 254.0809543 3.10 886.6844 995.2657 960.4742 895.3534 958.5151 922.9844 3.10_271.5735m/z 271.5734979 3.10 79.8799 36.8419 90.4296 83.5861 74.6149 61.6310 3.10_331.1227m/z 331.1226525 3.10 6037.8109 6469.5088 6065.4071 6311.5218 6083.2592 6255.5847 3.10_366.1422n 367.1502407 3.10 96593.4011 107765.6437 103428.7159 105737.6199 105023.5731 103969.9693 3.10_402.1714m/z 402.1714091 3.10 1242.0825 1261.2908 1222.0577 1257.4976 1175.7546 1228.5166 3.10_585.1076m/z 585.1076134 3.10 2628.6515 2932.9343 2936.2729 2833.5953 2857.4905 2998.1345 3.10_587.1015m/z 587.1014785 3.10 1704.9864 1899.6826 1767.2001 1802.0088 1695.3612 1761.4235 3.10_950.1459m/z 950.145917 3.10 102.3092 85.9859 96.9345 92.2435 85.2068 74.4465 3.11_124.0075m/z 124.0074631 3.11 138.7093 104.8080 137.3345 130.3876 117.8881 133.4455 3.11_136.0397m/z 136.039719 3.11 2347.4965 2626.4092 2272.0056 2387.4400 2290.7376 2445.8184 3.11_182.9967m/z 182.9966948 3.11 938.8052 751.7833 856.3184 896.2788 836.9523 822.0687 3.11_185.9852m/z 185.9852458 3.11 142.0610 128.5895 136.0128 130.3662 115.3104 124.3107 3.11_186.0353n 204.0823047 3.11 2036.9663 2077.4778 1974.5545 2115.2927 1935.4785 2028.2766 3.11_194.5418m/z 194.5418394 3.11 85.3494 70.7764 81.9197 81.7129 85.0892 81.2737 3.11_219.0572n 242.0461748 3.11 7994.2685 7675.0386 7629.5472 8002.4618 7684.9319 7726.6313 3.11_258.0114m/z 258.0113521 3.11 537.9412 387.8103 506.8699 516.2415 467.4805 479.3406 3.11_477.0672m/z 477.0672198 3.11 1764.1662 1756.3451 1801.4303 1840.1113 1743.1106 1747.1983 C13H19N4O12P SAICAR 18319 MEDIUM 3.11_669.0955m/z 669.0955105 3.11 1483.7873 1793.9835 1514.5860 1653.5718 1529.4105 1694.3720 3.11_830.1353n 814.1127291 3.11 883.6387 943.9926 847.7434 869.8721 837.7831 828.7299 3.11_88.0399m/z 88.03994394 3.11 396.6708 403.3429 403.0512 416.6080 388.1097 410.3857 C8H8 Styrene Styrene 27452 MEDIUM 3.11_922.1451m/z 922.1451381 3.11 349.8008 339.6232 326.7654 316.1145 307.8091 284.0339 3.11_961.2465n 962.2832954 3.11 477.1338 748.8615 557.3415 531.9105 595.7034 529.9402 3.11_99.0446m/z 99.04458029 3.11 61.2702 48.2155 58.9210 63.5834 51.9115 55.1668 C5H8O3 2-Oxovaleric acid HMDB01865 MEDIUM 3.12_122.0604m/z 122.0604105 3.12 482.4250 453.5464 467.7482 472.9008 444.0199 473.6191 3.12_150.0545m/z 150.0544839 3.12 5404.5846 5129.3761 5445.9447 5395.4615 5146.4224 5213.6446 3.12_230.0116m/z 230.0116271 3.12 2923.7251 2694.4869 2903.7915 2833.6641 2777.2728 2852.9826 3.12_267.9590m/z 267.9590332 3.12 298.0783 160.2977 269.1992 278.7442 291.1272 261.5451 3.12_283.0754m/z 283.0754481 3.12 977.9125 1036.0328 985.9240 1050.1625 954.0018 1007.2451 3.12_595.0597m/z 595.059725 3.12 1982.8629 1950.1660 1955.1060 2009.5651 1990.4047 1937.8462 3.12_643.1528m/z 643.1528434 3.12 784.9191 909.2463 820.4670 800.8184 806.3271 779.8067 3.12_94.0350m/z 94.03504375 3.12 37.8560 37.9221 49.6513 26.2544 22.5077 36.9638 3.13_231.0844m/z 231.0844442 3.13 7607.3414 8471.6568 7184.9011 7530.2892 7167.4552 7521.9089 3.13_313.9642m/z 313.964194 3.13 158.8237 103.2588 132.3386 128.9325 125.9001 148.6833 3.13_803.1442m/z 803.1441718 3.13 380.5854 452.5193 424.8049 381.0846 436.0227 399.5366 3.14_135.0922m/z 135.0922346 3.14 188.6850 187.5131 180.1994 199.8906 179.0525 194.7862 C8H12N2O 2-isopropyl-6-methyl-pyrimidinol 2814-20-2 MEDIUM 3.14_297.1079m/z 297.1079258 3.14 6840.6615 7477.4635 7090.1491 7241.7117 7164.3450 7278.6929 3.14_546.5839m/z 546.5838568 3.14 367.8496 486.3092 427.4171 425.9018 424.8508 436.4482 3.14_546.9174m/z 546.9174152 3.14 229.9107 325.5718 282.4610 306.1732 287.2954 274.6902 3.15_171.0874m/z 171.0874418 3.15 4644.3066 4800.4393 4504.0373 4795.8680 4532.3456 4664.1845 3.15_201.0735m/z 201.0735411 3.15 4177.4877 4023.7932 3941.0267 4194.3744 3960.9600 4128.0998 3.15_215.1386m/z 215.1385993 3.15 119.2171 153.4249 141.8331 142.7889 140.5460 134.2563 3.15_226.1429m/z 226.1429134 3.15 657.5670 757.5621 759.4495 789.9236 756.7807 703.3896 3.15_369.0630m/z 369.063016 3.15 900.3450 976.9034 831.4389 909.1846 845.3699 936.2134 3.15_513.1285m/z 513.1285496 3.15 3075.9498 3428.9842 3222.1813 3213.2540 3188.5656 3264.4180 3.16_156.0660m/z 156.0660008 3.16 3164.0599 3186.3421 3193.1390 3242.8901 3183.8540 3147.0127 3.16_194.0808m/z 194.0808299 3.16 2264.3807 2228.1452 2330.1449 2307.4446 2318.5113 2307.4240 3.16_267.1329m/z 267.1329095 3.16 1474.7754 1750.1522 1507.5468 1582.0597 1558.1266 1637.5204 3.16_275.0372m/z 275.0372148 3.16 154.8955 111.5928 109.5365 108.5342 83.3984 138.1991 3.16_288.5406m/z 288.5405654 3.16 264.3654 253.5007 262.3137 249.1254 269.2008 284.0890 3.16_291.0928m/z 291.0928247 3.16 2919.2398 2861.3875 2837.1998 3013.3474 2979.1097 2851.2848 3.16_310.1745m/z 310.174526 3.16 1351.7515 1592.2515 1368.6476 1461.4181 1391.1655 1511.5972 3.16_576.0981m/z 576.0981178 3.16 1048.1946 1104.3418 1055.9922 1053.2820 1072.4591 1030.2782 3.17_130.0627n 148.1119174 3.17 392.5672 456.0294 398.0371 418.9306 422.0835 410.2428 C6H10O3 Ketoleucine Ketoleucine HMDB00695 MEDIUM 3.17_212.0894m/z 212.0893784 3.17 2577.8578 2489.0806 2595.8660 2611.9470 2571.7012 2572.8226 3.17_235.1047m/z 235.1047316 3.17 899.0226 890.2157 874.0143 865.2760 892.6020 863.4527 3.17_247.5806m/z 247.5805957 3.17 120.4854 131.1164 134.9360 130.3865 120.6232 125.2575 3.17_274.1644m/z 274.1644498 3.17 1586.8750 1868.9335 1773.9028 1828.1433 1799.1702 1825.9547 3.17_309.6117n 332.615299 3.17 89.2114 112.9747 82.7087 123.5196 86.3154 117.5003 3.17_538.1235m/z 538.1234568 3.17 3290.9579 3645.5343 3456.5191 3508.6286 3403.6393 3449.6371 3.17_580.2612m/z 580.261179 3.17 216.9610 357.1703 266.6515 270.9877 318.3263 263.0595 3.17_580.5971m/z 580.5970841 3.17 184.1243 242.5784 224.6962 193.7290 233.7389 221.4050 3.18_170.0449n 153.0415773 3.18 9033.0165 9465.9149 9297.8561 9511.6584 9367.1815 9521.3001 3.18_233.0329m/z 233.0328761 3.18 2760.6172 2581.3672 2589.3903 2671.1044 2603.3660 2664.5056 3.18_284.0745n 285.0818207 3.18 5023.1154 5021.6166 4939.9571 5095.7773 4934.1416 5097.2613 3.18_376.0930m/z 376.0930425 3.18 1563.2123 1814.6600 1644.9517 1692.0786 1616.4163 1636.9920 3.18_482.5799m/z 482.5799055 3.18 129.0468 157.9776 131.2969 133.7983 121.4462 144.3626 3.18_490.5764m/z 490.5764435 3.18 64.0449 168.2634 103.2458 86.6543 78.8296 100.7501 3.18_608.1276n 631.1452873 3.18 2201.9489 2537.5279 2366.6287 2358.4587 2307.4022 2323.7756 3.19_136.1123m/z 136.1123414 3.19 652.6774 693.1138 679.3501 712.3938 664.8248 685.7490 3.19_220.5521m/z 220.5520916 3.19 70.4364 69.8354 42.4120 58.9837 56.3218 85.0831 3.19_239.1000m/z 239.0999836 3.19 5369.7511 6201.2035 5775.0745 5750.2376 5752.0257 5867.1879 3.19_243.5547m/z 243.5546965 3.19 123.8259 133.9753 137.6975 133.4211 127.9388 131.1396 3.19_284.1483m/z 284.1483068 3.19 3933.0745 4375.5553 4105.9865 4184.3520 4208.0755 4204.1915 3.20_100.0762m/z 100.0761991 3.20 100.6873 103.6747 105.1872 114.2743 98.8781 102.8800 C5H9NO 2-Piperidinone 2-Piperidinone HMDB11749 MEDIUM 3.20_112.0762m/z 112.0761592 3.20 424.8604 463.8564 416.5014 442.2235 430.4539 444.0073 C6H11NO2 Vigabatrin Vigabatrin 63638 MEDIUM 3.20_132.0665m/z 132.066485 3.20 4942.0604 5213.5814 5254.8894 5260.4051 5148.1953 5171.6548 C5H9NO3 N-Acetyl-L-alanine N-Acetyalanine HMDB00766 HIGH 3.20_138.0918m/z 138.0917885 3.20 707.9872 772.4369 730.5658 775.4666 718.3724 783.3485 C8H13NO2 Retronecine Retronecine HIGH 3.20_177.0625m/z 177.0625361 3.20 1140.3930 1098.8502 1130.9241 1144.0742 1278.3576 1001.0196 3.20_187.0683m/z 187.0683392 3.20 1646.5601 1513.9427 1685.2442 1625.2465 1667.8724 1592.2762 3.20_223.1054m/z 223.1053527 3.20 9044.4547 7830.6688 8743.7390 8912.1311 8658.7592 9047.8019 3.20_237.5690m/z 237.5690389 3.20 38.2503 47.4547 33.3814 55.0042 35.3665 29.0633 3.20_245.1494m/z 245.1494336 3.20 10243.8931 11554.4048 10903.5586 11014.2450 10891.5546 11071.8981 3.20_267.0719m/z 267.0718676 3.20 1535.0973 1546.3568 1587.4113 1656.0970 1803.9691 1458.7022 3.20_314.1707m/z 314.1707143 3.20 3211.6712 3697.8864 3472.6973 3512.8257 3476.3576 3512.0850 3.20_436.1849m/z 436.1848842 3.20 2471.3022 2728.3788 2609.1948 2556.3624 2500.0724 2554.9972 3.21_127.0387n 110.0353627 3.21 1575.7696 1700.2924 1686.4727 1651.5769 1633.1235 1652.1864 3.21_142.0628m/z 142.0627653 3.21 907.7939 913.4342 937.5921 908.9667 910.7991 872.2966 3.21_813.3696m/z 813.369625 3.21 88.0345 153.3050 103.3169 102.2858 98.8691 117.3426 3.22_117.0798n 118.0870352 3.22 5586.9529 6179.2515 5710.1585 5935.1677 5859.2028 6035.2457 3.22_171.9820m/z 171.9820065 3.22 217.8793 162.7432 211.1897 221.0689 187.7541 210.7105 3.22_203.0256m/z 203.0255566 3.22 689.6082 555.1110 665.3035 666.4839 679.2825 658.1513 3.22_247.1286m/z 247.1286268 3.22 17553.8187 19759.3061 18419.0293 18580.8956 18589.7103 19097.4340 3.22_269.1103m/z 269.1103267 3.22 4092.2604 4101.5563 4083.7762 4161.9859 4007.9356 4119.6343 3.22_336.0835n 337.1415459 3.22 6140.5109 6049.2100 6139.7654 6289.5851 6086.6249 6152.9322 3.22_392.1339n 393.1411596 3.22 2958.7829 2992.3061 2974.1516 3048.9881 2901.3953 2929.1766 3.22_542.5819m/z 542.5819345 3.22 174.9000 229.1629 189.2438 217.8388 210.0351 200.7110 3.22_72.0811m/z 72.08112216 3.22 349.1732 387.9807 384.2187 390.4909 378.3110 399.7277 C4H11NO Dimethylethanolamine Dimethylethanolamine 271436 MEDIUM 3.22_812.8668m/z 812.8668199 3.22 89.9405 186.0672 154.7274 117.4268 131.0292 139.1355 3.23_160.0436m/z 160.0436341 3.23 717.7449 737.7115 726.5407 733.5290 679.6823 728.2943 3.23_323.1052m/z 323.1052333 3.23 5757.0772 6386.3529 6044.9810 6075.4548 6013.1848 6077.7293 3.23_383.1181n 367.0955298 3.23 11450.8815 12554.5601 12364.9211 12208.6349 11982.3274 12222.4131 3.23_441.1196m/z 441.1195715 3.23 1038.6810 1041.0068 1085.7510 1082.8847 1031.1183 1054.8368 3.23_468.1937m/z 468.1937121 3.23 2021.1364 2228.3194 2072.3593 2074.2889 2055.0204 2137.4038 3.24_183.0800n 167.0574452 3.24 45912.6734 49099.6291 46894.3514 47283.8048 46587.9525 48981.3871 3.24_263.1526m/z 263.1526365 3.24 313.4841 375.0190 323.3552 310.5769 349.2667 352.2491 C16H20N2 Costaclavine MEDIUM 3.24_266.9808m/z 266.9808453 3.24 455.2801 347.0172 426.1837 349.0474 354.3630 449.1229 C7H11NO7P2 Risedronate 183772 MEDIUM 3.24_371.0648m/z 371.0648333 3.24 3038.0189 3112.1729 3189.0407 3081.1873 3007.9856 3117.0664 3.24_478.0990m/z 478.0990172 3.24 1000.4623 966.9235 1009.3495 1001.8791 1017.7310 1023.2750 3.24_488.2313m/z 488.2313003 3.24 421.2523 504.2084 478.4160 472.3735 482.2979 481.5241 3.24_521.1359m/z 521.1359481 3.24 6772.0778 6690.2746 6855.6061 6971.5068 6810.2557 7315.4034 3.24_687.1852m/z 687.1852177 3.24 11637.1519 11403.3747 11823.9287 11870.3978 11739.8931 12833.2561 3.24_96.0557m/z 96.05569889 3.24 314.7941 321.0194 307.8213 305.0876 321.5922 301.2737 3.25_107.0488m/z 107.0488452 3.25 856.2655 815.8375 827.0540 841.4511 827.8416 822.3718 3.25_119.0771n 120.0813868 3.25 30317.9734 30647.4601 30308.7746 30743.2506 30592.6220 31290.6999 3.25_148.0413m/z 148.0413132 3.25 1051.5260 958.4280 1010.3406 977.7118 1067.6582 1055.3392 3.25_166.0865m/z 166.0864826 3.25 7784.3153 8792.9550 7556.3947 7988.9793 7854.5237 8232.0438 C9H8O2 trans-Cinnamic acid Trans-Cinnamic acid HMDB00930 HIGH 3.25_172.1610n 173.1652033 3.25 2563.4160 2421.3928 2572.6683 2652.2262 2678.9215 2753.7067 3.25_77.0392m/z 77.03917644 3.25 148.6096 133.4725 143.5523 158.2716 150.3071 153.1917 C6H6O Phenol Phenol 15882 MEDIUM 3.25_79.0549m/z 79.05493524 3.25 58.3305 65.3411 56.2332 51.2601 46.2339 63.5645 3.25_86.0971m/z 86.09713041 3.25 738.4602 767.7059 747.9828 775.4604 765.8744 771.4563 3.25_91.0548m/z 91.05476348 3.25 186.9717 199.6718 185.9942 187.2263 164.3464 186.2239 3.25_93.0702m/z 93.07024026 3.25 412.7919 440.2628 401.3165 430.4735 425.2290 424.3753 C7H8 Toluene Toluene 17578 MEDIUM 3.26_180.1384m/z 180.1383544 3.26 65.8314 88.8786 84.2729 63.5016 87.8014 55.0224 3.26_305.1270n 288.123682 3.26 5210.6566 5416.0873 5437.0442 5484.0119 5748.9200 5138.2030 C17H15N5O Zaleplon 10102 MEDIUM 3.27_144.0675m/z 144.0675273 3.27 807.1730 856.2764 832.0853 858.1453 830.9428 862.6553 3.27_397.1069m/z 397.106862 3.27 2550.9018 2819.5529 2545.2749 2650.4092 2564.3929 2704.5713 3.27_562.1617m/z 562.1616732 3.27 205.2182 274.8471 241.2303 260.7232 243.8347 240.8913 3.27_666.0914m/z 666.091364 3.27 991.9100 1144.1024 977.5389 1032.0888 1000.0839 986.7722 3.29_137.0237m/z 137.0237039 3.29 317.4147 319.8040 261.9672 280.3427 271.4820 311.6677 C7H6O4 Protocatechuic acid Protocatechuic acid HMDB01856 99-50-3 HIGH 3.29_207.0044m/z 207.0044113 3.29 919.8085 616.6974 785.2109 746.3436 784.1770 798.5243 3.29_285.9462m/z 285.9462101 3.29 1253.5047 1059.5036 1168.7262 1164.7570 1121.7845 1104.8291 3.29_286.9774n 269.9740691 3.29 11194.7856 9500.3295 10557.1448 10601.6772 10399.0772 10673.2231 3.29_316.9649m/z 316.9649295 3.29 522.9178 342.2487 457.0193 429.8108 426.0603 469.1879 3.29_432.0777m/z 432.0777268 3.29 1825.2546 1840.6005 1782.0865 1845.3426 1741.2990 1818.4185 3.29_437.0610n 421.038466 3.29 5946.4067 5689.8230 5805.3213 5961.5228 5899.0224 5857.7467 3.29_522.9762m/z 522.9762332 3.29 2154.9153 1942.9625 2048.9579 1992.8005 1924.0248 2032.2023 3.29_652.0660m/z 652.0659855 3.29 698.8307 686.1292 754.9133 725.9728 679.4007 660.2982 3.29_752.9966n 775.9783754 3.29 1534.6987 1424.4669 1532.2705 1497.0925 1542.9816 1474.2549 3.29_769.9602m/z 769.9601956 3.29 1105.7175 973.3266 944.1962 1023.1343 979.8954 1037.1772 3.29_840.0594m/z 840.0594414 3.29 106.6806 126.8060 103.2069 148.9089 90.5519 145.5944 3.29_901.0982n 919.0682752 3.29 689.8684 815.1107 604.8096 736.6383 662.4910 651.2893 3.29_905.0466m/z 905.0465886 3.29 236.7533 244.6035 208.5143 212.6765 191.2896 223.8410 3.29_938.0253m/z 938.0253452 3.29 170.1336 130.4550 132.8507 174.0319 151.5745 143.5286 3.30_152.0714m/z 152.0714283 3.30 15152.9013 15219.4234 15315.3507 15584.6742 15771.5782 15878.3017 C8H9NO2 Acetaminophen Acetaminophen 2386 HIGH 3.30_154.0853m/z 154.0853358 3.30 1403.0916 1443.9458 1375.4023 1453.3381 1376.6221 1337.9116 3.30_199.1060m/z 199.1059973 3.30 4670.1413 4708.6877 4552.1668 4827.0933 4589.1825 4653.8950 C9H11NO3 o-Tyrosine HMDB06050 HIGH 3.30_232.0276m/z 232.0275577 3.30 17120.5294 16392.0574 17242.6345 17317.3684 17455.3180 17485.5870 3.30_293.9417m/z 293.9416656 3.30 180.5086 109.7385 223.0320 149.7224 188.6498 147.9199 3.30_434.1378m/z 434.1377843 3.30 1686.4192 1742.0423 1742.8649 1731.6077 1743.3572 1692.6248 3.30_690.0773n 674.0546853 3.30 1188.0149 1332.6621 1317.8536 1256.2738 1222.2588 1290.7132 3.30_760.0416m/z 760.0416332 3.30 289.9076 358.9066 234.4904 289.7307 254.7314 256.2253 3.30_781.9998m/z 781.9998351 3.30 319.2830 234.6169 296.5332 220.1775 274.4195 259.0689 3.30_87.0689n 110.0605527 3.30 1760.5872 1807.2608 1824.0395 1848.2168 1832.0817 1834.1974 3.30_985.0199m/z 985.0199056 3.30 132.3813 185.5734 105.6114 88.0044 109.1884 121.2619 3.31_274.1635m/z 274.163474 3.31 1508.9582 1573.1424 1554.5133 1558.7625 1601.5027 1516.9016 3.31_293.1479m/z 293.1478878 3.31 872.7331 842.3681 741.7833 846.9598 770.2458 823.7993 3.31_384.1861m/z 384.1861296 3.31 1161.4092 1280.3372 1077.1912 1182.7662 1156.8340 1136.0398 3.31_642.0761m/z 642.0761039 3.31 2237.7629 2599.4679 2397.4696 2412.0149 2275.0446 2266.9059 3.31_728.9636m/z 728.9636459 3.31 508.0962 480.8224 453.4531 483.8951 463.1616 534.1309 3.31_987.9749m/z 987.9749075 3.31 177.4046 177.8276 130.5230 179.0693 173.7307 171.5232 3.32_121.0277m/z 121.0276593 3.32 1600.8144 1579.4045 1600.2722 1621.3455 1591.2693 1586.8818 3.32_168.1019m/z 168.1018936 3.32 301.3449 355.3790 318.6862 319.3581 270.1491 302.2773 3.32_412.0003m/z 412.0002733 3.32 2528.0323 2334.2656 2323.4294 2386.5256 2325.1312 2445.4948 3.32_481.9516m/z 481.9515706 3.32 493.9608 431.3761 499.6721 475.8630 459.9299 466.4067 3.32_93.0343m/z 93.03428905 3.32 227.8297 186.3522 263.2907 230.4619 242.5783 219.2905 3.33_125.0236m/z 125.0235671 3.33 3276.4034 3227.3949 3190.2904 3282.7805 3165.2063 3256.6169 C6H6O4 trans-trans-Muconic acid HMDB02349 MEDIUM 3.33_148.9912m/z 148.991164 3.33 195.6823 137.6518 174.5638 171.4037 145.1511 172.1976 3.33_180.9808m/z 180.9808341 3.33 1470.4994 1170.1398 1310.8535 1375.3505 1282.8583 1350.2928 3.33_297.9981m/z 297.9981 3.33 292.6167 255.0483 311.1112 288.7612 313.3167 271.2670 3.33_313.9637m/z 313.9636674 3.33 755.5552 571.1807 691.6399 686.4262 612.3200 689.0973 3.33_336.9828n 338.0861191 3.33 2024.2375 2011.8089 2001.1101 2004.6858 2026.1545 2000.2765 3.33_370.9737m/z 370.9736601 3.33 695.5777 562.2435 613.8577 635.9039 647.4882 656.6124 3.33_455.9904m/z 455.9904154 3.33 441.6378 380.2415 425.1926 463.0281 420.3519 409.0209 3.33_513.0388m/z 513.0387856 3.33 764.7240 743.0005 725.5322 725.6216 740.9785 746.6905 3.33_69.0344m/z 69.03439249 3.33 74.0295 84.7489 92.0827 93.1006 82.7692 91.5527 3.33_96.0215n 97.02903321 3.33 693.0366 661.2226 678.2250 716.6799 678.1867 659.3160 3.34_194.9959m/z 194.9958768 3.34 314.2411 247.6416 257.2871 296.5963 255.5550 281.3517 3.34_226.9863m/z 226.9862621 3.34 1863.1488 1654.8202 1742.4636 1903.8382 1746.8052 1787.8989 3.34_243.1697m/z 243.1697462 3.34 562.4103 494.7050 505.9539 524.9929 496.2815 497.0083 C12H24N2O4 Carisoprodol Carisoprodol 3419 MEDIUM 3.34_85.0288m/z 85.02881763 3.34 100.6073 115.3543 99.1288 104.0252 98.4843 113.1637 3.35_100.0762m/z 100.0761818 3.35 2066.3675 2122.8715 2091.1334 2122.7384 2102.9948 2148.0505 C5H9NO 2-Piperidinone 2-Piperidinone HMDB11749 MEDIUM 3.35_137.0622m/z 137.0621563 3.35 1963.6152 1972.6473 1955.0885 2016.8320 1948.8631 1930.8571 3.35_198.9917m/z 198.9916737 3.35 221.4415 210.0647 232.3169 227.6429 199.2154 226.1829 3.35_213.0769m/z 213.0768968 3.35 813.1736 788.4030 709.9328 802.4554 747.0260 779.6016 3.35_290.1595m/z 290.1594995 3.35 29720.9189 29720.5156 28960.4899 30233.3825 29939.4843 30607.4376 3.35_320.0965m/z 320.0965404 3.35 1765.8761 1755.3525 1709.4827 1785.2425 1678.2472 1761.7836 3.35_369.0549m/z 369.0548942 3.35 1042.3174 1035.5673 978.2871 1005.2223 996.9899 1017.7402 3.35_427.0845m/z 427.0845477 3.35 2627.1503 2654.6805 2533.8798 2576.3813 2543.7389 2634.1315 3.36_184.0290m/z 184.0289661 3.36 881.3687 787.1225 768.1359 851.9257 729.2492 850.3205 3.36_270.1689m/z 270.168915 3.36 1125.0855 1187.5188 1051.1267 1043.4553 1154.0654 1106.4040 C15H19N5 Rizatriptan 48273 MEDIUM 3.36_445.0931m/z 445.093059 3.36 1054.2896 1173.6516 1063.7563 1236.2326 1114.7540 1070.4377 3.37_172.0520m/z 172.0520204 3.37 5001.1913 5985.8497 4052.5589 5184.1118 4253.0044 5534.7415 3.37_209.0115m/z 209.0114994 3.37 539.7184 500.7355 493.6352 483.7946 548.2360 492.7554 3.37_238.0018m/z 238.0017593 3.37 272.6128 230.5369 272.0978 213.9171 237.7036 220.5823 3.37_246.9578m/z 246.9578289 3.37 1022.9101 761.8119 1012.8870 922.2001 955.7269 913.2969 3.37_252.9750m/z 252.9749598 3.37 689.2165 512.2843 614.8934 594.6721 629.9564 616.0693 3.37_598.1756m/z 598.1756016 3.37 817.4950 951.1789 883.0850 843.2684 816.8826 891.5611 3.38_214.0705n 197.0671701 3.38 7616.9127 7778.3460 7469.1465 7514.6647 7513.2976 7677.8240 3.38_228.1333m/z 228.1332513 3.38 521.5713 610.0272 577.3904 610.3749 605.2671 582.0359 3.38_297.1063m/z 297.1063385 3.38 6836.1613 7357.7088 6958.0777 7070.3391 7008.5414 7206.4379 3.38_362.1472m/z 362.1471546 3.38 966.1486 1060.3581 931.9779 1007.5906 951.2814 1012.1706 3.38_379.0007m/z 379.0006703 3.38 408.4681 376.3913 401.9080 411.0561 408.1022 436.1877 3.38_650.1877m/z 650.1876662 3.38 567.6270 673.5953 608.4685 620.0392 595.6417 607.6429 3.38_81.0343m/z 81.03429246 3.38 532.2695 591.3279 574.4767 607.5029 570.4030 582.9771 3.39_129.0462n 147.0894305 3.39 1140.6790 1189.2965 1173.7668 1186.6480 1150.9797 1177.5010 3.39_174.0915m/z 174.0914986 3.39 3096.4562 3617.3649 3049.8719 3332.6315 3189.2981 3415.4034 3.39_474.1722m/z 474.1722195 3.39 606.1339 675.0060 617.5718 651.0874 626.9306 638.5192 3.40_278.1014m/z 278.1013684 3.40 5473.0243 5453.9609 5288.5910 5475.9446 5267.9944 5337.4627 3.40_332.0955n 355.128107 3.40 2689.6868 3060.2171 2614.2317 2809.8242 2626.8585 2866.2292 3.40_558.7522m/z 558.752189 3.40 326.6359 403.1191 369.8431 375.9456 346.0730 427.7642 3.41_110.0355m/z 110.0354569 3.41 6192.6999 6489.4786 6241.0656 6289.3460 6210.6499 6462.2499 3.41_165.0661m/z 165.0661097 3.41 5978.7537 5338.6015 7829.8684 6434.1954 7517.4241 6247.2886 3.41_166.0504n 167.0576355 3.41 94824.1877 98151.3949 97222.7120 98364.5976 98140.8450 101171.7221 C6H6N4O2 7-Methylxanthine 7-Methylxanthine HMDB01991 HIGH 3.41_167.0949m/z 167.0949368 3.41 1172.7961 1084.3885 1077.4476 1152.9613 1162.4430 1181.3087 3.41_167.1622m/z 167.1621651 3.41 2426.7714 2700.2734 2487.8528 2512.2711 2490.7912 2489.2968 3.41_185.0276m/z 185.0275986 3.41 2050.2931 2181.3640 1779.3789 2035.3212 1893.2209 2102.0416 3.41_211.0718m/z 211.0717805 3.41 12337.9475 13270.7808 12776.8983 12988.4870 12794.8636 13262.4542 C9H12N2O5 Deoxyuridine Deoxyuridine HMDB00012 HIGH 3.41_221.0911m/z 221.0910739 3.41 9490.3390 9645.5155 9448.8022 9680.4287 9573.1602 9690.9296 3.41_251.0084m/z 251.0084116 3.41 1402.2800 1253.1399 1325.5404 1337.7342 1344.8044 1429.5973 3.41_276.1799m/z 276.1798676 3.41 1444.3688 1662.1075 1663.7735 1610.2478 1683.0036 1659.9319 3.41_300.0538m/z 300.0537595 3.41 2245.3677 2239.0226 2347.8283 2306.5307 2284.0774 2355.7783 3.41_314.0858m/z 314.0857784 3.41 3481.1666 3596.5786 3530.0513 3590.6717 3531.8811 3638.7525 3.41_371.0598m/z 371.0597966 3.41 1142.4370 1141.7682 1174.7877 1191.3490 1158.2334 1144.8297 3.42_132.0460m/z 132.0460306 3.42 1037.2694 1025.5338 1031.7793 1056.9264 999.6952 1036.3390 3.42_158.0609m/z 158.0609017 3.42 2561.4311 2690.6132 2584.0952 2672.2347 2563.9663 2683.6443 3.42_180.1009m/z 180.1008753 3.42 990.8697 1067.6021 993.4012 1021.8325 1068.7546 1024.3140 3.42_190.1438m/z 190.1437892 3.42 265.8570 310.3192 274.6353 293.3840 281.9550 293.8375 3.42_272.1103m/z 272.1103385 3.42 6507.3138 7277.0464 5973.5954 6749.1841 6168.1840 7080.6967 3.42_516.6628m/z 516.6628137 3.42 195.4724 213.4887 195.8192 173.8830 203.7144 231.5947 3.43_164.1070m/z 164.1069904 3.43 728.5521 891.5544 785.0470 792.8344 802.4367 847.4783 C10H10O Benzylideneacetone 217301 MEDIUM 3.43_310.0891m/z 310.0891032 3.43 1180.2531 1184.5480 1174.2613 1180.3990 1176.4815 1159.1592 3.43_321.1083n 305.0856992 3.43 5423.4477 4454.1764 5103.5828 5191.3717 4994.4027 5162.9163 3.43_342.1570m/z 342.1569887 3.43 1235.8070 1689.8630 1181.6743 1346.4685 1237.9862 1381.9900 3.43_384.1871m/z 384.1870571 3.43 3014.4631 3605.2748 3400.9540 3370.9126 3395.4585 3402.4378 3.43_428.2002m/z 428.2002298 3.43 656.8950 717.4228 695.7745 672.7964 714.0453 688.7475 3.43_554.2034m/z 554.2034405 3.43 783.0135 620.3258 712.5342 727.0589 675.5006 691.6347 3.44_151.0622m/z 151.0622003 3.44 22070.5906 24545.6090 22848.9306 22933.6179 22772.9450 23526.3728 3.44_166.0328m/z 166.0328168 3.44 2050.8954 2242.3518 2174.9627 2110.4038 2055.7756 2158.8287 C5H14AsO+ Arsenocholine MEDIUM 3.44_170.1541m/z 170.1541113 3.44 51.5217 110.4128 68.7044 78.0659 93.3039 84.4689 3.44_172.1211n 195.110398 3.44 4719.9002 4610.8863 4610.4920 4531.3792 4626.1868 4705.4270 3.44_180.0119m/z 180.0118727 3.44 1964.2950 2119.4903 2007.3084 1980.2506 1954.3501 2064.7385 3.44_182.0269m/z 182.0268767 3.44 7387.5126 7545.6577 7907.4954 7722.0641 7899.6530 7848.0489 3.44_224.0653n 208.0427665 3.44 10138.1629 11035.9953 10662.0483 10650.0008 10653.8012 10815.7154 3.44_236.0895m/z 236.0895144 3.44 720.4281 779.6874 710.3674 748.6683 724.8179 754.0856 3.44_269.0598m/z 269.0597758 3.44 2528.7578 2540.4736 2536.5355 2578.5836 2526.7229 2595.5308 3.44_270.0680n 271.0752513 3.44 28417.0221 30591.9952 30573.5902 29884.8741 30728.6846 30640.4687 3.44_283.1041m/z 283.1041367 3.44 5100.5392 5490.8304 5181.7182 5226.5901 5249.9783 5350.0731 3.44_323.1046m/z 323.104586 3.44 10036.0716 10544.6655 10386.7513 10581.7962 10584.9446 10756.8026 3.44_383.1198n 367.097231 3.44 14866.1627 16674.1908 15950.1899 16019.3379 16191.7952 16612.1156 3.44_386.1056m/z 386.1055876 3.44 2326.0850 2454.6864 2376.6551 2436.4496 2367.6487 2399.4774 3.44_564.1926n 587.1809771 3.44 2980.3794 2308.4369 3003.8658 2927.7407 2780.5596 2909.0643 3.44_579.0899m/z 579.0898627 3.44 1734.5204 2014.3854 1773.5922 1783.9490 1715.6213 1820.2040 3.44_94.0407m/z 94.04073192 3.44 109.4511 131.7408 118.1327 127.4827 125.7845 132.4877 3.44_96.0448m/z 96.04477578 3.44 406.4722 416.6576 427.8763 434.9765 408.4597 430.1196 3.45_107.0321m/z 107.0321114 3.45 308.7387 276.8423 272.9289 274.5432 278.6031 287.2589 3.45_227.0495m/z 227.0494957 3.45 2391.5951 2469.4024 2365.5314 2459.1360 2368.0102 2457.5098 3.45_256.9428m/z 256.9428469 3.45 634.0636 452.7460 533.9166 564.8387 554.6854 609.6660 3.45_316.0949m/z 316.094889 3.45 4257.2215 4453.6358 4318.0643 4288.1932 4235.3364 4445.1021 3.45_334.1658m/z 334.1658494 3.45 597.1464 676.6004 610.4912 660.2763 628.4552 612.0409 3.45_500.6730m/z 500.6729733 3.45 72.7419 96.1880 68.1464 73.4037 82.1466 85.7980 3.46_173.0810m/z 173.0809857 3.46 10491.7328 10726.4000 10910.4809 10774.1033 10753.9000 10908.7112 3.46_232.1553m/z 232.1553342 3.46 132151.1659 135497.3145 136081.6694 136112.1800 137510.3277 140261.7222 3.46_232.2787m/z 232.2786553 3.46 3109.6258 3350.5223 3233.3236 3201.4520 3173.4252 3179.2876 3.46_295.0867m/z 295.0867248 3.46 6377.3622 6527.0025 6390.5270 6426.7564 6369.0381 6407.5001 3.46_396.1495m/z 396.1494961 3.46 1332.5107 1471.2475 1458.7268 1441.3539 1398.3950 1431.1914 3.46_60.0812m/z 60.08123469 3.46 151.2972 137.9640 155.3951 139.9822 156.1271 140.7186 C3H9N Trimethylamine Trimethylamine 18139 MEDIUM 3.46_85.0290m/z 85.02897079 3.46 2851.8087 3057.9629 2933.1704 3005.0430 2960.3920 3129.5440 3.47_135.0333m/z 135.0332883 3.47 485.8346 593.1727 533.6021 559.3010 521.7870 565.4353 3.47_144.1018m/z 144.1017872 3.47 536.2727 541.0516 530.9252 559.3330 550.4366 558.3650 C7H15NO3 L-Carnitine Carnitine 16347 HIGH 3.47_232.2000m/z 232.1999905 3.47 1100.5722 993.0588 1047.2273 1157.3442 1090.5737 1102.8343 3.48_290.1600m/z 290.1599586 3.48 33746.1962 37174.4862 35899.6696 35504.0149 36597.1409 36801.0782 3.48_442.2032m/z 442.2031639 3.48 556.1202 621.9573 583.6042 538.4676 555.4108 568.1997 3.48_756.0043m/z 756.004332 3.48 237.2875 400.0041 278.0408 313.2623 276.6857 239.8680 3.48_756.6706m/z 756.6705812 3.48 37.1907 92.7756 44.0229 42.0586 71.9985 66.0650 3.49_154.0633m/z 154.0633041 3.49 1130.2747 1173.7641 1141.3526 1178.4797 1129.0870 1166.6986 3.49_214.9881n 238.0209615 3.49 1551.8524 1402.6254 1412.9814 1399.7440 1451.6297 1486.4365 3.49_283.1645m/z 283.1644637 3.49 1209.0946 1245.4263 1200.0000 1173.2148 1297.0567 1189.5185 3.49_286.9732n 269.9699384 3.49 2040.4655 1822.5429 1878.2349 1867.0382 1860.1944 1896.5109 3.49_333.0458m/z 333.0457715 3.49 1969.2616 1945.6422 1958.9617 2014.9169 1990.9559 2027.8621 3.49_360.0442n 383.0514625 3.49 4164.9907 3939.0280 4013.8871 3998.0726 3990.7240 4004.4056 3.49_433.0137n 434.1244991 3.49 1419.7826 1493.6624 1371.9222 1430.6321 1396.2682 1417.9419 3.49_457.1084n 458.0798202 3.49 5157.5692 5432.1319 5091.7683 5063.1614 5167.9327 5157.4013 3.49_524.1039m/z 524.1039313 3.49 2814.6612 3064.5873 2902.4185 2911.2497 2922.8973 2937.5434 3.49_595.0223m/z 595.0222875 3.49 1817.3427 1760.2644 1788.1405 1695.0881 1761.1255 1738.6923 3.49_627.1031m/z 627.1030594 3.49 3183.7152 3687.1970 3263.8562 3315.2271 3374.1576 3413.4051 3.51_112.0163n 95.01305997 3.51 5170.6321 5047.6880 4967.1560 5000.2503 5042.6245 5059.1405 3.51_124.0399m/z 124.0399137 3.51 4792.0641 4757.8020 4608.0940 4618.4795 4737.2529 4774.5951 C6H5NO2 Nicotinic acid Nicotinic acid 15940 HIGH 3.51_152.0353m/z 152.0353089 3.51 3013.9573 2540.5867 3147.1997 2836.1209 3100.4213 2927.4356 C7H7NO4 2-Furoylglycine 2-Furoylglycine HMDB00439 HIGH 3.51_160.0375n 183.0741583 3.51 4741.5881 4738.8496 4831.3732 4733.5654 4688.1237 4768.6588 3.51_187.0482n 170.0449025 3.51 4864.5808 4884.4454 4650.7281 4782.3804 4655.1297 4928.4482 3.51_209.0301n 192.0268205 3.51 11018.6251 9422.3843 10078.0991 9984.4154 10119.8725 9980.9482 3.51_213.0240n 214.0100583 3.51 1761.8787 1437.8585 1551.3822 1598.3874 1598.1787 1626.3880 3.51_224.9715m/z 224.9715175 3.51 327.8305 208.8709 285.6668 282.9573 273.3607 285.9447 3.51_224.9949n 207.9916088 3.51 10326.0532 8644.9881 9358.7024 9525.1046 9614.5771 9485.2799 3.51_285.5153m/z 285.5153148 3.51 160.1092 115.3809 131.7286 122.9793 140.6342 144.4728 3.51_289.9972m/z 289.9972459 3.51 338.0732 292.3844 327.1288 290.5337 283.3503 297.2314 3.51_292.5097m/z 292.5097323 3.51 141.2404 99.8870 129.4498 119.1962 114.4049 137.4435 3.51_300.4953m/z 300.4953392 3.51 132.4286 95.8810 106.3928 104.2896 128.7914 119.9005 3.51_370.0958m/z 370.0957839 3.51 4312.1257 4516.0010 4310.8394 4427.1932 4285.3084 4434.4093 3.51_377.0295m/z 377.0294629 3.51 19018.5144 18143.4754 18036.9681 17932.4110 18559.4189 18331.9394 3.51_380.0493n 363.0460575 3.51 6482.3331 6607.6459 6540.1483 6454.2485 6538.0613 6455.4377 3.51_384.5108m/z 384.5107674 3.51 94.6688 77.0859 78.8799 77.6335 72.8108 64.6345 3.51_393.0010m/z 393.0010362 3.51 2397.2768 2215.1366 2359.5962 2279.9962 2397.7346 2244.2290 3.51_399.0118m/z 399.0117796 3.51 1347.9241 1459.4048 1129.8703 1358.5715 1202.4974 1396.1431 3.51_400.9967m/z 400.9967405 3.51 749.1681 738.6560 732.1995 760.2635 760.1782 724.5373 3.51_526.0566m/z 526.0566167 3.51 940.7216 1092.9340 918.8343 965.3912 981.1699 1000.6521 3.51_549.2452m/z 549.2452098 3.51 1835.1441 2115.7503 1868.1851 1901.3932 2002.9409 1979.2196 3.51_549.7472m/z 549.7472363 3.51 643.5961 837.1227 714.6035 713.0536 725.1377 747.8548 3.51_563.0706n 546.0672973 3.51 5982.6808 5983.7951 5905.0200 5783.9655 5937.0556 5806.8477 3.51_567.0420n 590.0399171 3.51 2264.9259 2058.6963 2149.7204 2105.3093 2177.3536 2183.4865 3.51_568.7239m/z 568.7239469 3.51 43.8489 99.0305 77.6603 99.5342 97.6772 93.8539 3.51_583.0066n 584.0138868 3.51 2068.7167 1832.4218 1898.4546 1839.0650 1941.2171 1860.8792 3.51_636.0464m/z 636.0463923 3.51 1057.7786 1096.1412 1018.3835 1026.4589 1031.0525 1012.9144 3.51_652.0919m/z 652.0918846 3.51 1518.4455 1846.5984 1656.4278 1668.3267 1647.3426 1633.4044 3.51_674.0603m/z 674.0602654 3.51 588.7866 691.6040 655.9298 652.1429 619.9812 633.0285 3.51_695.0995m/z 695.0995329 3.51 2067.0867 2262.6393 2093.4246 2233.5106 2160.2638 2129.9309 3.51_759.0383m/z 759.0382517 3.51 158.3574 145.6777 181.3843 154.0090 161.7303 199.8116 3.51_775.0406m/z 775.0406056 3.51 360.5341 323.3575 307.0870 315.1300 315.2158 281.7666 3.51_845.2230m/z 845.2230213 3.51 159.3256 245.4163 152.2769 152.3353 177.2170 179.5853 3.52_113.9854m/z 113.985368 3.52 101.0383 58.2165 97.3821 89.0972 101.1968 95.6110 3.52_134.0974m/z 134.097356 3.52 137.1308 132.0155 141.3337 129.3469 139.6127 142.2401 C9H13NO Phenylpropanolamine Phenylpropanolamine HMDB01942 MEDIUM 3.52_572.7416m/z 572.741604 3.52 129.3393 200.7789 159.0322 171.5263 192.4787 174.5467 3.52_573.4945m/z 573.4944749 3.52 51.5702 71.2367 57.1439 53.2031 42.3606 65.1396 3.52_750.6708m/z 750.6707619 3.52 985.6908 1465.6159 1240.1251 1251.3858 1314.6403 1193.9289 3.52_751.0052m/z 751.0051798 3.52 1193.2881 1559.4184 1401.6094 1426.0241 1459.7239 1380.3171 3.52_751.3386m/z 751.3386136 3.52 583.5356 770.7383 663.3967 682.7009 726.6730 693.0582 3.53_119.0728m/z 119.072753 3.53 326.2093 376.5887 298.6146 350.6485 308.5519 350.6875 3.53_163.0869m/z 163.0869246 3.53 1929.2575 2120.0867 1964.7145 2148.9889 2025.9244 2191.4121 3.53_182.1173m/z 182.1172824 3.53 922.2987 1111.6768 941.4715 1000.6836 955.4061 1020.3084 3.53_200.1237m/z 200.1237395 3.53 3171.9827 3430.5482 3179.7435 3407.2386 3216.3484 3395.3706 C6H10N6O Dacarbazine Dacarbazine 4305 HIGH 3.53_211.1073m/z 211.1073173 3.53 4488.5825 4407.2816 4607.6143 4888.4766 4644.4040 4727.9625 3.53_288.1434m/z 288.1433679 3.53 2535.4705 2888.8293 2684.8587 2897.1294 2762.5485 2885.0994 C18H24O4 Butyl cyclohexyl phthalate 36605 MEDIUM 3.53_375.2206m/z 375.2206166 3.53 1796.4714 2204.9333 1829.6456 2023.9819 1845.3465 2034.0602 3.53_411.0858m/z 411.0857656 3.53 4761.6941 5411.2711 5085.2795 5326.5780 5169.7606 5342.6932 3.53_447.6454m/z 447.6454219 3.53 83.8341 118.0804 73.7513 90.7361 98.1587 114.0784 3.53_877.3140m/z 877.3139573 3.53 423.4218 622.7121 515.7998 542.6280 518.0882 539.1798 3.54_127.0396m/z 127.0395759 3.54 4971.9244 5578.8143 5304.5718 5433.9062 5370.6913 5521.6826 C6H8O4 3-Methylglutaconic acid 37245 MEDIUM 3.54_139.0039m/z 139.0039204 3.54 1828.2852 1774.4171 1870.8163 1857.8033 1797.1656 1799.7293 C6H4O5 "2,5-Furandicarboxylic acid" HMDB04812 MEDIUM 3.54_149.0458m/z 149.0457971 3.54 2229.9879 2422.3173 2122.0666 2411.6358 2145.0679 2342.6569 3.54_164.9862m/z 164.9862457 3.54 571.9451 450.4115 547.1791 533.9734 558.0002 563.9000 3.54_168.0296m/z 168.0295513 3.54 3468.8650 3567.2255 3715.7201 3578.4191 3635.4299 3604.9165 3.54_169.0974m/z 169.0974443 3.54 5270.5048 5352.2354 5786.7338 5896.2581 5682.1900 5933.7651 C8H9NO2 Acetaminophen Acetaminophen 2386 MEDIUM 3.54_217.0047m/z 217.0046923 3.54 437.2987 420.5380 388.0916 429.4409 385.0628 418.3510 3.54_251.9807m/z 251.9807448 3.54 419.3851 339.8902 413.1682 390.3346 375.0886 393.0990 3.54_253.0532m/z 253.0532279 3.54 2097.3363 2116.7430 2160.9631 2173.8007 2217.1621 2262.9007 3.54_281.0003m/z 281.0003451 3.54 573.7705 505.7472 513.7760 580.2911 519.0837 539.6361 3.54_298.1136m/z 298.1135635 3.54 5750.0422 6125.7372 5768.4761 5968.7951 5796.3728 6032.6554 3.54_302.0628n 325.052827 3.54 14009.7707 15784.8787 14595.1135 15074.8688 14827.9668 15232.5780 3.54_406.1121m/z 406.1121484 3.54 2666.0359 2751.2399 2628.0177 2622.9129 2692.6176 2649.5358 3.54_432.1582m/z 432.1582438 3.54 1271.2148 1465.1597 1334.7097 1354.8074 1335.6123 1383.4646 3.54_70.0656m/z 70.06555259 3.54 211.6992 221.0697 225.0663 249.0695 211.5403 240.6858 C4H7N Butyronitrile 51937 MEDIUM 3.54_754.5898m/z 754.5898049 3.54 72.3017 148.0544 102.4175 101.8822 156.7113 161.2270 3.54_821.2892m/z 821.2891953 3.54 114.1663 205.0426 126.6954 129.5478 152.1432 134.5694 3.54_821.7908m/z 821.7907701 3.54 22.7394 111.8813 55.4933 89.1384 54.7682 80.5691 3.56_332.1661m/z 332.1661341 3.56 766.2260 869.9590 814.7162 858.0087 854.1955 849.7104 3.56_400.1586m/z 400.1585591 3.56 3335.0783 3978.1702 3629.6470 3665.8380 3683.8581 3769.2674 3.56_547.8624m/z 547.8624118 3.56 132.6060 169.4888 172.4009 140.0560 193.9739 147.0962 3.56_548.5296m/z 548.5295843 3.56 81.3664 97.6144 71.8430 95.5424 94.5865 79.6212 3.57_107.0526m/z 107.0525918 3.57 260.3118 264.8344 256.4361 252.3349 258.6123 255.7433 3.57_137.0592m/z 137.0592376 3.57 2715.7462 2892.8872 2815.7791 2722.3383 2833.7323 2738.9172 C8H8O2 Phenylacetic acid Phenylacetic acid 30745 MEDIUM 3.57_196.1441m/z 196.1440697 3.57 976.2967 1201.9360 1051.7796 1095.8347 1072.4986 1139.0054 3.57_245.0323m/z 245.0323481 3.57 334.9868 339.6597 327.5520 393.1082 388.8106 374.3853 3.57_353.0843m/z 353.084346 3.57 7363.6614 7979.6255 7692.7476 7846.5203 7790.0708 7934.0859 3.57_372.1753m/z 372.1753443 3.57 4189.0892 4998.8098 4499.1624 4566.8932 4510.3810 4625.6348 3.57_438.1849m/z 438.1848741 3.57 1749.1000 2052.2786 1670.0228 1853.5782 1733.6008 1837.1080 C22H26F3N3OS Fluphenazine 5123 MEDIUM 3.58_111.0727n 129.0375403 3.58 386.5633 406.3904 360.4946 348.7858 336.4617 350.7031 3.58_117.0594m/z 117.0593905 3.58 57.1552 117.8061 56.3318 100.2320 59.0266 80.4374 3.58_162.0220m/z 162.0220461 3.58 93.1071 80.7459 103.1857 93.6837 101.7196 75.3164 3.58_385.0304m/z 385.0304074 3.58 394.8767 323.0563 431.6931 402.6297 460.4013 387.2417 3.58_610.2804m/z 610.2804365 3.58 609.7924 776.6896 639.8472 656.3171 746.4449 662.9240 3.59_141.0470m/z 141.0470103 3.59 512.6648 496.2210 491.0352 522.9023 509.2957 506.3608 3.59_147.0511m/z 147.0511462 3.59 530.1863 589.9243 558.9729 544.8877 573.6076 562.3949 3.59_241.0700m/z 241.070048 3.59 2598.6389 2461.9175 2553.2946 2531.3782 2567.5896 2555.3801 3.59_310.1278m/z 310.127849 3.59 5233.9092 5824.8266 5178.7336 5572.4824 5463.2025 5355.4464 3.59_426.1269m/z 426.1268718 3.59 3398.0562 3541.0972 3437.7130 3458.8168 3381.3354 3460.3951 3.60_267.0779m/z 267.0779194 3.60 9643.1133 8797.5432 9230.3649 9316.6413 9350.8655 9435.9140 3.60_317.2039m/z 317.2038923 3.60 1160.6936 1342.7697 1236.6341 1257.6452 1249.1868 1251.1867 3.60_324.6171m/z 324.6171441 3.60 217.9443 203.3888 214.6442 209.2028 194.9519 230.3793 3.61_100.9918m/z 100.9918193 3.61 175.6542 123.7165 145.1537 157.3206 156.4480 153.4420 3.61_213.0052m/z 213.0052379 3.61 128.8374 80.3762 69.9479 86.5220 101.4858 94.0582 3.61_213.0856m/z 213.0856127 3.61 1323.6197 1373.9001 1401.9770 1396.9729 1374.6069 1379.2660 3.61_217.5515m/z 217.5515297 3.61 176.2911 144.7201 171.3794 156.2218 154.3248 158.1049 3.61_393.1322m/z 393.1321564 3.61 628.8687 647.1014 622.2565 631.2272 621.1372 619.9306 3.62_194.1044m/z 194.1043597 3.62 21354.3822 22636.4998 22391.7816 22515.6486 22308.0995 22244.4817 3.62_208.5466m/z 208.5466194 3.62 28.7432 41.6531 44.7205 38.3694 36.8582 34.5655 3.62_274.1643m/z 274.1643183 3.62 4776.2306 5461.6389 5047.9430 5174.2623 5113.3032 5192.1866 3.62_326.1461m/z 326.146062 3.62 13763.8180 14863.0770 14384.7483 14691.7833 14485.2041 14564.3491 3.63_184.0719n 207.0708942 3.63 5778.6232 5480.7755 5575.6429 5763.7920 5607.4323 5481.4832 C9H12O4 Vanylglycol Vanylglycol HMDB01490 HIGH 3.63_220.0599m/z 220.0599422 3.63 339.5583 390.7117 375.1072 388.1443 333.8571 385.1288 3.63_302.1595m/z 302.1594652 3.63 22910.6269 27766.5278 25390.8930 26225.0954 25549.5622 26336.1232 3.63_311.0741m/z 311.0740744 3.63 8499.4575 8839.8802 9049.2204 8879.7975 9058.0734 8717.7181 3.63_320.1794m/z 320.1794196 3.63 584.0629 619.4901 637.4383 588.5814 601.2978 583.1777 3.63_340.1025m/z 340.1024619 3.63 10931.5381 11623.0419 11516.5433 11473.7387 11539.4955 11469.3668 3.64_154.0503m/z 154.0503447 3.64 6186.9904 6515.3923 6168.7762 6310.8395 6178.1288 6232.7021 C7H7NO3 3-Hydroxyanthranilic acid 3-Hydroxyanthranilic acid HMDB01476 MEDIUM 3.64_278.0727m/z 278.0726771 3.64 2389.3800 2470.1469 2371.8368 2432.2709 2341.2709 2399.4724 3.64_333.1113m/z 333.1112715 3.64 1566.4147 1737.3135 1583.6195 1653.5867 1550.9664 1632.5422 3.64_413.1237m/z 413.1237311 3.64 28525.3844 33026.4225 30378.1318 30911.2900 30475.7277 30903.4883 C15H17N5O6S Tribenuron-methyl 9678 HIGH 3.65_257.1583m/z 257.158309 3.65 511.2357 590.3449 590.0306 566.0807 608.4441 600.2333 3.65_455.1396m/z 455.1396108 3.65 1816.4136 2026.9403 1785.8650 1917.2973 1807.1650 1877.9277 3.66_126.0918m/z 126.0918398 3.66 507.6239 586.4098 554.9939 572.8579 582.4406 550.9792 C7H8O p-Cresol P-Cresol 17847 MEDIUM 3.66_230.1259n 253.1159519 3.66 9440.5658 10125.3507 9795.4896 10150.6580 10164.8539 9928.4365 3.66_238.5575m/z 238.5574598 3.66 51.7577 46.2747 50.8569 54.4028 27.4969 62.9328 3.66_266.5666n 289.5428833 3.66 87.5792 97.0506 79.0349 78.7095 81.4155 51.3211 3.66_491.8382m/z 491.8382278 3.66 86.9685 82.6938 60.1246 65.3857 81.1711 87.6180 3.66_718.2799m/z 718.2799426 3.66 269.2203 371.0870 273.7960 313.3784 321.7494 299.4651 3.66_718.7826m/z 718.7825526 3.66 127.7914 141.5914 141.4511 131.4939 129.5276 134.2824 3.66_729.2692m/z 729.2691869 3.66 196.8264 280.2967 210.4036 226.6597 226.0473 247.2490 3.66_737.2508m/z 737.2507981 3.66 225.6044 290.2890 243.0586 233.4686 293.5813 253.3816 3.67_100.0761m/z 100.0761159 3.67 892.7512 936.4184 885.9985 918.6976 911.4767 885.0939 3.67_102.0560m/z 102.0560459 3.67 16.2074 37.9074 27.5111 24.4578 31.7016 21.4289 C4H9NO3 L-Threonine Threonine 16857 MEDIUM 3.67_124.0525n 147.0762977 3.67 2022.9036 2097.2929 2058.8223 2079.4589 2105.3952 2101.0495 3.67_182.0792m/z 182.079215 3.67 15639.7068 13964.4080 15173.2562 15389.7342 15277.2489 15246.4394 C9H14N2O3 Carboxazole MEDIUM 3.67_185.0227m/z 185.0226837 3.67 635.5630 582.7996 668.0409 584.4976 674.8562 609.8126 3.67_239.5808m/z 239.5808289 3.67 131.8588 120.1865 125.5622 118.0708 123.5348 122.4920 3.67_266.5439m/z 266.5438896 3.67 44.2884 29.1383 21.5092 20.7410 25.0531 26.3647 3.67_280.1044n 303.0949021 3.67 24039.3000 24833.2671 24899.9145 24955.0648 25845.9893 25378.5162 C13H16N2O5 Aspartyl-Phenylalanine Asp-Phe HMDB28760 HIGH 3.67_291.5704m/z 291.5704469 3.67 44.6345 52.9540 58.1002 41.1213 46.2777 38.3115 3.67_300.0878m/z 300.0878205 3.67 1977.6318 2101.6142 1900.2946 2016.1598 1987.8719 2012.9955 3.67_300.5873m/z 300.587319 3.67 187.1735 205.4120 182.0030 182.3874 191.9102 164.2753 3.67_319.0621m/z 319.0620756 3.67 1672.5538 1672.7415 1651.5048 1716.7459 1686.8119 1696.0268 3.67_319.5600m/z 319.5600222 3.67 28.7832 31.4394 23.3647 46.6870 49.7896 37.1736 3.67_583.1993m/z 583.1993228 3.67 1028.2654 1044.1483 1082.2001 1087.7065 1146.0663 1075.2652 3.67_599.1462m/z 599.1461849 3.67 1739.2954 2031.6219 1824.5452 1881.4910 1917.4376 1881.7594 3.67_649.7947m/z 649.7946752 3.67 151.3134 187.0182 173.7591 175.4452 182.1405 180.0850 3.67_803.6091m/z 803.6090746 3.67 34.0844 122.6704 57.6595 88.1072 115.8543 112.6085 3.68_169.5394m/z 169.539409 3.68 5.0972 9.9021 8.4767 20.2324 10.2027 12.7284 3.68_463.1010m/z 463.1010335 3.68 1234.1431 1277.8149 1244.4166 1297.8329 1305.1608 1264.5887 3.69_308.5157m/z 308.5156815 3.69 133.6517 131.4748 109.0491 133.9494 125.6405 125.6426 3.69_334.1841m/z 334.184061 3.69 3291.1031 3784.7860 3639.5984 3576.6363 3749.2789 3661.3547 3.70_137.0472m/z 137.047238 3.70 6956.6655 7373.5671 7204.4007 7261.2260 7454.3941 7241.8689 3.70_164.1071m/z 164.107068 3.70 284.8411 319.9644 267.2335 317.1799 300.5394 292.0267 3.70_268.9450m/z 268.945014 3.70 295.3711 235.2111 274.7311 266.2688 317.7710 279.5200 3.70_283.9441m/z 283.9440912 3.70 215.7866 202.1371 248.8064 230.8651 256.6483 240.1285 3.70_296.9641n 297.9713411 3.70 1444.4768 1492.7432 1389.8540 1437.0614 1365.6856 1446.1061 3.70_312.9710m/z 312.9710069 3.70 689.8416 648.1205 653.8799 688.7496 645.8880 698.5595 3.71_513.0539m/z 513.053947 3.71 600.1112 668.1562 553.7795 643.9756 616.0406 653.0866 3.72_112.0505m/z 112.0505159 3.72 1105.6707 1225.1062 1110.1406 1149.1374 1170.4812 1157.9652 C4H7N3O2 2-(Nitromethylene)imidazolidine MEDIUM 3.72_119.0735n 142.036192 3.72 2182.8034 2111.6131 2216.9726 2180.3092 2200.8033 2132.4289 3.72_226.0952n 249.0843463 3.72 34030.3247 34989.6629 33989.1546 34537.8341 35021.1455 34787.0598 C10H14N2O4 Porphobilinogen Porphobilinogen HMDB00245 HIGH 3.72_285.5673m/z 285.5672944 3.72 33.3095 35.1495 29.4489 21.6871 31.0053 37.4898 3.72_286.0851m/z 286.0850584 3.72 7221.8777 7357.2284 7145.7766 7244.8616 7271.0850 7380.5225 3.72_308.0840m/z 308.0839673 3.72 2766.0321 2629.0341 2608.8743 2727.6083 2674.1793 2668.9349 3.72_310.5687n 311.5760158 3.72 63.9522 67.5488 73.8093 62.3991 56.2454 38.3973 3.72_355.1208m/z 355.1208281 3.72 1990.1960 2186.7376 1997.9224 2062.2587 2019.2355 2093.4611 3.72_360.1243m/z 360.1242933 3.72 3393.0391 3610.4189 3418.0249 3446.7143 3428.3424 3466.7408 3.72_419.2481m/z 419.2481037 3.72 1918.4745 2421.3236 2092.3093 2042.3109 2217.5400 2050.5706 3.72_452.1887n 475.1790868 3.72 5685.0200 6746.0818 5989.3560 6010.3750 6316.8688 6157.8932 3.72_513.0932m/z 513.0931726 3.72 1372.9870 1341.5208 1414.6245 1334.1630 1456.1616 1308.4715 3.72_599.2748m/z 599.2748002 3.72 178.5279 283.0851 196.5534 202.7883 212.3104 220.0739 3.72_645.1134m/z 645.113419 3.72 957.9728 1007.2422 972.0291 953.3979 1030.1833 963.2938 3.72_70.0655m/z 70.06545865 3.72 208.2374 214.6289 203.8597 204.0807 204.1611 210.5480 C4H7N Butyronitrile 51937 MEDIUM 3.72_84.0448m/z 84.04482997 3.72 276.9374 287.1382 297.6425 289.6605 298.9755 293.4442 3.73_135.5827m/z 135.5826619 3.73 78.5126 85.0239 70.4977 70.3232 83.7416 85.1381 3.73_172.6121n 156.5879763 3.73 88.8303 102.2798 85.8627 84.8713 97.9576 100.0536 3.73_225.5670m/z 225.5670323 3.73 115.9620 110.3849 110.7491 127.7965 116.0188 123.9885 3.73_284.0224m/z 284.0224205 3.73 411.4859 493.3491 476.6695 473.4133 491.6473 485.4071 3.73_298.5955m/z 298.5954624 3.73 211.1954 199.7568 194.8551 207.8563 235.2448 195.6099 3.73_305.5658m/z 305.5657929 3.73 40.5973 47.9283 47.1031 49.6207 47.9157 52.0263 3.73_328.2212m/z 328.2212017 3.73 1089.6972 1093.0404 1111.5008 1002.3633 1050.2823 1101.7530 3.73_357.1033m/z 357.1032595 3.73 7242.5711 8123.7985 7621.7330 7729.0914 7820.2233 7762.1086 3.73_367.0635m/z 367.0635126 3.73 6761.2603 6900.6816 6774.6457 6896.0042 6919.6415 6863.1852 3.73_386.1843m/z 386.1842504 3.73 733.4412 815.7979 702.7799 773.4162 759.7505 757.5231 C23H30O6 Citreoviridin A MEDIUM 3.73_501.1060m/z 501.1059773 3.73 1478.8298 1462.3259 1460.2927 1442.7123 1469.1632 1466.9406 3.73_593.1523m/z 593.1522987 3.73 698.7009 757.4608 681.3990 686.3997 656.3370 682.2886 3.73_739.1226m/z 739.1226103 3.73 789.4388 927.3996 812.5382 872.3192 866.0761 831.6617 3.74_235.0806m/z 235.0805965 3.74 7082.1535 6592.3432 6499.4584 6810.3924 6712.2644 6828.1869 3.74_316.2215m/z 316.2215361 3.74 1331.4105 1368.7644 1355.9768 1288.1165 1427.9499 1359.3950 3.74_429.0365m/z 429.0364615 3.74 1953.0703 2326.1384 1501.1645 1800.4180 1568.7966 1803.2068 3.74_447.6449m/z 447.6449312 3.74 142.4786 154.6586 166.0270 152.4248 149.9365 151.5897 3.74_711.1254m/z 711.1253975 3.74 1105.8781 1412.1836 1225.8733 1190.2328 1226.1662 1227.5154 3.74_854.3253n 855.3325571 3.74 734.0852 1118.1675 868.1205 885.6345 877.8508 839.3229 3.75_134.0966m/z 134.096627 3.75 1019.8965 994.8264 985.8670 1023.9653 986.2692 1016.9819 C9H11N 2-Methylindoline 2-Methylindoline HIGH 3.75_161.0592m/z 161.0592302 3.75 1083.5128 1017.5354 1061.7027 1079.5067 1062.9406 1058.4395 3.75_175.0309n 158.027618 3.75 16063.7798 15979.7390 15947.0514 16126.4113 15935.2359 16257.9112 3.75_277.0789m/z 277.0789193 3.75 6899.4958 6282.3914 6532.5248 6582.3948 6680.9969 6807.9802 C11H11F3N2O3 Flutamide 5132 MEDIUM 3.75_398.1473m/z 398.1473201 3.75 2163.0346 2168.4960 2082.3029 2171.3128 2158.9469 2174.6884 C19H22FN3O4 Gatifloxacin Gatifloxacin 5280 MEDIUM 3.75_412.1639m/z 412.163875 3.75 1599.0667 1636.1999 1672.6937 1592.0271 1697.5974 1593.2499 3.76_171.0633m/z 171.0633397 3.76 6179.2812 5488.5231 5969.8279 5892.7258 5950.5992 6140.4994 3.76_327.0688m/z 327.0687583 3.76 2737.2662 2700.7413 2707.2995 2759.3867 2683.4066 2859.9689 3.76_539.5464m/z 539.5464472 3.76 70.5279 77.7270 73.3432 70.2560 84.1452 74.6255 3.76_578.0856m/z 578.0856236 3.76 1664.6819 1683.8725 1546.7792 1593.3257 1534.5933 1621.9413 3.76_590.1052m/z 590.105162 3.76 1230.9087 1400.6884 1259.6344 1274.1747 1263.7287 1305.9813 3.76_717.0975m/z 717.0975162 3.76 177.8965 208.3103 191.8489 178.9100 180.4954 201.4480 3.76_726.1239m/z 726.1238712 3.76 1899.6142 2254.5295 1792.2824 1823.8925 1893.4852 1877.3773 3.76_773.1362m/z 773.1361958 3.76 671.7296 697.9485 597.5384 616.9012 622.3706 646.4769 3.78_218.0427m/z 218.0426892 3.78 5635.8552 5009.5730 5315.9346 5314.0909 5280.7958 5386.8151 C9H9NO4 Alpha-Hydroxyhippuric acid HMDB02404 MEDIUM 3.78_222.9923m/z 222.9922861 3.78 165.0150 152.0940 139.9920 136.1226 152.3197 138.4791 3.78_251.0106n 234.0073121 3.78 6167.1671 5382.2573 5891.3803 5903.0460 5798.4836 5870.6975 3.78_261.1419m/z 261.1418869 3.78 522.9823 577.3591 501.6082 499.4771 471.4400 539.2746 3.78_295.9851m/z 295.9851405 3.78 575.2804 415.8927 510.3603 475.6736 485.0327 527.1806 3.78_301.1318m/z 301.1318153 3.78 2151.2277 1763.0401 2151.0528 2200.6441 2119.4086 2097.4056 3.78_376.1927m/z 376.1927109 3.78 810.0331 795.6464 840.1131 840.1458 865.8743 849.9889 C24H25NO3 Cyphenothrin Cyphenothrin 31450 MEDIUM 3.78_382.0812m/z 382.0812484 3.78 5266.1648 4635.1734 4985.7005 4959.3581 5127.4593 4970.1869 3.78_415.0724m/z 415.072381 3.78 1619.0494 1539.7973 1595.1897 1573.7427 1612.7868 1587.6825 3.78_426.1383m/z 426.1383231 3.78 1617.8094 1694.8196 1529.1320 1671.0735 1584.7340 1645.2797 3.78_429.0606m/z 429.0606016 3.78 5984.0597 5010.5028 6265.9945 5931.3437 6140.5813 5933.5010 3.78_445.0370m/z 445.0370294 3.78 1261.8425 1225.8538 1311.8816 1213.3083 1269.0613 1269.1932 3.78_624.1095m/z 624.1094588 3.78 3680.5414 3588.4673 3511.9261 3363.9642 3585.8782 3579.0352 3.78_626.0997m/z 626.099734 3.78 1586.0433 1830.7704 1683.1901 1646.9808 1748.3734 1752.5319 3.78_639.0866m/z 639.0865906 3.78 2451.3318 2720.7731 2450.6265 2513.5284 2462.7170 2572.2637 3.78_649.0632m/z 649.063174 3.78 421.5015 382.5097 458.6680 430.1833 433.6785 371.2377 3.78_662.0893m/z 662.0892513 3.78 3454.0376 3952.4476 3492.0111 3525.4616 3651.3508 3569.0203 3.78_789.3409m/z 789.3408808 3.78 1037.6360 1297.1188 1145.4330 1174.5299 1233.9178 1234.6670 3.78_789.8431m/z 789.843059 3.78 607.6959 775.6712 720.7957 683.3192 709.5739 744.0777 3.79_114.0916m/z 114.0916446 3.79 151.2162 143.1985 157.4691 143.8648 147.2872 151.8207 C6H13NO2 L-Norleucine L-Norleucine HMDB01645 MEDIUM 3.79_121.0288m/z 121.0287607 3.79 15522.8755 16088.6814 15901.8351 16113.3734 16016.1015 16301.3688 C7H6O3 4-Hydroxybenzoic acid 4-Hydroxybenzoic acid HMDB00500 HIGH 3.79_125.0676m/z 125.0675781 3.79 1400.3701 1379.9084 1354.2059 1397.9344 1359.0421 1400.5654 3.79_190.0175m/z 190.0175094 3.79 514.3761 390.7371 461.7852 470.8233 475.0680 487.0306 3.79_268.1619m/z 268.1618791 3.79 618.6918 548.6579 658.1448 603.1886 612.4095 645.0992 3.79_361.0260m/z 361.0260009 3.79 2474.9334 2145.2136 2248.6163 2374.4282 2214.4536 2263.2964 3.79_509.0989m/z 509.0988538 3.79 4556.4002 5067.9523 4540.9139 4888.8897 4579.4311 4632.1577 3.79_533.2375m/z 533.2375496 3.79 2454.4639 2775.9513 2597.2046 2642.4909 2746.8106 2690.9442 3.79_556.0847m/z 556.0847451 3.79 4091.3346 4573.0982 3836.1625 4138.4757 3955.7276 4140.2045 3.79_619.0378m/z 619.0377962 3.79 208.1785 237.1841 278.9194 257.0032 264.9944 238.5175 3.79_619.0900n 603.0673766 3.79 9168.5512 10662.2500 9979.8674 9966.4338 9794.5756 9895.7951 3.79_65.0392m/z 65.03923524 3.79 226.8310 228.5135 233.3479 247.0188 252.7445 244.6457 3.79_732.0988m/z 732.0988488 3.79 1022.6772 1402.3011 1135.2825 1164.5682 1121.3289 1070.4882 3.79_752.0719m/z 752.0719062 3.79 616.2298 664.5677 622.7629 606.6137 589.2648 616.8092 3.79_798.1119m/z 798.1118767 3.79 231.1364 330.7021 269.2766 283.6244 277.1718 269.2674 3.79_804.0445m/z 804.0444539 3.79 420.5433 356.1924 441.7438 396.3639 445.5502 419.1401 3.79_836.0505m/z 836.050517 3.79 364.8743 464.5798 376.9548 434.0543 407.7365 479.4019 3.79_86.0969m/z 86.096861 3.79 162.9255 174.0084 170.8994 177.1018 173.7749 167.7222 3.79_93.0343m/z 93.03430753 3.79 1643.9829 1690.1927 1678.1619 1739.3074 1687.8417 1732.8224 C6H6O2 Hydroquinone Hydroquinone 17594 MEDIUM 3.79_95.0498m/z 95.04981516 3.79 301.8536 341.9575 278.6038 324.5531 325.3278 310.4822 3.79_963.0524m/z 963.0523709 3.79 301.0018 305.0089 287.8886 324.4761 276.8203 311.8075 3.80_425.0133n 408.010056 3.80 3200.6249 3106.0172 3214.7365 3204.4710 3191.3092 3247.6500 3.80_766.0802m/z 766.0801512 3.80 713.7679 815.6500 687.5545 734.1093 786.3789 677.1625 3.80_799.0545m/z 799.0544634 3.80 1026.1061 1240.1101 1105.9147 1093.4513 1120.9498 1063.0481 3.80_807.0569m/z 807.0569079 3.80 290.6908 273.3249 256.9887 371.7809 234.7521 241.1233 3.80_942.0229m/z 942.0229452 3.80 137.6752 151.8833 142.8904 126.2629 77.8605 119.9393 3.80_989.0104m/z 989.0103866 3.80 197.8547 154.9604 191.6368 165.2264 205.9772 223.0051 3.80_994.0574n 995.022527 3.80 575.1540 621.7900 524.8288 514.9602 566.9115 522.0163 3.81_110.0607m/z 110.0606708 3.81 3717.6493 3619.1824 3718.8168 3673.1168 3780.4327 3918.8079 C6H7NO 4-Aminophenol 4-Aminophenol 17602 HIGH 3.81_112.0754m/z 112.075448 3.81 263.9245 265.7088 257.6245 262.9695 268.6368 261.7877 C6H11NO2 Vigabatrin Vigabatrin 63638 MEDIUM 3.81_152.0714m/z 152.0713535 3.81 19032.1296 18844.4278 19086.7873 18918.6275 19123.9443 19768.3729 C8H11NO3 Pyridoxine Pyridoxine 16709 MEDIUM 3.81_158.0815m/z 158.0814818 3.81 197.1312 204.8459 161.6273 207.2917 182.1061 203.7939 C7H11NO3 Paramethadione Paramethadione 250989 MEDIUM 3.81_170.0272m/z 170.0272406 3.81 107.5918 115.1187 118.4837 101.6933 112.1845 114.0199 3.81_235.9734n 218.9700993 3.81 1269.8751 1012.2472 1147.6126 1181.4804 1120.8033 1154.5019 C6H9CoO6 Cobalt(III) acetate MEDIUM 3.81_456.7235m/z 456.7235114 3.81 241.6739 350.4944 304.7477 320.0186 303.8968 339.7454 3.82_148.9913m/z 148.9912981 3.82 590.0467 448.9500 543.8968 529.7532 537.6542 521.0587 3.82_212.9528m/z 212.9528234 3.82 3428.5661 2541.1493 2908.8984 3030.6563 2971.4458 3059.0558 3.82_260.9507m/z 260.9506774 3.82 119.4161 103.3373 81.0575 98.3175 86.8437 99.1660 3.82_371.6417m/z 371.6416925 3.82 75.9038 80.0150 90.2741 86.7114 79.4258 67.9425 3.82_492.1813m/z 492.1812931 3.82 615.1332 756.4010 655.0802 664.9199 650.2841 670.7440 3.82_751.6253n 774.6471602 3.82 104.4752 169.7242 169.3497 135.9224 150.5706 149.1322 3.82_761.6654m/z 761.665438 3.82 181.7053 272.6384 206.8736 233.8872 213.8530 247.8035 3.82_762.0012m/z 762.0011969 3.82 423.5526 448.7192 408.4499 351.5464 414.7505 395.1494 3.82_769.0231m/z 769.0230579 3.82 342.4416 409.2604 297.3275 364.9729 340.6901 354.2919 3.82_92.0498m/z 92.04977661 3.82 529.8044 547.7323 556.2894 555.7320 555.2697 530.9245 C6H7NO 4-Aminophenol 4-Aminophenol 17602 MEDIUM 3.83_195.0757m/z 195.0757053 3.83 2726.6456 2677.8307 2910.7408 2708.0350 2867.6821 2774.3434 3.83_244.9750m/z 244.9750002 3.83 448.3957 339.5052 415.1878 394.8230 414.7365 398.5176 3.84_180.1019m/z 180.101858 3.84 213.1674 246.8127 264.6380 235.1570 255.6656 251.4432 3.84_224.0951m/z 224.0950675 3.84 4723.6689 4783.6898 4726.3805 4859.0314 4838.5398 4857.3208 3.84_285.1433m/z 285.1433407 3.84 1110.6455 1225.7608 1060.3352 1195.4695 1127.0978 1043.8971 C17H20N2S Promethazine 8461 MEDIUM 3.84_315.2930m/z 315.2929965 3.84 1450.7966 1879.0596 1571.5888 1681.5883 1648.0779 1489.1603 3.84_331.0158m/z 331.0158439 3.84 1187.9025 1064.8182 1096.3296 1104.8482 1113.4169 1098.9165 3.84_488.1478m/z 488.1477989 3.84 1795.0196 2029.4831 1862.7796 1908.8154 1896.7864 1897.3549 3.84_570.0595m/z 570.0595443 3.84 2236.1059 2293.6545 2425.4083 2398.2239 2367.4663 2324.2557 3.85_102.0375m/z 102.0374956 3.85 156.5095 154.1409 186.0095 160.5541 175.0419 171.9926 3.85_108.0448m/z 108.0447562 3.85 959.7645 1038.5161 960.2253 998.9581 1026.9440 1014.8398 3.85_139.1233m/z 139.1233191 3.85 96.4938 97.5366 112.0414 100.8889 103.4306 108.5616 C8H11N "2,6-Dimethylaniline" 28738 MEDIUM 3.85_140.0697m/z 140.0697258 3.85 855.1811 884.1348 847.9463 873.4115 835.6801 865.3109 C7H11NO3 Paramethadione Paramethadione 250989 MEDIUM 3.85_164.1059m/z 164.1058799 3.85 880.5911 1002.7218 857.7957 946.1315 842.8283 911.6756 3.85_177.1022m/z 177.1022332 3.85 332.5285 370.1012 270.0649 343.7517 322.0291 353.4581 C10H12N2O Cotinine Cotinine HMDB01046 486-56-6 HIGH 3.85_181.0742n 182.0815182 3.85 11360.6383 12340.9525 11645.1756 11898.0434 11763.7750 11925.1475 C9H11NO3 o-Tyrosine HMDB06050 HIGH 3.85_192.0519m/z 192.0519384 3.85 1019.1527 1067.5773 937.4851 1069.9923 978.4487 1032.7688 3.85_262.0380m/z 262.0380323 3.85 1129.9684 1183.2216 1079.7654 1137.0515 1154.5617 1144.5894 3.85_299.9847m/z 299.9847258 3.85 1143.6729 1099.9964 1113.5374 1091.0233 1109.4607 1112.7930 3.85_315.1488m/z 315.1488373 3.85 106232.5183 115296.4251 112517.9949 115931.5183 116186.7704 116345.6515 3.85_380.0950m/z 380.0950277 3.85 8223.4512 9109.6207 8580.4762 8825.0290 8696.9741 8710.7518 3.85_574.7060n 597.7057036 3.85 127.7798 181.1149 170.3027 180.5936 185.9371 183.6688 3.85_578.2288m/z 578.2288091 3.85 404.1092 577.9901 474.0410 454.0015 480.3334 465.9451 3.85_578.7313m/z 578.7312713 3.85 125.3620 149.9886 136.4201 151.9328 168.8545 128.6447 3.85_657.0933m/z 657.0933433 3.85 823.1407 960.8465 884.5463 876.8127 916.2570 876.7531 3.85_683.6493m/z 683.6492686 3.85 171.7286 231.1871 215.2844 228.6366 209.2598 238.6144 3.85_715.2295m/z 715.2295243 3.85 468.9184 737.1250 618.1330 551.5454 612.6997 626.9825 3.85_83.0500m/z 83.04997865 3.85 95.3334 82.8485 84.2473 81.3077 99.4663 89.9895 3.86_213.0076m/z 213.0076044 3.86 227.0349 174.9939 222.2764 190.1576 208.6294 204.9221 3.86_222.0075m/z 222.007506 3.86 148.7028 153.2020 145.8812 143.7385 119.6714 128.9287 3.86_360.1248m/z 360.1248498 3.86 1291.0694 1465.9466 1350.9539 1421.5740 1329.0706 1371.0849 3.86_462.0549m/z 462.0549219 3.86 1372.0708 1607.1776 1290.4494 1393.6404 1328.2033 1454.1081 3.86_513.4909m/z 513.4909084 3.86 127.1497 145.7526 79.0492 138.4531 120.5262 171.0822 3.86_666.0937m/z 666.0936791 3.86 1807.5716 1912.7624 1765.4288 1743.1325 1787.0919 1761.8281 3.86_684.3165m/z 684.316452 3.86 61.5125 111.3892 86.6320 57.0651 92.2341 110.7802 3.87_126.0917m/z 126.0916754 3.87 366.0175 441.0533 390.9894 389.3734 393.8470 435.7582 C7H8O p-Cresol P-Cresol 17847 MEDIUM 3.87_206.0428m/z 206.0428224 3.87 3526.2911 3247.2497 3349.0790 3597.5252 3303.9968 3487.9569 3.87_207.0528n 230.0435864 3.87 744.3165 766.6736 731.8319 788.1769 735.1785 809.5336 3.87_327.1545m/z 327.1545444 3.87 1676.4728 1724.8301 1667.3320 1750.0384 1738.8570 1686.8583 C18H24O4 Butyl cyclohexyl phthalate 36605 MEDIUM 3.87_346.2217m/z 346.2217288 3.87 2132.9701 2215.9649 2017.1015 2023.4539 2074.1485 2087.8090 C22H34O4 Diisoheptyl phthalate MEDIUM 3.87_375.0071m/z 375.0071132 3.87 682.9588 642.6580 747.4951 675.0579 774.1795 722.6591 3.87_629.1072m/z 629.1072486 3.87 2873.3803 3216.1513 2986.3190 2878.3912 2971.1644 2956.0005 3.88_132.0496m/z 132.0496403 3.88 866.7836 890.2746 792.4036 865.7862 800.3517 841.5555 3.88_222.0745m/z 222.0745018 3.88 1983.8422 1997.3820 1988.6100 2003.5697 1989.6274 2019.4779 3.88_256.0791m/z 256.079093 3.88 4094.4316 4112.3247 3904.0926 4199.3761 3875.0035 4158.8489 C15H15NO2S Modafinil 417124 MEDIUM 3.88_618.7827m/z 618.782715 3.88 461.3347 658.5153 552.1506 513.4289 560.7899 567.2824 3.88_867.8910m/z 867.8910335 3.88 163.0859 205.1358 152.3607 170.6601 165.8243 132.4618 3.88_895.3520n 918.341195 3.88 319.5922 517.7344 411.3180 374.8532 385.1244 397.9085 3.89_467.6565m/z 467.6565042 3.89 196.5014 230.8641 208.1763 212.6056 196.6948 221.8688 3.89_867.3893m/z 867.3893173 3.89 188.5040 311.7671 184.6872 242.4223 268.7816 220.1396 3.90_221.9531m/z 221.9530805 3.90 1400.8746 1161.4884 1318.9246 1387.2130 1292.9392 1331.3456 3.90_253.9799m/z 253.9798754 3.90 700.8740 453.2698 644.4783 650.8838 625.2113 651.8255 3.90_267.1700m/z 267.1700032 3.90 8003.7203 8674.1393 8601.5202 8492.7350 8700.2038 8703.3072 C14H22N2O3 Atenolol Atenolol 2904 MEDIUM 3.90_287.0868m/z 287.0867634 3.90 3316.1275 3447.7413 3228.9157 3365.9962 3240.2073 3328.8560 3.90_320.2034m/z 320.2034107 3.90 613.4173 625.1929 564.3597 510.5995 600.3470 587.2362 3.90_334.1860m/z 334.1860049 3.90 10077.5968 11999.0427 11064.5171 11115.5278 11392.5342 11214.4293 3.90_448.2074m/z 448.2073726 3.90 5559.2487 6533.0149 6081.8282 6107.0751 6189.2279 6158.8010 3.90_694.6495m/z 694.6494557 3.90 191.2772 288.2309 230.6847 240.9108 253.7394 260.1205 3.91_165.0550m/z 165.0550481 3.91 1706.0352 1786.4807 1750.1367 1799.3787 1774.4000 1833.9735 C9H10O4 Hydroxyphenyllactic acid Hydroxyphenyllactic acid HMDB00755 HIGH 3.91_169.0698m/z 169.0697955 3.91 4629.5905 4752.5188 4595.0237 4636.8289 4596.6381 4725.4888 3.91_197.0673m/z 197.0672712 3.91 15903.3855 16462.1895 16196.7271 15940.0796 16364.9350 16517.1943 C7H8N4O3 "1,3-Dimethyluric acid" "1,3-Dimethyluric acid" HMDB01857 HIGH 3.91_244.9480n 267.9586952 3.91 2527.7684 2197.6175 2316.4588 2364.2061 2312.9868 2335.2226 3.91_418.0126m/z 418.0125513 3.91 369.7240 308.6855 323.3589 353.7070 346.0054 332.7280 3.91_419.2485m/z 419.2485054 3.91 839.8919 976.7187 854.4068 833.3158 897.8221 894.8607 3.91_567.3119m/z 567.3119394 3.91 2183.7705 2753.3542 2284.1470 2405.7557 2419.3012 2288.9730 3.91_693.9829m/z 693.9828547 3.91 568.1089 680.2306 557.1206 635.2933 646.9979 657.3369 3.91_706.6296m/z 706.6295665 3.91 32.0860 69.0614 53.8737 71.7731 67.0818 86.7806 3.92_149.0691m/z 149.0690742 3.92 906.9264 963.1027 952.5421 930.0424 953.2389 972.3830 3.92_300.9692m/z 300.9692373 3.92 193.7783 188.5887 230.8472 207.1893 198.8077 186.1667 3.92_332.1697m/z 332.1697423 3.92 2162.3356 2557.1149 2399.6873 2436.6060 2475.2761 2372.3520 3.92_381.1913m/z 381.1912955 3.92 856.2984 950.8902 846.0714 866.4374 906.6616 967.2801 3.92_432.0782m/z 432.078207 3.92 1977.7149 2107.0971 1929.2945 1990.6063 1995.5944 2001.0278 3.92_433.1110n 456.1100555 3.92 4953.9982 5423.4132 5127.6732 5227.2113 5110.2682 5175.6667 3.92_487.0759m/z 487.0759268 3.92 916.2265 1056.7085 935.8037 936.0281 987.5761 969.6216 3.92_86.0608m/z 86.06084699 3.92 45.4117 44.6025 47.1520 44.2161 59.3063 47.3488 C4H9NO2 Gamma-Aminobutyric acid Gamma-Aminobutyric acid 16865 HIGH 3.93_116.0346m/z 116.0346255 3.93 274.1223 349.5719 313.5322 294.0482 317.0772 297.3855 C9H8O Cinnamaldehyde Cinnamaldehyde 16731 MEDIUM 3.93_128.0127m/z 128.0127339 3.93 439.2469 433.2117 430.5485 421.4241 448.2886 446.9203 3.93_138.5414m/z 138.5414375 3.93 206.0454 197.8714 170.1353 194.0588 169.3342 205.1107 3.93_146.5396n 129.5362915 3.93 213.5644 182.5014 212.5625 189.7506 203.2802 211.4738 3.93_184.0962m/z 184.0961787 3.93 14715.9428 14880.3441 14650.6925 14794.0657 14668.2016 14772.7260 3.93_219.1107n 242.1001809 3.93 49431.8843 51755.3306 50703.7555 51502.8136 51587.4897 51809.9188 C9H17NO5 Pantothenic acid Pantothenic acid HMDB00210 HIGH 3.93_237.5825m/z 237.5825221 3.93 65.6925 58.1006 23.9515 69.1591 54.0079 39.9316 3.93_239.5914m/z 239.5913815 3.93 114.5800 124.7976 127.1809 136.1735 134.3247 125.3021 3.93_258.0653m/z 258.0652935 3.93 7651.4262 7696.8266 7459.4354 7668.5752 7520.3793 7647.5649 3.93_264.0843m/z 264.0842845 3.93 1284.5999 1292.6528 1279.1022 1325.9433 1312.9853 1303.6361 3.93_319.6745m/z 319.6745121 3.93 26.2252 89.3634 64.9538 54.2187 72.3699 40.8522 3.93_477.1747m/z 477.1747248 3.93 3236.0449 3769.1187 3502.2258 3559.0644 3506.6949 3485.0076 3.93_526.7429m/z 526.7429182 3.93 140.9715 200.8223 148.9802 147.3098 155.2117 153.3040 3.93_668.1754n 651.1721334 3.93 1081.3317 1208.1798 1272.9863 1100.4428 1260.3633 1217.6210 3.93_739.1794m/z 739.1794284 3.93 263.1587 432.3996 314.6078 337.8206 302.5515 316.8350 3.93_90.0555m/z 90.05548936 3.93 1276.6351 1471.0735 1386.1429 1403.7687 1431.9098 1410.9485 C8H10 o-Xylene 28063 MEDIUM 3.93_95.0522m/z 95.05219724 3.93 159.9724 182.2825 185.9302 177.4182 164.3634 159.5139 3.94_182.9966m/z 182.99657 3.94 884.3512 784.6706 844.5517 792.8498 800.5327 806.7881 3.94_418.1635m/z 418.1635229 3.94 4693.4544 5428.9843 4705.0344 4896.1140 4806.7841 4900.1788 3.94_460.1008m/z 460.100773 3.94 824.5284 961.5229 833.5936 857.2834 824.6715 834.0898 3.95_147.0902m/z 147.0901696 3.95 3052.2192 3321.1969 3145.6558 3214.2969 3122.3348 3234.7063 3.95_196.1443m/z 196.1442626 3.95 571.8520 634.9559 579.7127 552.5606 651.8133 595.1308 3.95_206.1642m/z 206.1642487 3.95 86.9163 107.1791 106.2370 100.5171 87.8891 101.6950 3.95_209.5884m/z 209.5883513 3.95 91.8554 88.4743 100.2815 79.9846 93.5242 90.8869 3.95_247.1274m/z 247.1273705 3.95 4992.4145 5844.8484 4020.8533 5105.2250 4188.4123 4898.2127 3.95_302.0879n 285.0845717 3.95 3564.8113 3835.5953 3646.3218 3691.8419 3655.2541 3685.2882 3.95_86.0970m/z 86.09703314 3.95 106.2630 109.7463 115.2243 104.2038 118.6073 109.2973 3.96_235.0799m/z 235.0798744 3.96 8276.3060 7597.8700 8037.7473 8049.7673 7969.6216 8132.2137 3.96_274.1641m/z 274.164136 3.96 1077.1529 1248.1930 1102.9249 1150.7011 1167.8583 1137.0783 3.97_113.0583m/z 113.0583243 3.97 70.5576 69.7154 91.3448 85.7750 76.5901 63.1667 3.97_136.9313m/z 136.9312809 3.97 724.1078 536.0052 646.7454 606.1361 632.9017 632.2988 3.97_144.9927m/z 144.992708 3.97 451.9793 375.0422 450.0430 470.0036 473.2835 503.8517 3.97_488.1614m/z 488.1613958 3.97 941.5055 992.9108 992.9048 966.3499 983.0058 949.2534 3.98_274.1181m/z 274.1180651 3.98 9822.4760 11048.7484 10332.7495 10324.5662 10328.7246 10520.9460 C14H18N4O3 Benomyl 3015 MEDIUM 3.98_340.2221m/z 340.2220556 3.98 384.0971 478.4838 419.7596 415.4695 424.7693 452.3777 3.98_464.2008m/z 464.2007745 3.98 841.0136 943.1814 924.8758 835.9023 858.0587 862.0126 4.00_231.0808m/z 231.0807877 4.00 32468.4176 34863.4916 32383.4916 33724.6954 32897.5346 33791.3433 C10H17NO6 Linamarin Linamarin 16441 MEDIUM 4.00_293.0554m/z 293.0554448 4.00 635.9238 574.2245 612.4964 608.7468 583.1550 664.9757 4.00_409.1977m/z 409.1977041 4.00 1224.9255 1480.6683 1270.7717 1301.0088 1267.1611 1323.8454 4.00_507.2632m/z 507.2632499 4.00 164.0711 222.2375 201.5432 198.7363 192.4331 177.1925 4.01_107.0491m/z 107.0491461 4.01 986.2933 1036.9908 965.2299 1038.2802 969.7283 974.9345 C7H8O2 4-Methylcatechol 4-Methylcatechol HMDB00873 MEDIUM 4.01_135.0443m/z 135.0442503 4.01 800.7717 807.8536 684.6766 806.7148 720.3273 781.7892 4.01_288.1785m/z 288.1785228 4.01 1696.0898 1780.2696 1644.5602 1721.4841 1615.4468 1699.9751 4.01_407.1083m/z 407.108263 4.01 1803.3459 1980.8870 1845.3421 1834.3719 1853.6570 1891.6414 4.01_442.2030m/z 442.202987 4.01 1533.2569 1732.4745 1574.0670 1547.0129 1538.4617 1524.7499 4.01_83.0503m/z 83.05033283 4.01 102.8028 109.2242 102.5243 112.1013 117.8290 104.5523 4.01_95.0091m/z 95.00914802 4.01 356.1907 268.4605 299.9942 307.5058 321.5039 301.3980 C5H5NO2 Pyrrole-2-carboxylic acid Pyrrole-2-carboxylic acid HMDB04230 MEDIUM 4.02_115.0080m/z 115.0080104 4.02 203.5011 175.5320 225.8621 195.4235 194.9082 182.9937 4.02_157.0836m/z 157.0835665 4.02 3288.1855 3077.3399 3133.6604 3212.2986 3180.5008 3179.9381 4.02_211.0938m/z 211.0937661 4.02 3711.4530 3707.1914 3741.6234 3776.2584 3665.1244 3728.5013 4.02_219.0540m/z 219.0540191 4.02 3263.3157 3147.2578 2832.8567 3153.8350 2880.8923 3107.9500 4.02_221.0745m/z 221.0745141 4.02 4662.2731 4506.4092 4705.7048 4664.9083 4658.8523 4623.1302 4.02_259.2007m/z 259.200723 4.02 909.3419 940.5262 923.3703 941.5833 907.5197 867.9318 4.02_270.9578m/z 270.9577997 4.02 1069.1173 796.4427 915.3874 923.9860 910.6926 924.6039 4.02_278.1240n 279.1333108 4.02 18851.8669 20352.9406 19772.1042 19898.2800 19799.2049 19780.6967 4.02_284.1608n 302.1946336 4.02 3966.0493 4593.1413 3774.5072 4088.4989 3709.7570 3949.5897 4.02_333.1149m/z 333.1148844 4.02 4096.5629 4079.2653 4303.3638 4279.6283 4266.6539 4216.7972 4.02_486.1931m/z 486.1930571 4.02 1120.5522 1238.0947 1171.2310 1134.2806 1146.8596 1156.8707 C27H34O9 Verrucarin A Verrucarin A MEDIUM 4.03_102.0369m/z 102.0369053 4.03 41.8203 60.0222 67.9628 55.6142 45.9454 49.9504 4.03_132.0660m/z 132.0660065 4.03 2668.1369 2891.5458 2597.3299 2823.5731 2684.6075 2766.6374 C5H9NO3 N-Acetyl-L-alanine N-Acetyalanine HMDB00766 HIGH 4.03_174.9914m/z 174.9913834 4.03 166.9593 100.8696 158.7683 161.1778 141.9632 156.1531 4.03_178.0446n 201.0101356 4.03 519.0168 455.4435 535.5076 505.0462 470.6015 454.2964 4.03_281.1842m/z 281.1842187 4.03 359.7628 384.6629 476.4342 416.5022 428.6913 451.4007 4.03_308.0610m/z 308.0609748 4.03 3992.7256 4004.1768 4059.1389 4019.0809 3973.7582 3985.7800 4.03_331.1428m/z 331.1427903 4.03 4611.6153 5075.4429 5302.3759 5310.4669 5248.4042 5478.3906 4.03_357.2107m/z 357.2106604 4.03 406.2500 457.9207 520.8888 529.4548 478.2136 465.9247 4.03_390.1337m/z 390.1337369 4.03 1285.6479 1355.5516 1318.1771 1282.9143 1246.6004 1283.1328 4.05_165.1387m/z 165.1386722 4.05 378.7961 442.8052 438.5524 447.9924 408.7920 439.5166 4.05_270.1203n 293.1061528 4.05 2227.4198 2134.6463 2296.1765 2316.9430 2344.0049 2288.7141 4.05_296.1486m/z 296.1486323 4.05 20460.7843 24020.5315 23526.5999 23413.5323 23836.1680 23600.8187 C15H18O5 Coriamyrtin MEDIUM 4.05_553.4886m/z 553.4886155 4.05 40.1558 77.4228 52.3406 72.3728 41.8604 53.4941 4.05_743.3369m/z 743.336922 4.05 307.4707 443.9351 393.1945 425.4867 394.4983 403.6300 4.05_744.0085m/z 744.0084553 4.05 264.4756 377.2516 288.6745 285.8842 302.8345 356.1280 4.06_180.0638n 181.0719697 4.06 60892.9478 62664.6300 63387.7873 64788.2317 63647.8691 64270.2474 C7H8N4O2 Theophylline Theophylline 28177 MEDIUM 4.06_181.1820m/z 181.1819538 4.06 1256.5968 1432.6159 1356.2890 1348.3627 1285.6283 1239.9789 4.06_217.1039m/z 217.1039029 4.06 16048.5591 12137.3444 14970.4471 13539.2679 14159.7336 14516.2194 4.06_265.0241m/z 265.0241067 4.06 3725.7675 3268.6693 3859.4404 3864.3485 3755.7281 3818.9666 4.06_280.9970m/z 280.9970256 4.06 740.5431 584.0381 692.4411 688.7498 660.9310 653.7600 4.06_713.9780n 736.9825465 4.06 431.2849 528.4199 553.9392 483.4767 435.8559 491.0293 4.06_714.2872n 737.3129339 4.06 230.4503 259.5470 188.2783 241.7283 233.3014 245.8878 4.06_724.3302m/z 724.3302458 4.06 922.4300 1138.8242 1047.4418 1088.4515 1097.4561 1051.5518 4.06_724.6646m/z 724.664648 4.06 803.0353 1081.5344 955.8485 952.1864 1032.3421 1014.5643 4.06_724.9992m/z 724.9991549 4.06 567.4403 704.1846 649.6547 704.4682 649.2508 656.4601 4.06_737.6473m/z 737.6472854 4.06 96.9418 119.2476 125.9997 116.1904 127.8207 113.8413 4.06_743.6716m/z 743.671587 4.06 270.3687 372.7875 372.2890 358.8850 375.7149 378.9674 4.06_756.3220m/z 756.3220014 4.06 72.5651 95.5060 90.4555 37.9481 64.6865 66.1653 4.06_85.0287m/z 85.0286566 4.06 196.5285 194.6050 221.9062 201.2778 208.8872 193.6615 4.07_113.0352m/z 113.0352242 4.07 126.3886 90.8713 124.3419 115.8081 116.0417 111.6417 C9H7N Quinoline Quinoline 17362 MEDIUM 4.07_276.1800m/z 276.180004 4.07 11545.1125 13510.4391 12699.2525 12877.0990 12946.5640 12790.4425 4.07_312.0926m/z 312.0926093 4.07 3048.0831 2984.4246 3065.3912 2986.9786 3038.6665 3022.9665 4.07_631.0970m/z 631.0970315 4.07 913.6330 971.5410 924.4233 917.2494 940.7113 888.7003 4.08_190.0172m/z 190.0172381 4.08 522.1044 386.1416 455.4477 472.4714 433.1286 452.0075 4.08_243.1319m/z 243.1319028 4.08 1135.5814 1035.2808 1191.3542 1065.4690 1147.1705 1053.2704 4.08_251.0106n 234.0072746 4.08 6782.1612 5286.5029 6210.9063 6157.8852 6214.0843 5985.7483 4.08_280.0077m/z 280.0077294 4.08 501.0108 378.0607 494.4879 477.4624 501.1984 444.1544 4.08_344.2043m/z 344.2043412 4.08 1154.7191 1067.8184 1054.7091 1100.0917 1053.6326 1045.2866 4.08_527.0518m/z 527.0517918 4.08 895.2794 853.3103 850.2612 859.0089 848.0456 842.0947 4.08_662.0634m/z 662.0633955 4.08 1580.1725 1401.8636 1530.5635 1450.9280 1455.0979 1480.2562 4.08_668.0821m/z 668.082096 4.08 663.5153 617.4832 692.5543 657.7576 660.4563 605.6338 4.08_692.0861m/z 692.086135 4.08 190.0411 289.6376 216.1525 287.1081 247.6717 218.8310 4.08_767.0639m/z 767.0639295 4.08 257.6935 264.0909 217.3776 264.9440 184.3280 221.9814 4.09_121.0286m/z 121.02864 4.09 12924.8644 13074.0668 13150.9964 13485.4045 13014.9383 13353.9485 C7H6O3 4-Hydroxybenzoic acid 4-Hydroxybenzoic acid HMDB00500 HIGH 4.09_218.0420m/z 218.0419978 4.09 6375.5923 5027.4403 6163.8504 5854.6197 6120.8760 5808.6379 4.09_244.0273m/z 244.0273124 4.09 771.2752 589.7523 702.9354 707.1144 666.7575 688.3787 4.09_249.9794m/z 249.9794298 4.09 218.4200 173.3504 205.1954 180.1039 209.4883 182.0147 4.09_295.9842m/z 295.984191 4.09 751.6545 492.7311 648.7400 651.1223 688.3936 653.1919 4.09_309.0392m/z 309.0392491 4.09 1559.4507 1134.1950 1510.9011 1427.0391 1536.5482 1398.1118 4.09_320.0013n 338.0546405 4.09 1387.1948 1223.8329 1324.4218 1377.2944 1293.9132 1326.9486 4.09_385.0940m/z 385.0939989 4.09 2764.5207 2878.2940 2818.4800 2815.1655 2845.1947 2848.2743 4.09_429.0593m/z 429.0592686 4.09 7417.0367 6232.9552 6965.9416 6694.1338 7121.6261 6773.8700 4.09_432.0730n 415.0697509 4.09 3511.7618 3106.5138 3691.2844 3397.6084 3584.9950 3305.1104 4.09_457.0537m/z 457.0536982 4.09 1022.1491 1061.7227 1001.6371 1015.5673 979.8414 949.8530 4.09_461.0281n 445.0315605 4.09 2166.9453 1705.5458 2044.1961 1932.0246 2065.3287 1889.6943 4.09_509.0177m/z 509.0176942 4.09 437.6988 384.8959 434.6153 441.2747 434.1623 460.7076 4.09_562.1082m/z 562.1081861 4.09 3034.4121 3215.1247 3158.0713 3227.3055 3014.4700 3191.0077 4.09_624.1114m/z 624.1113927 4.09 3348.1636 2965.5304 3258.3317 3070.8087 3239.7018 3043.3538 4.09_655.1037n 639.0810958 4.09 1517.8069 1394.7968 1481.2545 1409.7627 1382.3009 1388.1876 4.09_659.0737n 642.0703681 4.09 3256.5049 3450.8913 3311.7415 3417.2517 3315.0101 3223.7122 4.09_671.0733n 672.0805423 4.09 2079.7315 1888.6103 1965.6599 1931.4662 1869.1389 1832.2727 4.09_680.0359m/z 680.0358981 4.09 716.8257 715.2166 692.6737 721.5000 700.4398 687.9670 4.09_688.0719m/z 688.0718657 4.09 646.0876 655.2361 633.6861 666.2912 566.7289 612.2279 4.09_854.1238n 837.1205615 4.09 2570.9778 2614.7770 2453.2486 2658.2429 2370.5373 2499.0202 4.09_884.1335n 867.1302325 4.09 1094.4326 1149.9846 977.8161 1125.4239 979.3673 1031.0340 4.09_892.0870n 893.0294243 4.09 566.4625 490.1566 519.7311 579.6912 544.3172 516.4145 4.10_110.0375n 93.03416832 4.10 3011.2232 2962.4122 3037.4950 3085.9210 2978.6876 3031.8071 C6H6O2 Hydroquinone Hydroquinone 17594 MEDIUM 4.10_125.0602m/z 125.0602015 4.10 831.6779 774.9905 863.4085 879.0616 848.4112 851.2982 4.10_134.0605m/z 134.0604989 4.10 3830.7874 4184.0692 3177.9372 3750.0890 3185.4195 3829.4331 4.10_247.0818m/z 247.0817783 4.10 3885.3314 4868.6667 3431.2222 4189.1272 3424.9101 4221.0811 4.10_257.9802m/z 257.9801875 4.10 451.2631 411.5303 401.3648 436.4157 384.5359 445.9650 4.10_263.0854m/z 263.0853569 4.10 1495.6955 1602.1052 1605.1260 1607.1878 1525.9324 1564.9556 4.10_602.0780m/z 602.0780461 4.10 762.0699 757.5418 807.5640 823.7400 760.2785 760.9851 4.10_65.0392m/z 65.03918107 4.10 158.5690 156.4083 175.8005 158.1624 161.9393 156.3670 4.10_690.8124m/z 690.8123979 4.10 103.7753 133.2794 140.6205 100.1794 162.7789 121.8030 4.10_750.1372n 773.131451 4.10 1538.7284 1679.1389 1609.4316 1570.8595 1538.5187 1544.6734 4.10_758.1058n 781.1060698 4.10 765.0058 707.4359 765.4066 755.7316 702.8797 698.6740 4.10_765.0173m/z 765.0173165 4.10 373.7731 449.6807 384.0612 388.9187 365.2694 402.0607 4.10_81.0700m/z 81.07000825 4.10 65.8324 68.8706 76.2002 67.5050 65.1546 69.9051 4.10_815.0612m/z 815.0612406 4.10 80.7118 111.0569 90.3668 101.6596 86.8605 102.4397 4.10_823.1273m/z 823.1273288 4.10 222.0446 266.4167 256.4121 240.2331 227.1925 263.5276 4.10_91.0546m/z 91.05461418 4.10 71.3583 110.8546 60.9934 84.7318 55.1884 76.8792 C7H8O m-Cresol 17231 HIGH 4.10_95.0497m/z 95.0496763 4.10 452.9672 468.4921 477.3815 473.1126 457.5897 471.0173 4.11_132.0449m/z 132.0448985 4.11 1722.3724 1469.2894 1583.5955 1724.3219 1429.5911 1650.6056 4.11_237.1229m/z 237.122912 4.11 2617.5362 2372.4203 2726.2007 2686.3727 2667.1253 2624.3685 C12H16N2O3 Alanyl-Phenylalanine Ala-Phe HMDB28694 HIGH 4.11_300.1794m/z 300.1793695 4.11 911.1902 988.7052 942.1271 1045.4865 880.0591 934.5931 C15H22O5 Octyl gallate MEDIUM 4.11_367.0621m/z 367.0621332 4.11 9099.9721 8545.9009 9091.2590 9404.9881 8908.9058 9177.2567 4.11_554.0685m/z 554.0684742 4.11 1112.8385 1273.5849 1119.9404 1173.6584 1149.0790 1176.3443 4.11_555.0921n 538.0887917 4.11 3185.6388 3228.5942 3352.2469 3328.7048 3168.9947 3140.5701 4.11_728.1349n 751.0945873 4.11 1371.5752 1255.0347 1491.1108 1407.1810 1359.4498 1380.3929 4.11_742.0174m/z 742.017363 4.11 182.1283 160.9405 191.3781 201.4587 185.6583 157.5147 4.11_743.1325n 727.1098924 4.11 1236.7135 1301.5084 1342.9118 1279.6738 1174.4101 1246.7976 4.11_765.6800m/z 765.6799574 4.11 15.2984 83.0324 70.2766 82.3387 68.7450 68.2546 4.11_791.0894m/z 791.0893761 4.11 1798.6259 1810.0900 1766.6461 1916.3429 1691.1875 1817.3222 4.11_830.0676n 831.0338686 4.11 446.3505 405.9713 467.9264 514.2185 371.1112 462.8155 4.11_854.3557m/z 854.3556636 4.11 132.0929 199.1106 155.5684 180.8188 161.4048 175.6967 4.11_899.1324n 900.1114635 4.11 1579.1923 1613.4837 1536.9431 1665.1955 1477.8220 1552.9042 4.11_923.0953n 924.1025627 4.11 392.6391 450.9606 374.1746 453.6635 366.6860 394.2742 4.11_940.1085m/z 940.1085114 4.11 670.3174 656.0852 658.3570 744.2642 562.1219 646.4608 4.12_175.1234m/z 175.1234417 4.12 9117.0324 9286.0382 9073.3066 9481.0856 9145.2730 9462.9612 C11H14N2 N-Methyltryptamine N-Methyltryptamine HMDB04370 HIGH 4.12_290.1595m/z 290.1595476 4.12 13988.3302 13961.7687 14785.1861 15319.5621 14447.4358 14939.4544 4.12_305.0866m/z 305.08665 4.12 6279.2037 6343.1823 6225.0060 6295.8482 6254.7707 6244.2081 4.12_344.0717n 327.0684118 4.12 9540.1461 8434.2963 10186.0282 9983.6010 9874.1359 10061.2903 4.12_360.0383n 383.0332407 4.12 1870.6559 1401.9502 1976.7966 1762.0303 1752.8419 1770.6224 4.12_389.0394m/z 389.0393929 4.12 833.7882 720.4438 846.1980 858.5076 819.1974 831.1053 4.12_427.1459m/z 427.1458916 4.12 3577.1754 3669.8244 3703.3190 3634.5024 3682.3566 3569.6518 4.12_536.0731n 559.0792409 4.12 918.3340 883.9388 1004.5349 905.4942 898.6939 902.5479 4.12_664.1021n 647.0987839 4.12 1873.6351 2020.8977 2052.9843 1967.5032 2018.8725 2008.3429 4.12_741.6684m/z 741.6683619 4.12 49.1254 100.6717 97.1360 112.7385 76.6054 113.0527 4.12_850.1334m/z 850.1333577 4.12 119.5456 111.4221 95.8172 111.7169 108.9513 93.8702 4.12_860.1162m/z 860.1162225 4.12 757.8609 643.8359 692.9731 757.3644 690.0094 697.1707 4.13_180.0884m/z 180.088394 4.13 43193.6560 44026.2825 45150.9155 45552.1406 45272.7640 45865.2303 4.13_187.0282m/z 187.0281516 4.13 403.2066 313.8144 399.1001 391.2192 370.8090 401.9287 4.13_233.0326m/z 233.0326464 4.13 716.1597 463.2902 792.4649 699.5641 720.8951 732.9122 4.13_302.1951m/z 302.1951159 4.13 5684.8361 5672.7722 5968.2260 6193.0131 5857.9411 6071.6660 4.13_312.1300m/z 312.1300426 4.13 9893.3647 9683.6421 10241.1076 10705.0781 10031.2538 10420.6819 4.13_514.2070m/z 514.2069933 4.13 4167.1502 4693.8250 3802.3182 3992.1632 4035.5551 3883.0337 4.13_520.2524m/z 520.2524137 4.13 2022.4544 2362.1170 2053.7938 2201.8685 2154.8603 2046.0416 4.13_604.2413m/z 604.241266 4.13 1671.7452 1684.3755 1481.9433 1610.1854 1501.1971 1479.2693 4.13_635.7883m/z 635.7883326 4.13 118.7738 165.9104 178.4944 155.2013 146.8751 166.8897 4.13_782.1765n 765.17324 4.13 795.1871 643.1002 749.1402 714.7720 746.1821 667.1143 4.13_974.2993m/z 974.2993443 4.13 229.9258 203.3629 207.6285 227.2188 176.2106 187.3995 4.14_635.2864m/z 635.2864483 4.14 374.4685 446.6633 393.7384 420.2760 403.1667 453.3208 4.14_754.2736m/z 754.2735591 4.14 1613.7740 1813.2355 1683.0027 1656.9741 1599.8399 1637.4118 4.14_772.2797m/z 772.2796908 4.14 295.6143 268.4306 343.2689 281.9064 314.5636 273.2635 4.14_778.2967n 762.2741507 4.14 825.5730 755.7197 830.6757 734.2787 819.4654 753.2057 4.14_865.3352m/z 865.3351817 4.14 1054.5229 894.2902 871.6727 978.3447 801.7435 880.2262 4.14_894.2825m/z 894.2824608 4.14 1611.5330 1406.9250 1493.7694 1505.3293 1465.7118 1487.5037 4.14_903.2798m/z 903.2797772 4.14 1225.8303 1108.8691 1112.3335 1113.6721 1086.3693 1029.3867 4.14_939.3442m/z 939.3441523 4.14 1210.3157 995.3223 1155.3548 1126.8856 1075.2154 1050.4832 4.15_122.0911m/z 122.0910917 4.15 88603.0944 90625.2239 88668.5469 88507.2696 91517.1247 89906.7827 4.15_122.1802m/z 122.1801601 4.15 440.4139 493.5995 392.5380 378.1736 374.6822 282.6369 4.15_136.1059m/z 136.1059278 4.15 20381.3601 20232.9118 20209.3663 20157.5566 20558.8710 20160.3611 4.15_140.1225n 163.1165894 4.15 43564.2055 44030.0233 43683.4722 43597.9570 44458.3011 44069.4552 4.15_147.1343m/z 147.1342646 4.15 379.1860 379.9030 363.8273 383.3195 364.7747 346.8822 C4H11N5 "1,1-Dimethylbiguanide" 6801 MEDIUM 4.15_148.1430m/z 148.1429731 4.15 1598.4433 1885.9523 1635.1839 1602.6836 1582.7205 1558.0040 4.15_150.0862m/z 150.0862114 4.15 295094.5139 297943.2331 299202.6556 301224.2732 311533.9627 308162.7014 4.15_150.1196m/z 150.1196033 4.15 8532.2302 9089.8455 9093.0899 8525.8640 9026.6487 8570.4428 4.15_150.1850m/z 150.1849654 4.15 7023.3745 7258.2254 7051.5949 7022.3536 7245.5315 6672.1861 4.15_150.2528m/z 150.2528022 4.15 627.2855 383.5249 490.3550 602.6296 591.3782 543.4253 4.15_150.4186m/z 150.4185975 4.15 929.9269 1011.2851 833.5744 802.0465 807.9707 755.9186 4.15_151.0942n 134.0909172 4.15 19583.0609 19483.2144 19318.4257 19458.9210 19697.6436 19458.6304 4.15_173.0793m/z 173.0792971 4.15 72649.3776 75276.1322 72788.4611 72581.2010 74806.9177 74035.2718 4.15_192.1702m/z 192.1701855 4.15 1115.9842 1040.6486 1063.9719 1034.3017 1035.3403 1203.0357 4.15_192.2090m/z 192.2090054 4.15 30116.1396 30348.8584 29977.2953 30139.1847 30649.2078 28945.7884 4.15_192.2457m/z 192.2456824 4.15 9986.1008 9249.2905 9092.1909 8866.0132 8884.7512 7153.5777 4.15_473.1666m/z 473.1665635 4.15 1306.6785 1194.3625 1223.7654 1222.9382 1212.6056 1199.0894 4.15_672.3322m/z 672.3321809 4.15 1264.5150 1373.5793 1279.9212 1190.7826 1280.2251 1162.2682 4.15_697.3025n 681.2799647 4.15 2819.8756 2646.7979 2679.6305 2682.9381 2751.6446 2612.3141 4.15_861.4471m/z 861.4470742 4.15 762.5308 880.7152 804.9764 798.0126 748.4628 737.1642 4.15_890.4010m/z 890.4009823 4.15 1978.5859 2049.2700 1917.8410 1789.8018 1991.0734 1800.5794 4.15_93.0663m/z 93.06625374 4.15 462.7645 436.4390 420.9493 449.6538 442.3858 443.0811 C2H5NO2 Glycine Glycine 15428 MEDIUM 4.15_94.0733m/z 94.07331007 4.15 2709.6233 2749.3911 2770.0480 2682.8582 2856.0216 2714.1523 4.16_147.1979m/z 147.197866 4.16 279.5681 317.8397 254.2336 208.5423 198.2898 143.0008 4.16_150.2174m/z 150.2174093 4.16 1171.7534 1062.1230 956.4674 929.3348 896.8947 347.7493 4.16_192.2853m/z 192.2853291 4.16 7884.7795 7724.0727 7524.3084 7523.9092 7571.6920 7223.4713 4.16_192.4421m/z 192.442082 4.16 838.4700 864.1750 792.6080 720.5067 677.3098 643.7469 4.16_195.1067m/z 195.1067474 4.16 3639.8423 3543.0390 3721.7010 3611.3268 3699.2745 3593.4379 4.16_473.1922n 457.1947771 4.16 3677.7567 3433.1094 3614.3453 3543.9862 3686.9280 3496.3529 4.16_542.7818m/z 542.7817985 4.16 97.6818 91.1285 94.1805 80.1564 91.7196 78.1996 4.16_666.3159m/z 666.315914 4.16 3748.9491 3534.5010 3774.7169 3508.8638 3897.4127 3610.1189 4.16_780.2882m/z 780.2881876 4.16 378.1181 335.6837 352.4031 365.8293 345.8229 334.6842 4.16_895.3472n 879.3246057 4.16 1269.4208 996.2931 1040.9695 1068.5005 1004.0068 1056.7932 4.17_105.0665m/z 105.0665235 4.17 460.3123 403.9038 459.4755 422.2567 446.7568 420.1596 4.17_191.2027m/z 191.2027311 4.17 6296.5320 6186.8616 6116.1369 6193.2822 6214.6121 5762.0525 4.17_191.4645m/z 191.4645336 4.17 659.2256 663.1747 542.4270 532.5294 484.7433 452.2220 4.17_208.1339n 192.097882 4.17 840964.2628 834188.6982 852682.5633 857725.4668 878215.3991 873086.5141 4.17_661.8002m/z 661.8001984 4.17 855.6846 1035.0597 968.8363 1024.1506 980.7753 950.3628 4.17_680.7735m/z 680.7734689 4.17 77.5353 64.6193 83.8043 77.3750 68.8212 77.8278 4.17_851.3351m/z 851.3351319 4.17 170.2395 221.0528 209.3804 211.2114 188.0723 172.9084 4.18_304.1749m/z 304.1749032 4.18 4901.3089 5332.8383 4836.7264 5023.6427 4958.7137 5096.3074 4.18_306.0445m/z 306.0444912 4.18 500.8453 420.9728 477.3900 450.6636 456.3184 432.0784 4.18_626.7836m/z 626.7836383 4.18 1057.5662 1277.8529 1061.9428 1068.5543 1204.5261 1088.0146 4.18_826.3029m/z 826.3028501 4.18 126.8170 169.9931 117.3801 96.9073 95.0678 93.2456 4.18_840.3066m/z 840.3065723 4.18 357.1305 377.5772 347.6994 349.7093 309.6172 316.5307 4.18_927.3739m/z 927.3738774 4.18 306.2628 315.5174 348.3501 280.2328 337.6885 266.8896 4.19_201.1233m/z 201.1232862 4.19 3861.4069 3704.8774 3710.1307 3926.9357 3661.6186 3777.1461 C14H19NO Ethoxyquin 48723 MEDIUM 4.19_247.1284m/z 247.1283782 4.19 9693.7619 9375.2768 9281.2674 9747.7544 9115.1962 9414.6852 4.19_252.0730m/z 252.0729975 4.19 12018.0395 11987.4713 11584.1470 12149.0725 11540.9633 11943.0003 C13H17ClN2O2 Moclobemide HMDB15302 HIGH 4.19_356.1444m/z 356.1444241 4.19 2983.2499 2874.0687 2823.5247 2973.0134 2892.3027 2804.0859 4.19_384.1146m/z 384.1146071 4.19 15298.6660 16230.9371 15701.4065 15912.2045 15828.8726 15728.3853 4.19_493.1816m/z 493.1816251 4.19 3508.1247 3609.5430 3450.1961 3475.3724 3462.3450 3438.8076 4.19_603.2397m/z 603.2396982 4.19 178.0335 180.1435 175.3922 167.0627 168.1508 168.4703 4.19_670.2038m/z 670.2038299 4.19 4315.4784 3589.2458 4014.0539 4251.8929 3924.0153 4016.7755 4.19_694.1716m/z 694.1715717 4.19 776.6730 816.0301 803.0690 818.8416 855.7935 737.5235 4.19_837.8477m/z 837.8476619 4.19 85.9413 98.0326 88.6730 95.4851 98.4371 105.1930 4.19_843.2668m/z 843.2667963 4.19 174.2384 227.4678 181.8599 201.0783 173.3228 169.5248 4.19_930.2979m/z 930.2979055 4.19 542.9354 606.6823 582.7582 542.7021 544.3963 434.1728 4.20_148.1078m/z 148.1078362 4.20 187095.9804 191492.8475 188752.1871 189265.6633 192930.9181 193199.1805 4.20_165.2100n 148.2067433 4.20 3944.9555 4168.0026 3587.1780 3480.3588 3565.9654 3036.8367 4.20_192.4756m/z 192.4755793 4.20 8131.3848 8213.4031 8076.1532 8136.2094 8232.0274 8013.5584 4.20_419.2490m/z 419.2489625 4.20 10256.6259 10104.4929 10086.9019 10193.8186 10060.5750 9886.3892 4.20_806.2434m/z 806.2433652 4.20 1668.8173 1595.5212 1633.1814 1673.5518 1733.4391 1641.9943 4.20_837.3431m/z 837.3430889 4.20 360.0113 432.9494 388.1008 386.1453 350.6812 344.9108 4.20_883.2147m/z 883.2146567 4.20 1349.5560 1324.1332 1435.2268 1385.1728 1489.7866 1287.3067 4.20_920.2114m/z 920.2114213 4.20 241.3856 268.4880 319.1709 261.9605 236.6608 225.2599 4.21_104.0578m/z 104.0578361 4.21 67.8983 62.3053 54.9530 64.7741 46.8718 61.4817 4.21_330.0814m/z 330.0814493 4.21 3192.1629 2903.7089 2987.0886 3072.2216 2879.8746 3037.9320 4.21_461.0870m/z 461.0869637 4.21 4776.5930 4299.7451 4501.7407 4474.5075 4426.4947 4377.8516 4.21_544.2463m/z 544.2463284 4.21 2153.2093 2512.2572 2091.7541 2120.0419 2232.6034 2065.8549 4.21_632.2571m/z 632.2570613 4.21 2194.1341 2197.5757 2351.4058 2228.2004 2372.0719 2185.5874 4.21_654.2339m/z 654.2339164 4.21 1969.8924 1836.6101 1913.2849 1869.7261 1820.8650 1810.9869 4.21_759.3134m/z 759.3133687 4.21 943.0309 1139.0690 1089.8539 1044.5974 1055.1551 1017.5891 4.21_867.2507m/z 867.2506758 4.21 2706.7982 2440.3964 2714.9277 2656.3864 2770.3203 2590.0886 4.21_899.1911m/z 899.1911198 4.21 496.3194 603.5687 502.0478 500.2576 570.9131 509.3835 4.21_991.2850m/z 991.2850257 4.21 168.2799 149.8783 89.5212 182.8496 154.9743 100.8885 4.22_136.0395m/z 136.0394904 4.22 196.3989 184.0195 184.3300 184.7409 169.1878 189.9933 4.22_192.1374m/z 192.13743 4.22 4948.3599 4525.2468 4652.9332 5457.3083 5622.7174 5475.8763 4.22_206.0441m/z 206.0440636 4.22 550.8965 524.9399 493.9303 547.4514 498.3608 561.6423 C7H14N2O4S Aldoxycarb MEDIUM 4.22_247.0842m/z 247.0842169 4.22 2240.1972 2098.7282 2306.9947 2359.2134 2354.0368 2142.9518 4.22_362.1530m/z 362.1529868 4.22 2904.3622 3049.6741 2804.5145 2988.3241 2835.6381 2938.4731 4.22_586.2602m/z 586.2601791 4.22 1623.2391 1739.8734 1447.6629 1574.7815 1438.2080 1552.8587 4.22_751.2442m/z 751.24418 4.22 603.3029 618.5307 651.7427 539.8434 607.8052 551.0735 4.22_837.1557n 820.1524222 4.22 409.9037 481.5484 457.0281 434.7532 429.0438 387.0131 4.22_889.2356m/z 889.2355723 4.22 232.9415 217.1870 223.6599 235.0296 247.0964 205.5022 4.22_907.1894m/z 907.1894429 4.22 208.9502 175.1366 231.0287 202.0654 185.5488 150.2501 4.23_122.0253m/z 122.0253319 4.23 86.8316 87.6655 92.2716 87.1682 87.8476 91.5313 4.23_131.0771n 132.0808068 4.23 11199.4199 11297.9733 11190.5165 11449.5362 11032.9758 11279.3918 4.23_134.0602m/z 134.0602397 4.23 1887.5092 1816.5063 1869.8601 1840.3954 1909.9560 1872.1717 C8H7NO Mandelonitrile 2-Hydroxy-2-phenylacetonitrile 18450 MEDIUM 4.23_141.0567m/z 141.056704 4.23 679.4851 698.0431 737.3261 727.4846 703.2699 699.8271 4.23_144.0802m/z 144.080218 4.23 31845.5752 32675.5377 32153.7144 32420.4566 32203.0023 32612.6337 4.23_146.0610m/z 146.0610281 4.23 25890.2602 26059.4833 26625.6287 27231.5264 26906.9090 27520.4239 C9H9NO2 4-Acetamidobenzaldehyde 4-Acetamidobenzaldehyde MEDIUM 4.23_155.1150m/z 155.1149691 4.23 250.5775 253.3165 241.4091 268.1929 238.5573 256.8331 4.23_183.1088m/z 183.1087686 4.23 1236.7723 1136.3293 1119.3741 1191.9686 1103.7398 1146.3840 4.23_187.0642n 188.0714289 4.23 95972.5463 95570.1648 97724.3975 100071.1117 96217.4303 99640.3981 4.23_244.1277m/z 244.1276645 4.23 612.3833 588.7549 555.9445 591.9420 553.6061 595.0627 C10H14N2O4 Porphobilinogen Porphobilinogen HMDB00245 HIGH 4.23_333.0295m/z 333.0294882 4.23 221.6892 179.4949 228.1321 214.5948 217.1961 207.7453 4.23_398.0243m/z 398.0242694 4.23 341.0359 266.3121 333.6541 264.4117 239.0260 283.8008 4.23_414.2155m/z 414.2154654 4.23 3111.0308 3267.6791 3366.5392 3275.9386 3372.9169 3256.2485 4.23_456.0543m/z 456.0543422 4.23 474.4474 413.4297 393.1143 422.4838 451.6411 450.7845 4.23_633.8002m/z 633.8001926 4.23 259.4122 320.5913 273.4687 249.1663 296.4847 268.2259 4.23_649.1985m/z 649.1985158 4.23 1158.8385 1212.8272 1218.0694 1179.2944 1218.7321 1109.3666 4.23_665.1694m/z 665.1693611 4.23 938.0450 1044.3005 971.8117 1026.4509 976.8500 951.3296 4.23_681.1539m/z 681.1538631 4.23 552.7410 601.4146 580.1587 547.7928 595.7540 538.4636 4.23_691.2338m/z 691.2337529 4.23 1885.8870 1854.6850 1805.1304 1861.0960 1858.1057 1793.4303 4.23_801.2090m/z 801.2090179 4.23 182.0566 174.2065 186.3409 182.0932 171.6636 191.2551 4.23_857.1823m/z 857.1822894 4.23 255.7019 224.0144 283.5629 269.8575 235.1378 236.6257 4.23_862.2155m/z 862.2154932 4.23 1078.0153 1201.1555 1233.4590 1113.7113 1278.2975 1121.7567 4.23_878.1882m/z 878.1881792 4.23 572.2403 649.3672 586.7447 629.0820 604.6644 542.0874 4.23_91.0545m/z 91.05450674 4.23 502.0942 478.4818 492.7764 500.4700 500.5512 476.3166 C7H8O m-Cresol 17231 HIGH 4.24_138.0011m/z 138.0011206 4.24 167.5240 157.6113 155.6287 163.3571 142.1688 160.8393 4.24_371.1730n 372.1804815 4.24 12491.3519 12616.0646 12182.1046 12608.4450 15003.4702 10817.6543 4.24_544.1672n 567.2296536 4.24 2203.6169 2326.3609 2217.3682 2297.0587 2216.9977 2253.1530 4.25_100.1125m/z 100.112474 4.25 350.7913 323.2160 355.6707 333.9973 346.8573 366.7320 4.25_257.9796m/z 257.9796113 4.25 309.6863 230.7288 301.8748 304.7918 230.2961 265.7619 4.25_278.1307m/z 278.1306873 4.25 1214.0700 1187.6382 1159.9496 1232.5999 1188.7619 1193.8000 C14H21N3O2S Sumatriptan 10650 MEDIUM 4.25_328.1853m/z 328.1853244 4.25 3931.3028 3986.1733 3801.2312 3916.5729 3814.8854 3922.2637 C18H27NO3 Capsaicin 3374 MEDIUM 4.25_594.2288m/z 594.2287921 4.25 1251.9568 1563.5598 1442.4716 1417.6042 1491.0179 1428.8819 4.25_869.8952m/z 869.8951996 4.25 190.8598 202.6788 203.3596 188.7657 254.0034 226.6708 4.27_153.0551m/z 153.055091 4.27 4476.0997 4373.7164 4301.8844 4442.6626 4241.4460 4307.6738 C8H8O3 p-Hydroxyphenylacetic acid P-Hydroxyphenylacetic acid HMDB00020 HIGH 4.27_195.0647m/z 195.06474 4.27 2315.6025 2128.8741 2149.0301 2230.1730 2146.2422 2214.6465 4.27_270.1329m/z 270.1329438 4.27 1414.6014 1423.9822 1308.0377 1415.4677 1288.1007 1356.5075 4.27_350.1170n 368.1454636 4.27 6176.2304 5955.9588 6104.1459 6222.2038 6090.2724 6007.6945 4.27_445.1780m/z 445.1779742 4.27 1310.1406 1344.0890 1360.2832 1334.4040 1383.3249 1330.9408 4.27_533.2720m/z 533.2720347 4.27 271.5754 393.7952 349.8213 355.5544 340.1215 301.0178 C29H42O10 Convallatoxin CHEBI:27663 MEDIUM 4.27_598.7830m/z 598.7830003 4.27 69.8551 92.5946 48.1524 56.3402 106.2423 64.9201 4.28_344.2041m/z 344.2041134 4.28 1449.3675 1686.3118 1388.0766 1543.7084 1375.4691 1483.3450 4.29_167.0020m/z 167.0020392 4.29 950.2349 722.3512 810.4855 917.3902 802.8741 872.6545 4.30_115.0069m/z 115.0068766 4.30 133.5015 90.8558 121.8652 112.4748 110.5584 102.3339 4.30_157.0835m/z 157.0835307 4.30 5876.2494 5297.9925 5468.5442 5704.6646 5556.0895 5506.5663 C8H15NO3 Swainsonine HIGH 4.30_209.0417m/z 209.0416842 4.30 285.5711 234.4525 243.0464 227.1123 244.3256 262.0843 4.30_219.0541m/z 219.054102 4.30 10422.2304 9250.0544 9688.7242 10057.4858 9854.7728 9631.7366 4.30_349.1376m/z 349.1375595 4.30 1083.5208 1128.9921 1025.1606 1151.5651 1071.0634 1011.6446 4.30_386.0589m/z 386.0589029 4.30 592.3276 600.0561 653.3502 630.9593 696.6616 664.9049 4.30_436.0844m/z 436.0843767 4.30 1163.3992 1180.1655 1177.6610 1205.8038 1197.6032 1177.0136 4.30_456.2109m/z 456.210899 4.30 1294.4088 1356.3135 1398.5270 1331.2284 1351.0045 1274.4860 4.30_736.0044m/z 736.0044316 4.30 505.6159 675.8856 610.0059 562.8749 565.4316 605.3936 4.30_736.3375m/z 736.3375392 4.30 406.4173 474.5552 473.0413 440.2344 505.0973 484.0943 4.30_736.6721m/z 736.672059 4.30 221.7299 323.5639 318.6934 286.5449 261.6597 284.0327 4.30_755.8440m/z 755.8439772 4.30 83.9115 153.8536 82.8049 134.6596 157.5231 158.1189 4.31_100.0761m/z 100.0761234 4.31 156.1298 160.7222 165.9895 161.0988 166.9150 174.5308 C5H9NO 2-Piperidinone 2-Piperidinone HMDB11749 HIGH 4.31_112.0412m/z 112.0412084 4.31 378.3368 354.6363 311.7925 364.5527 351.0136 344.7222 4.31_142.1149n 126.0923227 4.31 14453.4897 15295.7729 14999.5304 15232.1299 15067.6509 15042.5333 4.31_179.5902m/z 179.5901801 4.31 205.3829 186.6953 194.1718 207.7474 193.9413 202.7552 4.31_184.1215n 207.1107299 4.31 107891.1692 97728.0543 103668.6161 106926.7353 105337.4768 105734.6331 4.31_203.0646m/z 203.0645555 4.31 4476.9136 4161.4643 4536.9599 4477.1507 4507.5807 4381.1679 4.31_204.6034m/z 204.6034169 4.31 293.3657 295.5882 289.3612 282.5743 278.9131 282.9126 4.31_207.2282m/z 207.2281908 4.31 1439.7940 1024.5284 1264.3324 1270.8777 1258.4603 1131.3213 4.31_269.0836m/z 269.0835695 4.31 6118.9260 5572.8728 5848.3042 6044.0442 5787.3316 5768.2930 4.31_304.1711m/z 304.1710584 4.31 7310.3716 8591.1706 7666.5653 7952.8241 7830.4867 7867.5347 4.31_425.1399m/z 425.1399207 4.31 1715.6276 1799.5820 1653.6195 1776.2471 1634.9662 1640.7457 4.31_497.8742m/z 497.8742096 4.31 123.2690 121.9309 129.2005 127.0703 113.5276 122.5146 4.31_620.1998m/z 620.1997828 4.31 665.4673 754.5121 741.1402 702.0649 705.4656 664.1555 4.31_726.8328m/z 726.8327783 4.31 1992.0856 2250.5709 2099.3875 2174.5050 2438.7439 2314.2063 4.31_727.3339m/z 727.3338677 4.31 1204.9136 1525.8976 1327.9035 1402.8869 1593.9762 1550.2203 4.31_755.3433m/z 755.3433294 4.31 419.0106 599.2831 505.9476 495.9012 596.4284 547.7361 4.31_98.0606m/z 98.06058565 4.31 595.8401 607.7565 593.8239 616.5755 605.5274 590.2875 C5H9NO2 L-Proline Proline 17203 HIGH 4.32_260.0528m/z 260.0527643 4.32 2690.5768 2629.0052 2622.7857 2678.9235 2588.5296 2671.3597 4.32_293.0660m/z 293.0659518 4.32 2120.1372 1986.2753 2019.1386 2054.4769 2014.2524 1974.0997 4.32_300.9690m/z 300.9690355 4.32 721.9839 546.2835 670.6469 670.7674 685.2942 730.4548 4.32_375.1765m/z 375.1764682 4.32 1517.5052 1584.0267 1407.8402 1508.5264 1446.7421 1468.2656 4.32_497.5399m/z 497.5398911 4.32 202.4016 220.7332 214.1076 201.7683 201.9740 220.2064 4.33_137.0600m/z 137.0599764 4.33 856.4524 837.8324 814.2313 864.1193 806.0128 808.9320 4.33_224.1275m/z 224.1275494 4.33 1587.0596 1604.9387 1566.2717 1676.1189 1605.6412 1596.0342 4.33_233.0764n 234.0347507 4.33 1832.2029 1645.8833 1874.2948 1785.7596 1809.2380 1764.1232 4.33_458.1912m/z 458.1911949 4.33 3492.4301 3977.0207 3723.0658 3763.0513 3672.7502 3680.5534 4.34_120.0450m/z 120.0449733 4.34 437.1046 373.2547 472.8428 383.4058 450.7301 381.3892 C7H7NO2 2-Aminobenzoic acid 2-Aminobenzoic acid 30754 MEDIUM 4.34_213.0373m/z 213.0372966 4.34 1626.3582 1584.0583 1542.7245 1588.2026 1580.4939 1633.9058 4.34_288.1781m/z 288.1781446 4.34 636.1737 605.9686 617.9975 545.7014 669.5267 587.7550 4.34_296.0569n 319.1274439 4.34 7748.7002 7754.7649 7671.2012 7766.1987 7634.0927 7837.7835 4.34_393.1887m/z 393.1886797 4.34 1002.5247 1083.4556 998.6928 1006.5923 954.9334 976.8237 4.35_105.0693m/z 105.0693268 4.35 70.1870 106.9434 69.4667 95.1521 67.5066 62.7174 4.35_168.1383m/z 168.1383202 4.35 1129.8837 1344.0332 1197.5090 1305.8801 1168.8145 1231.4871 4.35_229.0025m/z 229.0025076 4.35 308.2432 225.1771 288.9776 262.8459 261.2548 265.9919 4.36_144.9929m/z 144.9928892 4.36 121.3964 52.8340 127.9792 127.5851 108.1770 134.3255 4.36_150.0356m/z 150.0355592 4.36 134.7761 152.0726 103.1875 157.0929 134.6062 162.5112 4.36_205.0799m/z 205.079942 4.36 94738.1065 102322.9632 98172.0336 103950.6529 101082.3739 104502.2719 C6H10N6O Dacarbazine Dacarbazine 4305 HIGH 4.36_205.1967m/z 205.1966677 4.36 1214.8333 1489.3195 1333.8510 1442.1697 1284.9735 1305.5656 4.36_712.3257m/z 712.3256689 4.36 145.3256 298.3614 168.2356 215.4276 210.2585 213.6323 4.36_712.6588m/z 712.6588066 4.36 120.7968 188.9862 158.3693 172.2247 146.9927 149.4140 4.37_107.0498m/z 107.049767 4.37 167.0634 192.0835 175.5575 209.8165 172.5815 174.2647 4.37_201.1233m/z 201.1232539 4.37 1354.5011 1490.0433 1497.3347 1475.3058 1443.8808 1452.6490 C14H19NO Ethoxyquin 48723 MEDIUM 4.37_247.1278m/z 247.1277577 4.37 3400.7368 3629.7933 3614.4772 3566.8694 3555.8293 3497.9995 4.37_255.2066m/z 255.2065534 4.37 135.9083 127.4603 144.5476 137.2405 153.6994 127.4900 4.37_314.0955n 298.1577111 4.37 1475.6602 1474.8268 1415.1061 1486.5003 1443.7547 1454.4895 4.37_362.1524m/z 362.1523599 4.37 1369.1700 1462.8873 1323.6831 1435.4443 1323.3313 1351.4531 C18H20FN3O4 Ofloxacin Ofloxacin HMDB15296 HIGH 4.37_412.2316m/z 412.2316023 4.37 665.3529 639.7006 697.0448 674.5073 656.3483 681.7565 4.38_144.1299n 145.1338798 4.38 541.4716 540.3571 536.2744 549.6675 543.1123 537.8778 4.38_186.1368n 209.1255336 4.38 12502.1138 12511.9725 13190.7033 13004.2848 13056.1608 12812.2565 4.38_331.2218m/z 331.2217816 4.38 1010.0001 1100.1340 1017.7365 1049.3699 1011.0525 1004.0363 4.38_333.1144m/z 333.1144459 4.38 6113.8210 6436.4730 6225.5614 6355.3721 6225.0332 6245.2510 4.39_104.0499m/z 104.0499236 4.39 526.8067 579.3424 519.8117 553.1621 506.7078 526.9103 4.39_132.0451m/z 132.0450777 4.39 15542.7430 16157.2796 15956.2457 15995.5347 16097.5172 15975.7463 4.39_226.5721n 249.565226 4.39 228.8864 211.4450 176.1484 197.4463 216.9617 172.7896 4.39_257.0442m/z 257.044171 4.39 1550.2910 1561.8602 1609.2843 1582.0094 1531.6567 1565.0183 4.39_257.5479m/z 257.5478824 4.39 580.2218 636.8142 577.0507 608.0773 554.6545 603.1445 4.39_272.1368n 255.1335447 4.39 5273.7040 6009.3091 5584.6256 5822.5000 5507.3840 5556.5472 4.39_276.0180m/z 276.0179693 4.39 227.2423 167.8205 237.0254 216.2927 188.3584 193.3272 4.39_300.1782m/z 300.1781574 4.39 1046.1449 1298.5464 1236.2546 1162.2663 1119.2978 1224.8375 C20H28O3 Cinerin I MEDIUM 4.39_345.0601m/z 345.0601425 4.39 563.2777 650.9599 546.7796 586.0561 568.3476 539.9210 4.39_345.5613m/z 345.5613179 4.39 155.2182 195.6111 166.3746 191.2785 158.1835 182.0946 4.39_348.0691m/z 348.0690686 4.39 21746.7110 24208.6825 22273.3492 23660.4214 22277.1520 23051.5446 C10H19O6PS2 Malathion 6651 MEDIUM 4.39_380.0069m/z 380.0068571 4.39 1012.0594 936.2924 918.7777 1022.1867 878.0310 932.6280 4.39_535.2071m/z 535.2070824 4.39 1269.2211 1536.8565 1328.3544 1402.1861 1281.8289 1348.1719 4.39_673.1453m/z 673.1452813 4.39 1999.2852 2335.7438 2232.2191 2220.8613 2142.1326 2115.5214 4.39_689.1131m/z 689.1130791 4.39 2675.9136 3246.5378 3014.2290 3008.4389 2907.3782 2886.0275 4.39_705.0874m/z 705.0874068 4.39 891.1453 1068.5361 927.6296 989.0206 936.8430 946.3120 4.39_787.0946m/z 787.0945889 4.39 219.4882 302.9519 190.5496 265.9278 200.0922 274.7107 4.39_902.1159m/z 902.1158897 4.39 695.1222 835.8033 719.3563 733.0812 737.6919 709.5241 4.40_172.9765m/z 172.9765325 4.40 215.0566 185.6800 200.0250 193.4054 191.7059 195.6913 4.40_185.0808m/z 185.0807646 4.40 4613.7762 5047.6646 4734.3565 4870.7153 4875.9158 4977.9629 C9H12O4 Vanylglycol Vanylglycol HMDB01490 MEDIUM 4.40_221.5368n 204.5335403 4.40 508.2674 515.7009 458.1452 497.7174 466.2552 496.2649 4.40_244.1544m/z 244.1544352 4.40 44276.9776 47641.6468 44771.2851 46322.4120 45829.1802 46222.0947 4.40_276.1799m/z 276.1798989 4.40 2850.3910 3109.9133 3060.0898 3040.4180 3079.6336 3034.4652 4.40_495.2207n 478.2174066 4.40 3195.4992 3475.6766 3236.0074 3343.1934 3295.5276 3288.9790 4.40_596.7641m/z 596.764102 4.40 127.0650 153.0302 152.3952 167.3099 160.0247 155.9879 4.40_652.1012m/z 652.1012109 4.40 790.5491 882.7650 754.2711 821.4003 759.2994 731.2587 4.40_85.0290m/z 85.02898344 4.40 754.5386 830.8139 758.7737 808.5062 812.9922 811.0568 4.41_171.0353m/z 171.0352897 4.41 3914.4884 3471.7531 3985.1922 3887.8311 3902.4095 3889.1544 4.41_191.5261m/z 191.5261019 4.41 123.9507 131.9071 108.5322 128.1158 122.5378 125.2410 4.41_213.5429m/z 213.5429415 4.41 114.2380 94.2439 87.8957 85.7567 88.8453 99.0138 4.41_242.5492m/z 242.5491807 4.41 196.8279 186.4018 179.2590 197.0179 168.9582 145.7980 4.41_273.5501m/z 273.5501002 4.41 134.1807 153.6230 98.4741 112.4393 101.6482 124.8663 4.41_280.5479m/z 280.5479289 4.41 137.0423 137.2925 149.0534 144.1635 148.3319 123.6475 4.41_283.5630m/z 283.563042 4.41 66.7210 104.7126 67.1616 84.8598 60.9561 73.6276 4.41_292.5494m/z 292.5494276 4.41 404.2921 432.2491 416.3267 448.5464 409.9106 411.5328 4.41_344.2039m/z 344.2038879 4.41 1848.0777 1954.7814 2000.7219 1967.2084 1982.9381 1931.4107 4.41_348.1769m/z 348.1768848 4.41 348.0034 383.9845 403.6756 380.2475 385.2763 367.9920 4.41_562.0937m/z 562.0936961 4.41 7842.2036 8381.2556 7805.7499 8127.5802 7956.8648 7887.0438 4.41_735.1171m/z 735.1171338 4.41 969.8826 1120.7332 1007.9668 1110.2928 1047.8059 1052.2710 4.42_109.0652m/z 109.0651774 4.42 724.2221 743.3078 719.3169 759.5042 749.5302 734.9102 4.42_119.0498m/z 119.0498078 4.42 1699.4670 1868.9585 1639.2284 1711.5234 1663.6606 1766.0330 4.42_121.0288m/z 121.028766 4.42 3704.3839 3994.0768 3746.0248 3858.9825 3756.7251 3884.7806 C7H6O3 "3,4-Dihydroxybenzaldehyde" HMDB59965 HIGH 4.42_147.0448m/z 147.0447733 4.42 8276.0984 8169.4810 8154.7689 8362.0768 8240.8528 8425.3755 C9H6O2 Coumarin Coumarin 28794 MEDIUM 4.42_162.5389m/z 162.538933 4.42 58.4147 45.1788 49.3538 66.5334 50.5274 41.5254 4.42_205.0172m/z 205.0171594 4.42 1155.0680 961.3416 1084.6464 1060.7097 1090.0156 1031.5833 4.42_205.5241m/z 205.5240561 4.42 466.1519 414.1874 413.7130 431.3024 439.5984 434.5270 4.42_208.5333m/z 208.533307 4.42 101.1148 93.9466 102.8773 79.0533 107.8693 77.9345 4.42_234.0112m/z 234.0111603 4.42 1044.8721 936.9797 1009.9610 986.2793 1015.2165 1062.8444 4.42_235.9765m/z 235.9765375 4.42 270.3892 208.3095 219.3500 227.7500 213.9723 224.4516 4.42_243.1710m/z 243.170952 4.42 348.7243 401.9733 390.7040 334.7454 420.2316 373.3487 4.42_267.0192m/z 267.0192364 4.42 1455.9014 1189.1378 1143.0107 1287.9362 1058.2955 1253.2000 4.42_375.1787m/z 375.1786727 4.42 940.5596 1033.2631 955.7889 1006.4233 945.6770 947.9875 4.42_394.0738m/z 394.0737897 4.42 7901.3561 8761.0826 8246.2301 8502.7196 8206.6947 8441.4183 4.42_403.0663m/z 403.0663435 4.42 3231.8572 3098.3126 3074.4171 3166.6001 3068.5982 3190.1600 C15H16F3N5O4S Prosulfuron Prosulfuron MEDIUM 4.42_568.7969m/z 568.7969196 4.42 31.7729 95.5391 68.6799 53.6018 64.3505 79.4359 4.42_571.1276m/z 571.1276111 4.42 4796.5414 5049.2384 4798.4051 4942.5521 4776.4143 4761.6308 4.42_585.1198m/z 585.1198049 4.42 2265.4652 2263.8399 2299.0609 2399.9253 2203.9101 2252.3781 4.42_592.1001m/z 592.1000923 4.42 1039.5204 1043.4058 1018.6434 1095.0457 994.4073 1021.8563 4.42_600.0871m/z 600.0870964 4.42 1956.8818 2007.8536 2023.6555 2079.0798 1961.4619 2032.0122 4.42_77.0388m/z 77.03881305 4.42 122.5535 141.6791 126.3079 133.5503 126.2965 141.5011 C6H6O Phenol Phenol 15882 MEDIUM 4.42_90.0476n 91.05485521 4.42 537.1089 531.9692 558.4913 562.3160 530.9471 566.0886 4.42_93.0701m/z 93.07008418 4.42 93.3142 84.4462 99.0902 98.9032 98.1392 78.7365 4.42_95.0499m/z 95.04985178 4.42 636.3047 713.8651 627.1465 672.0245 603.0376 651.9855 4.43_102.9708m/z 102.9708072 4.43 297.1021 226.2257 263.0708 270.7658 270.5217 266.5621 4.43_173.0538m/z 173.0537899 4.43 2178.4961 2179.9428 2196.9050 2159.6116 2188.5182 2227.7475 4.43_211.5445m/z 211.544465 4.43 60.7687 59.9797 56.1755 78.7809 61.4408 59.1735 4.43_227.5362m/z 227.5361894 4.43 326.1036 314.0440 326.1159 274.2370 333.1801 328.3110 4.43_229.9881m/z 229.9881035 4.43 1338.5414 1123.3477 1145.7425 1274.7930 1220.3725 1169.8696 4.43_240.5412m/z 240.541162 4.43 118.6622 103.6537 135.0846 95.6201 106.6142 111.9033 4.43_260.0511n 243.0477687 4.43 46735.6965 54379.0487 49752.3003 48633.2646 50468.4379 53692.4178 4.43_284.1435m/z 284.1434759 4.43 1432.4328 1566.4871 1506.6516 1559.5757 1508.4643 1513.6393 4.43_288.0873m/z 288.087273 4.43 3603.2256 3696.4579 3462.1218 3669.7443 3485.7860 3630.3614 4.43_289.5484m/z 289.5484196 4.43 61.6522 75.2031 53.4880 67.7671 49.5594 33.7276 4.43_409.0466n 427.0804179 4.43 6122.3360 8538.7610 4859.5595 7404.0220 4895.4239 6739.0801 4.43_456.0435n 479.0716066 4.43 2808.7613 3172.2869 2756.9286 3013.0191 2858.8262 2966.0405 4.43_567.1136m/z 567.113625 4.43 2283.9907 2359.6937 2304.6742 2350.3218 2270.5196 2301.2264 4.43_573.1462m/z 573.1461987 4.43 809.6196 821.2320 816.5306 851.2818 775.1368 780.5639 4.43_623.1233m/z 623.1232812 4.43 1025.6738 1075.2083 1035.7430 1074.8809 1009.8063 1051.0391 4.43_765.1293m/z 765.1293314 4.43 880.2676 959.1314 916.8365 910.1568 914.9865 959.9494 4.43_83.0499m/z 83.04991129 4.43 519.5104 541.3252 487.2327 525.0652 523.0437 531.5651 C5H8O2 Glutaral Glutaral 64276 MEDIUM 4.43_880.0973m/z 880.0973406 4.43 489.5902 622.2117 438.8051 536.6676 356.7704 489.2864 4.44_140.0694m/z 140.0694453 4.44 315.4211 337.7861 329.6850 320.5580 321.6924 319.6999 4.44_155.0003m/z 155.0002904 4.44 103.7320 120.7366 105.2371 112.9199 123.6222 130.2979 4.44_194.5189m/z 194.518945 4.44 44.8812 55.7410 51.3825 36.7075 34.1939 47.8902 4.44_198.5162n 221.5364064 4.44 53.0065 66.7832 53.6415 55.5404 43.0462 78.1103 4.44_281.5783m/z 281.578322 4.44 175.8985 152.9928 177.3089 179.2301 160.6428 156.2035 4.44_305.0176m/z 305.0175823 4.44 720.1785 537.9870 685.6955 640.2643 651.6039 602.6142 4.44_790.1025m/z 790.102499 4.44 723.5803 913.1613 775.9583 806.8893 723.8511 780.7840 4.45_213.1231m/z 213.1231015 4.45 2674.6643 3050.0201 2805.6750 2879.3829 2751.3444 2914.5856 C10H16N2O3 Butabarbital Butabarbital 3228 MEDIUM 4.45_326.1509m/z 326.1509102 4.45 2197.9798 2496.6213 2146.8517 2295.2753 2192.1162 2293.1920 4.45_425.0250m/z 425.0249577 4.45 1187.8119 1051.8801 1227.4084 1140.0081 1245.0882 1156.8301 4.45_442.2060m/z 442.2060066 4.45 1593.7089 1814.4415 1673.1844 1670.7004 1657.9432 1671.6019 4.45_486.1962m/z 486.1961795 4.45 1705.1362 2083.1622 1801.7683 1900.7700 1813.7984 1862.0944 4.46_170.1177m/z 170.1177375 4.46 868.5403 904.1421 838.7027 860.3442 846.6113 829.4225 4.46_181.9895n 182.9969871 4.46 1685.3368 1455.1836 1575.4323 1637.4041 1549.4444 1629.7927 4.46_245.5383m/z 245.5383484 4.46 144.6308 113.3832 119.7299 92.2965 149.5298 150.1093 4.46_254.5421m/z 254.5420632 4.46 66.1516 63.0609 80.1108 78.9076 57.5806 80.7250 4.46_256.0625m/z 256.0625131 4.46 8354.1012 7966.2354 8499.3059 8300.2238 8520.2151 8424.0499 4.46_262.1628m/z 262.1628158 4.46 541.2133 595.9530 548.1470 572.4075 589.2853 562.6556 4.46_297.0987m/z 297.0986809 4.46 1097.7277 1110.0649 1093.2160 1101.8149 1072.6119 1171.4662 4.46_456.1106m/z 456.1106014 4.46 3122.7092 3340.4277 3156.1281 3256.1500 3234.7557 3199.6606 4.47_104.0498m/z 104.049836 4.47 263.9299 259.5660 269.4255 238.1813 262.2201 260.5834 C7H5N Benzonitrile 27991 MEDIUM 4.47_115.0640n 98.06072544 4.47 72.4634 108.9062 92.3759 91.6625 91.5459 73.1215 C5H9NO2 L-Proline Proline 17203 HIGH 4.47_171.5519m/z 171.5518762 4.47 365.7324 335.2584 329.8881 355.9231 322.1897 327.1831 4.47_180.5567m/z 180.5566727 4.47 109.0924 102.1827 92.9184 126.3072 120.7232 106.8571 4.47_189.1227m/z 189.1226695 4.47 454.0934 530.4525 489.1217 480.4273 534.7112 543.8079 C8H16N2O3 Leu-Gly Leu-Gly MEDIUM 4.47_248.5552m/z 248.5552069 4.47 130.0640 158.6299 117.7969 153.3182 126.1787 143.4253 4.47_262.5363m/z 262.5362699 4.47 98.5538 69.3680 79.4943 118.4826 123.0717 73.5125 4.47_267.1306m/z 267.1306401 4.47 5151.4926 5120.4569 5275.2808 5386.1356 5355.8298 5274.9949 4.47_314.0687m/z 314.0687433 4.47 1417.1388 1400.1217 1409.5389 1410.2752 1415.4310 1416.3256 4.47_323.0422n 306.0389165 4.47 3894.9373 3975.0012 3474.9963 3911.7098 3476.9087 3852.2062 4.47_330.1466m/z 330.1466117 4.47 1464.0621 1551.9626 1523.7032 1475.3695 1554.3859 1539.3489 4.47_348.0687m/z 348.068742 4.47 17197.5414 17301.3702 18005.9230 17824.5867 18441.4900 17842.7146 4.47_426.2122m/z 426.2122269 4.47 60082.3885 69860.7179 64165.8853 65955.5189 66622.9370 65702.0038 C21H28O8 Triacetoxyscirpenol MEDIUM 4.47_629.2288m/z 629.2287603 4.47 685.4058 903.4216 749.8637 788.1817 791.4121 744.0537 4.47_671.0788m/z 671.0788025 4.47 1322.8702 1354.2655 1366.4947 1318.9211 1349.7485 1333.7769 4.47_689.1120m/z 689.1120082 4.47 1097.3756 1180.6009 1176.1093 1188.1466 1209.6895 1190.4425 4.47_693.1368n 694.113469 4.47 6186.8572 6861.2780 6209.9483 6525.6803 6154.5785 6275.3275 4.49_147.9833m/z 147.9833185 4.49 181.5253 146.8003 140.0809 158.2142 154.6420 179.6710 4.49_195.0623m/z 195.0623175 4.49 4751.2186 5173.9288 4307.4284 4659.1304 4390.1370 4772.6318 4.49_264.0722m/z 264.0722146 4.49 1693.1331 1659.2497 1574.4324 1699.4808 1543.3654 1676.8572 4.49_304.1502m/z 304.1501921 4.49 8239.4354 8965.8562 8898.0766 8736.2218 9085.5483 8769.5530 4.49_344.0521n 367.0908299 4.49 7564.4287 7750.5578 7763.1402 7829.6536 7735.0687 7678.6367 4.49_893.1161m/z 893.116132 4.49 2091.8192 2146.2020 2015.2635 2006.5916 1929.4015 1869.4713 4.49_931.1041m/z 931.1041133 4.49 674.7017 627.1850 656.8935 634.8860 525.1889 541.7159 4.50_111.0436m/z 111.0435748 4.50 434.6802 434.6842 428.4162 433.2073 429.2998 408.8034 4.50_242.6652m/z 242.6652377 4.50 259.1230 287.5638 264.2198 271.5183 275.0402 289.9244 4.50_248.9798m/z 248.9798447 4.50 707.1940 510.4658 610.3165 604.7178 586.1419 615.1050 4.50_259.1905n 282.1432544 4.50 908.6441 1065.5222 1041.5307 1033.0689 1105.3213 1084.9412 4.50_261.2166m/z 261.2166472 4.50 274.5670 304.1861 281.8120 268.3396 306.3510 268.0378 4.50_296.1341m/z 296.1341028 4.50 2372.4281 2354.1896 2484.9114 2528.0877 2494.5164 2372.2244 4.50_302.1954m/z 302.1954151 4.50 10173.1586 10631.7725 10370.6715 10840.4282 10594.6709 10371.7867 4.50_780.1224m/z 780.1224342 4.50 2620.0579 2871.6913 2660.0872 2709.5219 2678.4116 2539.9919 4.51_385.0991m/z 385.0991418 4.51 5478.6571 5877.1411 5440.2357 5538.5208 5579.9337 5559.6377 4.51_417.0721m/z 417.0720561 4.51 2917.8249 2932.6087 3000.6671 2957.7322 3014.8052 2894.6864 4.51_522.0971m/z 522.0970827 4.51 4576.3998 4595.4099 4510.4930 4582.3987 4523.1585 4501.5411 4.52_139.0668n 123.0442062 4.52 8454.3399 8553.1295 8354.7461 8557.1933 8407.9343 8505.3976 4.52_151.0398m/z 151.0397617 4.52 22175.5764 22915.9826 21689.4561 22068.9764 22200.0051 22268.9769 C8H8O4 Homogentisic acid Homogentisic acid HMDB00130 HIGH 4.52_152.0388n 153.0226727 4.52 2444.2083 2208.4112 2267.4508 2344.7129 2310.8984 2350.1093 4.52_174.9708m/z 174.9708226 4.52 58.8830 44.7981 46.9191 45.8613 50.2604 44.9956 4.52_181.0470m/z 181.0469954 4.52 18026.9817 28506.6381 9164.3671 18898.2845 9874.7721 19011.3817 C7H10O4 Succinylacetone Succinylacetone MEDIUM 4.52_187.1804m/z 187.1803629 4.52 236.2890 253.6814 232.6415 234.2690 239.0991 258.4612 4.52_197.0119m/z 197.0118594 4.52 1664.2906 1494.2530 1575.1961 1591.9358 1602.8736 1546.0405 4.52_197.0672m/z 197.0671943 4.52 37185.2705 37326.3988 36420.2802 36874.8101 37161.9878 37871.6884 C10H10N2O 1H-Indole-3-acetamide 1H-Indole-3-acetamide HMDB29739 HIGH 4.52_248.0529m/z 248.0528912 4.52 6666.3892 6201.7277 6391.8974 6350.6178 6571.0555 6515.3373 4.52_249.1051n 250.1110618 4.52 9636.4391 9455.2248 9541.9774 9531.6753 9708.8827 9546.6033 4.52_254.1375m/z 254.137496 4.52 3949.8325 3879.8780 3925.7893 3892.8513 4075.2430 3922.3239 C13H16O4 Bis(2-methoxyethyl) phthalate HIGH 4.52_296.9910m/z 296.9909599 4.52 611.6776 468.2139 538.3052 579.6135 549.9762 501.4575 4.52_307.1258m/z 307.1257691 4.52 5362.4693 5419.3621 5430.9551 5619.6987 5736.7896 5554.4094 4.52_346.1831m/z 346.1830512 4.52 1329.2791 1588.7355 1367.8596 1454.0146 1392.8167 1444.3702 4.52_419.5025m/z 419.5024693 4.52 314.5738 345.1281 292.1681 323.7824 319.8750 344.5082 4.52_423.0878n 446.0849326 4.52 6507.6445 6883.5989 6393.6638 6761.8979 6472.0088 6610.2740 4.52_442.0876n 443.1175342 4.52 1169.0924 1214.8947 1219.2306 1158.7489 1159.9820 1199.1017 4.52_451.1177m/z 451.1176545 4.52 1037.4611 1117.1220 1073.6506 1059.8539 1055.4700 1093.9491 4.52_466.0963m/z 466.0962663 4.52 973.3283 940.3427 895.9512 934.4695 955.5507 950.6183 4.52_477.0827m/z 477.0826763 4.52 1171.0055 1090.1305 1139.8475 1141.9082 1167.6958 1107.0959 4.52_513.1111m/z 513.1111178 4.52 4383.3964 4580.2010 4379.3855 4510.6804 4461.1660 4508.5339 4.52_60.0813m/z 60.08132804 4.52 65.5803 60.4910 71.6339 59.8831 81.1197 64.2738 C3H9N Trimethylamine Trimethylamine 18139 MEDIUM 4.52_609.7772m/z 609.7772425 4.52 723.3926 1007.9321 905.6202 890.8873 942.4039 960.1458 4.52_618.1321m/z 618.1321335 4.52 1246.4639 1184.0256 1182.8214 1206.0275 1197.1605 1135.8786 4.52_620.7674m/z 620.7673569 4.52 292.0707 422.1266 326.2117 364.5219 359.9847 375.5272 4.52_647.1349m/z 647.1349146 4.52 1432.4576 1420.4054 1407.0407 1361.2412 1427.8727 1370.0127 4.52_680.1157m/z 680.1157468 4.52 3772.1872 3984.6811 3754.6987 3898.6010 3928.4318 3765.7257 4.52_77.0388m/z 77.03880285 4.52 126.4798 113.2397 126.8662 120.8002 120.9980 120.4703 C6H6O Phenol Phenol 15882 MEDIUM 4.52_785.1227m/z 785.1226905 4.52 748.8628 893.8731 795.1055 765.7184 734.6609 785.9163 4.52_814.1461m/z 814.1460556 4.52 1630.6459 1814.4948 1598.6076 1593.3198 1598.0012 1671.3882 4.52_851.1149m/z 851.114895 4.52 1050.7061 1072.7928 964.8473 976.9325 984.6262 993.1125 4.52_867.1310m/z 867.1309745 4.52 683.2887 702.4087 606.3577 665.8543 648.8898 523.4198 4.52_881.1845m/z 881.1844647 4.52 423.1439 432.1063 497.3507 415.1478 461.9792 444.4812 4.52_891.1370n 875.1144646 4.52 1763.9881 2171.2253 1910.9457 1894.0213 1915.1341 1730.0940 4.52_904.1288m/z 904.128807 4.52 325.0883 381.0273 428.2627 337.2714 325.7413 348.2853 4.52_911.1232m/z 911.1231816 4.52 658.7817 810.4375 692.5182 743.1312 735.4056 711.2873 4.52_93.0342m/z 93.03417295 4.52 205.7483 232.9295 196.3215 213.8703 195.2887 221.1239 4.54_137.0235m/z 137.0234904 4.54 127.9321 108.8006 116.8528 102.2577 106.2912 117.3288 C7H6O4 Protocatechuic acid Protocatechuic acid HMDB01856 99-50-3 MEDIUM 4.54_175.9776m/z 175.977618 4.54 58.6286 37.0710 43.9412 48.5995 51.5143 42.0923 4.54_281.0185m/z 281.0185257 4.54 5336.1217 4582.8384 4916.6753 5059.9042 4966.1994 5169.3423 4.54_304.9861m/z 304.9860536 4.54 261.8885 202.1661 273.9451 241.8467 288.0071 268.1044 4.54_316.1743m/z 316.1742779 4.54 15659.9175 17621.8356 16821.3379 17017.1050 17290.0045 17273.3580 C15H22O6 Toxin T2 tetrol MEDIUM 4.54_328.2095m/z 328.2094891 4.54 1791.8998 2014.4744 1956.0116 2016.3547 1995.9939 2004.4057 C22H32O3 Testosterone Propionate 290629 MEDIUM 4.54_550.1110m/z 550.1109726 4.54 3706.2376 3866.0680 3684.0661 3835.0796 3749.3964 3685.6459 4.54_628.7491m/z 628.7490845 4.54 139.8592 189.0990 187.8376 165.4820 186.1160 174.1346 4.55_199.1433m/z 199.1433481 4.55 158.5380 181.6149 182.8617 186.8126 184.7694 160.5923 4.55_258.6615m/z 258.6615303 4.55 168.0264 200.4717 198.4456 190.0379 207.5215 221.1644 4.55_344.2041m/z 344.2040892 4.55 1616.6623 1832.4558 1803.1787 1791.2042 1746.4626 1797.5164 4.55_407.1806m/z 407.1806029 4.55 1063.6823 1338.1999 1173.9593 1324.7333 1274.3459 1275.7548 C23H28O5 "6,7-Dihydroxybergamottin" MEDIUM 4.55_495.1723n 496.1795742 4.55 10627.1867 11927.0657 11684.5474 11454.8570 11881.1657 11687.0592 4.56_150.0262m/z 150.0262301 4.56 63.8021 24.6396 37.7036 35.7956 35.7510 16.6207 C6H6N4O2 7-Methylxanthine 7-Methylxanthine HMDB01991 MEDIUM 4.56_248.1752m/z 248.1752469 4.56 7124.3760 7588.3503 6115.9651 7682.1335 6439.3063 7652.4148 4.56_279.6851m/z 279.6851219 4.56 3921.2775 4760.0659 4722.0296 5129.3104 5176.5247 4847.8463 4.56_284.1256m/z 284.1255559 4.56 1878.4807 1751.2102 1902.2981 1813.3665 1992.5558 1752.6111 4.56_292.1173m/z 292.1173443 4.56 2485.4526 2442.3592 2574.6111 2482.8805 2592.5446 2506.8566 4.56_99.0919m/z 99.09186588 4.56 263.1459 267.8490 280.7137 282.0217 275.4508 269.8676 4.57_132.1020m/z 132.1019829 4.57 866.5673 969.6389 941.7327 978.0688 979.6982 942.5956 C6H10O2 Gamma-Caprolactone HMDB03843 MEDIUM 4.57_201.1230m/z 201.1230369 4.57 4681.0680 5310.4223 5049.3009 5124.1032 5188.1735 5121.3150 C14H19NO Ethoxyquin 48723 MEDIUM 4.57_246.1199n 247.1294712 4.57 17504.3349 21342.4357 18842.6704 18827.9432 19206.3399 20081.4337 4.57_70.0292m/z 70.0291983 4.57 66.4374 85.7315 88.6180 81.2438 81.8838 81.9946 4.57_718.8330m/z 718.8330388 4.57 258.0943 358.1678 279.9156 377.7303 347.7761 334.0682 4.57_719.3335m/z 719.3335043 4.57 171.0071 239.1414 179.0418 222.4831 248.5518 260.6173 4.57_83.0494m/z 83.04939469 4.57 109.4341 117.6269 99.9802 100.7857 107.2074 112.0647 4.57_86.0969m/z 86.09691577 4.57 386.9913 425.4620 422.5373 423.2070 439.1742 433.7208 4.58_205.0466m/z 205.0465887 4.58 329.5290 403.6964 311.0335 383.4169 389.7782 232.5111 4.58_300.9681m/z 300.968088 4.58 1423.6098 1203.9590 1234.7504 1288.0386 1325.7342 1293.9814 4.58_304.1771n 322.2109528 4.58 2369.6604 2387.6445 2468.5831 2407.3729 2488.1195 2453.8841 4.58_306.9850m/z 306.9849614 4.58 641.8918 606.5311 691.1099 681.5126 647.0989 631.5537 4.58_314.1564m/z 314.156401 4.58 1498.0239 1523.8688 1577.5995 1539.2098 1588.5490 1555.0365 4.58_399.2092m/z 399.2091918 4.58 298.7708 345.6916 466.3592 372.2897 372.0392 338.4815 4.59_144.9926m/z 144.9925938 4.59 184.6041 140.1658 180.5713 186.6572 187.1800 180.2051 4.59_177.9993m/z 177.9993457 4.59 280.0973 300.1488 276.2964 276.5859 264.2993 281.4648 4.59_178.0605n 196.0943558 4.59 7001.9853 6824.1476 6779.6693 6899.4669 6858.9407 7098.6324 4.59_284.9995m/z 284.9994664 4.59 569.6921 520.4793 585.2729 594.5614 584.2623 588.2907 4.59_288.1798m/z 288.179788 4.59 11024.2432 12325.0468 11679.0939 11829.3568 11771.0564 12139.3118 4.59_381.0802m/z 381.0802377 4.59 3410.1983 3544.1547 3577.7649 3647.5263 3585.2196 3583.9817 4.60_100.0761m/z 100.0760977 4.60 307.6979 306.2973 313.1690 299.5781 315.4788 304.5095 C5H9NO 2-Piperidinone 2-Piperidinone HMDB11749 HIGH 4.60_165.0550m/z 165.0550097 4.60 3537.9686 3583.6588 3458.2973 3536.8654 3475.1218 3549.4562 4.60_437.0958m/z 437.0957955 4.60 7782.9664 8146.7220 7654.4228 7896.1094 7656.1392 7648.0624 4.62_106.0293m/z 106.0292749 4.62 1787.7042 1738.1682 1771.5979 1760.9444 1726.3925 1801.2012 4.62_135.0559m/z 135.0558802 4.62 14425.7306 14696.8782 14450.4796 14555.3404 14382.6376 14651.6936 4.62_180.0631n 181.0703357 4.62 77769.5559 77802.4799 77254.5943 77647.0115 77095.7624 78994.3627 C7H8N4O2 Theophylline Theophylline 28177 HIGH 4.62_181.1806m/z 181.1806257 4.62 1073.1050 1216.7088 1046.4803 995.2409 996.1032 954.6016 4.62_219.0056m/z 219.0055599 4.62 1032.7682 894.5529 953.2446 980.1771 958.1026 1007.8379 4.62_243.0820m/z 243.0819954 4.62 1831.5754 1513.1945 1701.8751 1706.3658 1719.4287 1684.1563 4.62_257.1854m/z 257.1853653 4.62 1445.3273 1526.7418 1492.7281 1561.8221 1488.8726 1535.1267 C13H21NO3 Salbutamol 2549 HIGH 4.62_412.1315m/z 412.1315444 4.62 1508.8359 1582.2963 1504.2011 1531.8030 1506.0812 1517.0693 4.62_720.3379m/z 720.337908 4.62 382.0712 670.0070 562.0796 534.3011 486.7047 502.1559 4.62_720.8407m/z 720.8406955 4.62 182.7309 245.5289 201.5951 238.1389 214.2578 224.3199 4.62_818.1248m/z 818.1248175 4.62 509.6576 642.0911 574.3959 560.1365 636.8765 487.8763 4.62_95.0375n 78.03421715 4.62 465.8747 421.9769 473.0516 476.3430 473.3203 450.8067 4.63_125.1242n 109.1015746 4.63 2072.7698 2075.1580 2051.6604 2101.9519 2032.9576 2095.1643 4.63_131.0948n 115.0542175 4.63 317.1090 290.1656 308.2080 320.4993 322.1703 305.1901 C6H13NO2 L-Leucine Leucine 15603 MEDIUM 4.63_136.0893n 154.1236115 4.63 178900.0962 178095.2522 179365.8488 183616.7385 180707.7948 184965.2043 C9H12O 2-Isopropylphenol 38506 HIGH 4.63_154.4602m/z 154.4602486 4.63 883.5453 829.0877 814.6447 842.4954 767.2149 802.6531 4.63_171.1632n 154.1598626 4.63 3481.3676 3303.3923 3590.6972 3551.2350 3437.3294 3669.7368 4.63_171.2277n 154.2244277 4.63 8260.0079 8347.7311 8152.8470 8371.5226 8144.1422 8031.7866 4.63_171.2605n 154.257231 4.63 1599.6727 1318.7941 1299.5864 1314.8224 1155.5135 812.4895 4.63_172.1336m/z 172.1335895 4.63 157633.4901 157540.4374 158248.6326 162685.7727 160595.1620 163773.9101 C9H17NO2 Gabapentin Gabapentin 42797 HIGH 4.63_172.4896m/z 172.4896377 4.63 684.8408 739.0138 621.5403 650.1262 585.1537 609.3228 4.63_361.0545m/z 361.0545042 4.63 1289.9806 1212.7400 1327.0039 1274.8764 1320.0763 1289.6309 4.63_55.0180m/z 55.01795215 4.63 103.5944 90.6580 104.0086 101.8566 104.2188 90.1783 C3H4O2 Malondialdehyde Malondialdehyde 566274 MEDIUM 4.63_67.0547m/z 67.05468466 4.63 211.7907 200.2856 226.8775 218.3583 223.6348 206.0124 4.63_91.0547m/z 91.05470295 4.63 1022.4585 1023.6210 1033.4513 1025.3540 978.9706 1054.1514 C7H8O p-Cresol P-Cresol 17847 MEDIUM 4.63_93.0701m/z 93.07013249 4.63 674.9478 646.8790 652.1562 686.8632 654.8965 668.6364 C7H8 Toluene Toluene 17578 MEDIUM 4.63_95.0860m/z 95.08601234 4.63 2242.4210 2199.8675 2165.9967 2202.1897 2181.9188 2227.0515 C7H12O 2-Heptenal HIGH 4.64_314.1927m/z 314.1926927 4.64 688.4414 636.1977 707.6811 684.1992 718.5161 679.6801 4.64_79.0542m/z 79.05418247 4.64 156.8049 160.5883 146.3887 163.2722 146.6350 145.2004 4.64_81.0699m/z 81.0699117 4.64 104.6323 105.6778 106.0581 113.3858 115.2177 102.0220 C6H10O 2-Hexenal HIGH 4.65_874.3523n 875.3596017 4.65 9250.1117 12831.5527 10637.5955 10679.0260 10819.4255 10885.6569 4.65_913.3051m/z 913.3050643 4.65 508.1819 644.1699 567.0223 545.7454 580.4341 652.2194 4.66_171.0623m/z 171.062264 4.66 1147.0749 965.9503 995.2870 1111.0585 1015.1764 1030.5501 4.66_292.1017m/z 292.1017148 4.66 3595.1135 3570.2949 3343.7453 3527.9444 3353.3516 3542.6051 4.66_315.9611m/z 315.9611051 4.66 398.5974 284.5617 387.3680 369.3162 381.5176 375.0974 4.66_428.1898m/z 428.1897962 4.66 859.6994 895.7769 903.6668 907.9283 864.3161 880.9793 4.66_439.2146n 457.1563278 4.66 6043.5887 5866.6262 5856.7989 5874.3262 5875.5286 6088.5576 4.66_449.6728m/z 449.6728466 4.66 194.3371 225.0923 173.1115 216.4881 200.9996 176.9750 4.66_457.6581m/z 457.6580675 4.66 1559.6756 1543.9572 1538.1306 1546.6392 1520.1147 1575.2017 4.66_584.2646m/z 584.2645553 4.66 1944.7868 2008.1118 1961.9457 1900.9078 1974.2201 1954.2329 4.66_922.3855m/z 922.3855376 4.66 355.8051 539.3780 372.7066 377.7170 431.3062 376.6459 4.67_187.0955m/z 187.095498 4.67 7096.0857 7316.9009 7325.2502 7398.5131 7382.0068 7323.0772 4.67_222.1483m/z 222.1482678 4.67 2303.0693 2269.1354 2294.1480 2293.7552 2262.9337 2323.6062 4.67_228.1816n 251.1377867 4.67 2753.9033 2688.9247 2706.8560 2745.3470 2730.6958 2673.2582 4.67_246.1699m/z 246.1698778 4.67 62067.5797 64968.9766 64394.5811 64484.9072 64441.9758 64906.4850 4.67_450.1061m/z 450.1061209 4.67 1734.3366 1829.4180 1752.6883 1814.4788 1739.7873 1792.8055 4.68_166.1225m/z 166.1225291 4.68 525.2346 541.0145 535.1552 550.0716 534.2513 535.2253 C10H15NO Ephedrine Ephedrine 15407 MEDIUM 4.68_172.0714n 156.0445671 4.68 1023.9310 1072.4217 1049.1950 1057.4408 1045.9562 1084.4200 4.68_256.1127m/z 256.1127252 4.68 790.5133 706.1633 817.8559 770.1958 752.9191 750.6346 4.68_342.1848m/z 342.1847893 4.68 705.5268 681.7037 726.9364 717.3708 672.3111 701.9122 4.69_155.5376n 178.5401817 4.69 175.5140 166.9843 183.9292 169.9251 135.7452 176.5226 4.69_193.0082n 211.0581241 4.69 64707.4631 59996.9476 63936.1537 64059.2861 62552.6065 64388.5106 4.69_208.5505m/z 208.5504906 4.69 95.2267 125.6058 123.1391 110.4172 100.1627 116.9433 4.69_234.0522m/z 234.0522172 4.69 5037.6535 5182.2209 4871.0425 5131.5372 4916.9697 5111.0773 4.69_242.9957m/z 242.9956777 4.69 1103.5469 1004.9099 1018.4439 1086.0098 955.6959 1021.4970 4.69_244.0262n 227.0228782 4.69 10915.1016 9706.4347 10337.9797 10643.8439 10224.4396 10459.3920 4.69_300.1301n 323.1201821 4.69 15760.1156 16733.8717 15790.9757 16329.0764 15992.4214 16344.8991 4.69_345.1033m/z 345.1033257 4.69 3187.4359 3241.1657 3186.6410 3170.9777 3167.9506 3273.5982 4.69_401.1124m/z 401.1124013 4.69 5748.4159 6481.8397 5975.1177 6017.1735 5998.5922 6078.3280 4.69_416.0937n 417.1010233 4.69 3693.2723 3887.2151 3609.1042 3800.8164 3628.7399 3702.6982 4.69_430.0614m/z 430.0614381 4.69 1636.6961 1712.8710 1690.2240 1671.9152 1638.2665 1693.2864 4.69_512.1468m/z 512.1468247 4.69 1785.6662 1881.4435 1766.6580 1776.4718 1731.2731 1788.1712 4.69_527.1504m/z 527.1503577 4.69 1551.3624 1714.3856 1627.3242 1614.1231 1650.6762 1638.5026 4.69_663.1173m/z 663.1173377 4.69 2925.9118 3240.9808 3003.0957 2996.2407 2933.8821 2856.9684 4.70_107.0490m/z 107.0489615 4.70 226.4854 245.8458 245.0860 250.9882 268.6804 255.6769 4.70_149.0626m/z 149.0625564 4.70 861.1160 750.5493 812.9763 841.0062 808.5671 863.1909 4.70_270.0596n 293.0635663 4.70 3995.3654 4021.9753 3815.9877 3963.0448 3797.6549 3972.6870 4.70_298.9906m/z 298.990632 4.70 198.1957 198.3390 133.6053 196.8198 138.7319 153.5528 4.70_321.5586m/z 321.5586148 4.70 54.2365 49.3403 48.0238 46.1497 37.3919 26.2422 4.70_354.1537m/z 354.1536643 4.70 8762.4903 9884.5328 9278.7968 9432.1916 9228.4201 9416.5546 4.70_355.0395m/z 355.0394699 4.70 2529.3811 2567.8853 2380.5555 2518.6843 2390.6587 2497.9419 4.70_415.0908m/z 415.0908279 4.70 6636.0162 7229.4095 7099.8970 7062.4209 7058.9218 7101.9033 4.70_497.1002m/z 497.1001729 4.70 1260.5799 1275.1419 1305.8384 1325.2648 1271.4499 1301.2537 4.70_533.0679m/z 533.0678691 4.70 1907.6065 2098.5825 1977.2096 2050.4657 1913.4084 1952.7851 4.70_579.1222m/z 579.1222092 4.70 4449.5864 4723.8465 4474.3090 4538.0723 4442.4638 4381.5051 4.70_649.1203m/z 649.1203376 4.70 1183.2190 1297.4026 1279.6612 1271.0968 1218.4159 1219.2302 4.71_182.1171m/z 182.1170792 4.71 86.6940 89.5875 89.2510 101.3238 77.8608 104.4963 4.71_231.0691m/z 231.0691352 4.71 1782.8879 1834.1200 1709.1140 1776.7633 1682.1159 1828.4992 4.71_317.0868m/z 317.0867802 4.71 1914.1187 1978.0055 1807.3516 1890.7123 1856.8742 1887.8440 4.71_344.9954m/z 344.9954098 4.71 535.7851 435.9044 502.8189 540.7387 451.0977 534.1520 4.71_386.1120m/z 386.111978 4.71 5811.1353 6202.5497 5882.5127 6076.2907 5808.6906 6031.9277 4.71_389.1523m/z 389.152258 4.71 2615.5502 2863.5527 2620.8836 2742.7256 2602.3364 2703.4113 4.71_451.1820m/z 451.1820244 4.71 3707.4627 4032.9646 3889.1911 3915.4266 3921.6826 3881.6225 4.71_628.1150m/z 628.1149895 4.71 1395.1806 1497.4782 1491.8486 1433.5519 1409.8078 1441.6513 4.71_86.0969m/z 86.0969346 4.71 617.4890 679.3395 651.2464 678.0670 641.1371 678.6910 4.72_132.1022m/z 132.1021614 4.72 2782.5074 3192.4802 2896.0384 3044.4894 2969.0643 3038.1333 C6H10O2 Gamma-Caprolactone HMDB03843 HIGH 4.72_172.0649m/z 172.0648534 4.72 271.4190 250.8998 295.6469 263.5905 267.6823 273.7947 4.72_216.0562m/z 216.0561597 4.72 1509.3158 1383.4161 1413.1910 1450.3249 1366.4048 1472.1230 4.72_260.1390n 261.1439941 4.72 13623.5701 15281.8049 14298.0048 14748.3716 14205.3470 14713.0756 4.72_357.1247m/z 357.1246896 4.72 3809.7420 3999.8106 3767.2961 4015.7324 3809.5283 3933.7961 4.73_146.0606m/z 146.0606211 4.73 11160.0797 11800.9442 11267.7069 11664.0668 11319.8727 11658.9401 C9H9NO2 4-Acetamidobenzaldehyde 4-Acetamidobenzaldehyde HIGH 4.73_192.0660m/z 192.0659703 4.73 4892.3846 5184.2220 5051.3621 4941.2695 5008.5911 5182.9286 4.73_214.1428m/z 214.1427862 4.73 307.9312 362.3751 323.6173 349.5718 325.2094 355.9424 4.73_260.0320m/z 260.0319763 4.73 897.3466 842.9836 818.0585 866.8301 804.5130 877.5492 4.73_274.9840n 276.0176592 4.73 2032.9407 1809.4477 2006.1340 2019.4799 1981.0787 2073.3012 4.73_291.9923m/z 291.9922638 4.73 559.2322 401.9245 472.0579 512.0083 435.5864 461.2450 4.74_119.0490m/z 119.0490141 4.74 219.0522 250.5503 249.9356 262.7247 220.9051 235.8600 C8H8O2 Phenylacetic acid Phenylacetic acid 30745 HIGH 4.74_142.0701m/z 142.0701147 4.74 624.8644 570.8588 601.2178 588.6052 576.0753 575.6226 4.74_195.0628m/z 195.06282 4.74 2963.1301 2695.5651 2751.9411 2821.1559 2808.7482 2860.8254 C10H13NO4 3-Methoxytyrosine 3-Methoxytyrosine MEDIUM 4.74_196.1328m/z 196.1327719 4.74 330.7757 315.9280 312.0162 308.9448 308.3449 321.4358 4.74_312.1156m/z 312.1155768 4.74 2830.5965 2887.1458 2995.0985 3240.4665 2915.8036 3039.4793 4.74_344.2050m/z 344.2049852 4.74 3525.3740 3936.1147 3620.9063 3730.2083 3567.8335 3766.0860 4.74_408.7309m/z 408.7308556 4.74 242.6698 313.2130 255.6100 262.2037 274.2654 260.0374 4.74_564.1848m/z 564.1848499 4.74 29184.7641 33973.3101 31030.6144 31687.8428 31582.5288 31824.6412 4.76_235.1069m/z 235.1069248 4.76 6294.7901 6670.0842 6547.8486 6543.3267 6424.0910 6650.3076 4.76_237.0714m/z 237.0713634 4.76 5624.8983 5730.1230 5255.4288 5807.7623 5334.3169 5683.8887 C11H12N2O2S "(2E)-3-Benzyl-2-(nitromethylidene)-1,3-thiazolidine" MEDIUM 4.76_246.1698m/z 246.1697605 4.76 23920.3977 26595.3839 25898.0151 25538.1305 26351.3660 26097.9622 4.76_281.1123m/z 281.1122715 4.76 11835.9428 13716.9554 12660.5622 12939.2715 12798.5756 12945.2740 C13H16N2O5 Aspartyl-Phenylalanine Asp-Phe HMDB28760 MEDIUM 4.76_289.0891m/z 289.089124 4.76 10547.9142 12215.1044 11141.3848 11366.0588 11216.0694 11670.7806 4.77_169.0878m/z 169.0877796 4.77 59.0205 145.8617 98.7159 116.6628 103.7855 108.2351 4.77_342.2360m/z 342.2360015 4.77 842.5205 955.0591 908.3447 976.3859 885.7118 822.2869 4.78_110.0391n 111.0434257 4.78 750.7914 739.6892 740.6025 707.1146 742.2080 727.6700 4.78_166.1228m/z 166.1227627 4.78 1924.1479 2000.3679 2075.3493 2091.2516 1984.7329 2052.9320 4.78_381.0788m/z 381.0788314 4.78 5991.4104 6488.8738 6064.5157 6271.8155 6017.3170 6235.3119 4.78_443.0472m/z 443.047184 4.78 2383.7551 2274.6758 2359.9304 2259.0654 2334.6878 2252.7914 4.80_215.0862m/z 215.0862385 4.80 1295.2109 1319.4450 1274.3758 1304.2276 1289.2778 1320.9901 4.80_274.1737m/z 274.1737345 4.80 1006.6785 1040.4801 1120.1776 1047.2020 1111.5300 1061.3753 4.80_302.1950m/z 302.1949503 4.80 5380.1512 6122.0167 5710.8283 5759.6253 5654.4061 5709.1302 4.80_433.2093n 434.2165413 4.80 21289.8031 23866.4304 22721.8920 22912.3578 22927.0232 23280.9082 4.80_841.3837m/z 841.3837409 4.80 136.5221 264.2341 194.9695 194.8247 158.7222 245.4053 4.80_841.8850m/z 841.8850301 4.80 131.6857 155.1773 111.9077 143.9163 166.7504 152.8070 4.81_103.0441m/z 103.0441128 4.81 343.2789 389.7834 332.7196 346.0901 384.6335 372.0975 4.81_168.1123m/z 168.1123361 4.81 1599.5059 1803.2106 1684.7622 1640.8379 1660.9986 1662.0164 4.81_170.0623m/z 170.0623196 4.81 1335.1307 1458.8343 1370.3261 1370.3498 1397.3411 1412.1978 4.81_274.1026n 275.1098575 4.81 61302.1753 65885.5190 63399.8028 63909.2699 63591.0459 65289.7994 4.81_291.0756m/z 291.0755558 4.81 13285.0939 13011.5650 13286.4807 13374.0206 13454.5325 13891.3733 4.81_360.1989m/z 360.1988595 4.81 1159.0699 1403.2130 1309.2453 1270.1035 1333.1531 1379.2377 4.81_412.1956m/z 412.1955662 4.81 10813.5399 12972.1205 11643.4150 11966.1531 11762.1770 12132.9228 4.82_241.1035m/z 241.1035233 4.82 5045.4730 5058.4468 4870.5782 5052.0906 4802.4886 4969.7165 4.82_282.0106m/z 282.0105573 4.82 467.2402 443.0006 524.0749 492.0306 448.6072 522.0226 4.82_341.1738m/z 341.1737837 4.82 1278.7038 1292.9974 1378.1610 1314.8805 1344.3924 1267.4616 4.82_657.2752m/z 657.2752498 4.82 518.1370 636.3273 559.8454 529.7295 562.4859 602.5871 4.82_657.7783m/z 657.7783333 4.82 169.0758 203.0311 181.2328 154.2338 167.8631 202.8012 4.83_231.1152m/z 231.1152151 4.83 1778.0554 1808.8443 1721.3537 1725.4594 1699.7423 1816.8473 4.83_482.1632m/z 482.1632169 4.83 1877.8928 2193.1512 2061.4251 2046.4507 2039.3914 2083.0544 4.84_177.1025m/z 177.102468 4.84 264.8658 297.6750 299.1198 258.2493 256.1634 266.2941 4.84_201.0627m/z 201.0626561 4.84 4919.6986 6084.5127 4111.6018 4992.2825 4209.5530 4773.1027 4.84_213.1218m/z 213.1218084 4.84 1931.0098 1943.9095 1873.6573 1914.7907 1928.9839 1937.6053 C10H16N2O3 Butabarbital Butabarbital 3228 MEDIUM 4.84_227.1273m/z 227.1272797 4.84 1583.0850 1601.0457 1473.8727 1592.3534 1434.7009 1546.3521 4.84_268.0642m/z 268.064231 4.84 3910.6547 3815.5997 3801.8474 4008.4248 3771.1410 3961.8694 4.85_261.1327m/z 261.1326589 4.85 26318.5658 26071.1965 27383.1785 25722.6592 26352.6188 27041.2815 C11H18N4O2 Pirimicarb Pirimicarb 8248 HIGH 4.85_516.2047m/z 516.2046672 4.85 1226.4719 1599.7368 1335.6797 1348.7021 1365.7227 1329.4863 4.86_116.1073m/z 116.1072916 4.86 151.3759 144.2139 156.3896 138.6544 166.0512 145.5163 C6H10O "4-Methyl-3-penten-2-one, 9CI" MEDIUM 4.86_150.1279m/z 150.1278676 4.86 235.3063 232.6880 263.6073 245.4862 226.0516 239.4906 4.86_203.1516n 186.1482751 4.86 695.9029 831.5974 758.8149 771.6719 775.5197 771.4067 4.86_284.1857m/z 284.1857436 4.86 101822.2015 111685.6557 107710.8155 108382.4999 109375.8212 109259.6262 C20H28O2 9-cis-Retinoic acid 15367 MEDIUM 4.86_290.0341m/z 290.0341468 4.86 631.4468 610.9823 706.9351 615.9825 641.8821 576.1874 4.86_314.1870m/z 314.1869738 4.86 803.9412 913.9503 922.8771 845.3423 927.5191 865.1874 4.86_369.9900m/z 369.9900287 4.86 682.3904 715.7290 681.6958 752.2835 680.2925 696.4808 4.86_526.1885m/z 526.1884505 4.86 2310.2684 2738.0797 2471.0895 2395.6721 2569.8605 2494.5527 4.86_91.0546m/z 91.05459549 4.86 295.0988 316.6392 295.4291 317.5730 316.1010 296.8970 C7H8O p-Cresol P-Cresol 17847 MEDIUM 4.87_368.2267m/z 368.226692 4.87 694.8266 1006.4867 818.3704 803.0805 820.9266 821.1240 4.88_281.1486m/z 281.1485999 4.88 2380.7036 2797.7074 2579.4066 2500.3205 2534.1011 2600.7876 4.88_426.1163m/z 426.1162968 4.88 3385.3306 3790.8852 3519.0836 3576.2878 3470.3190 3558.8191 4.89_420.2001m/z 420.2001155 4.89 8138.8563 9753.2093 8751.0930 8851.2230 8776.0132 8927.5285 4.89_672.2755m/z 672.2754855 4.89 489.9663 660.3884 534.8776 555.2437 524.0470 551.5241 4.90_147.0449m/z 147.0449086 4.90 1024.1557 1193.6542 1138.2069 1173.4880 1143.4011 1178.3314 4.90_172.0745m/z 172.074528 4.90 135.9961 214.1440 82.5656 104.3775 133.6162 136.6451 C4H11O4P Diethylphosphate Diethylphosphate 38598 MEDIUM 4.90_243.1227m/z 243.1227395 4.90 5945.2430 6180.7862 5881.8060 5967.5573 5982.6093 6109.3001 4.90_316.1748m/z 316.1747596 4.90 19203.0150 23261.3895 20944.1975 20777.7874 21714.0793 20995.3679 4.90_353.0199m/z 353.0198606 4.90 1123.0432 1183.4277 1153.9929 1213.0551 1142.5583 1211.6443 4.91_111.0428m/z 111.0427819 4.91 520.6578 542.5299 548.7028 513.3611 502.7808 521.5467 4.91_125.0596m/z 125.0595951 4.91 1112.6225 1102.8056 1100.7808 1120.9856 1108.8928 1134.9909 C7H8O2 4-Methylcatechol 4-Methylcatechol HMDB00873 MEDIUM 4.91_135.0721n 153.055189 4.91 5195.1180 5549.4212 5250.3770 5383.9697 5323.1844 5360.7211 4.91_160.0738m/z 160.0738058 4.91 1049.7841 1180.3299 954.5214 1105.9713 937.6381 1078.5423 4.91_169.1332m/z 169.1332098 4.91 313.3039 391.5985 367.1013 357.3441 355.0453 368.7795 C9H13NO Phenylpropanolamine Phenylpropanolamine HMDB01942 HIGH 4.91_191.0020n 173.9987308 4.91 420.6105 369.2958 409.3204 437.1080 407.2351 375.8183 4.91_193.9893n 195.0658984 4.91 8274.9516 8086.3574 8036.9562 8129.4361 8083.9821 8194.9486 4.91_219.0596m/z 219.0596231 4.91 1685.8270 1732.8899 1639.7247 1730.0892 1670.7137 1709.5011 4.91_235.0280m/z 235.0280366 4.91 1854.2438 1840.4775 1803.5652 1882.4486 1895.2976 1972.4803 4.91_337.0531m/z 337.0531069 4.91 4403.6621 5073.1272 4577.3808 4663.1976 4683.2809 4790.0415 4.91_364.1530m/z 364.1530414 4.91 851.2447 852.3482 827.7750 847.9664 843.3691 818.5544 C20H23NO4 (S)-Isocorydine 561752 MEDIUM 4.91_93.0340m/z 93.03401045 4.91 342.1958 380.3000 329.4142 353.3701 349.3876 347.7713 4.92_144.0809m/z 144.0809254 4.92 4397.2065 5017.5374 4631.7866 4746.0849 4675.3275 4743.4338 C10H9N 2-Aminonaphthalene 2-aminonaphthalene 27878 MEDIUM 4.92_144.9925m/z 144.9924742 4.92 856.3738 680.3635 836.7516 827.0472 855.7789 873.2543 4.92_173.0626m/z 173.0625515 4.92 1696.8396 1775.6321 1747.3274 1737.6336 1699.5852 1758.7058 4.92_174.0911m/z 174.0911097 4.92 1786.9115 1794.0265 1780.4533 1848.1565 1849.1414 1793.4568 4.92_217.0966m/z 217.0966087 4.92 3926.6224 4190.2593 4024.1688 3992.8162 4079.7523 4042.2400 C12H9NO2 Dictamnine Dictamnine MEDIUM 4.93_132.1020m/z 132.1019519 4.93 1178.6705 1360.3345 1268.7284 1292.5262 1259.4433 1308.1571 C6H10O2 Gamma-Caprolactone HMDB03843 MEDIUM 4.93_188.5441m/z 188.544058 4.93 155.6774 160.7672 162.0391 151.4345 153.3792 166.8788 4.93_256.0153m/z 256.0152985 4.93 1531.9074 1658.1623 1584.2341 1666.8463 1554.8124 1572.5978 C9H7Cl2N5 Lamotrigine HMDB14695 HIGH 4.93_258.0119m/z 258.0118621 4.93 505.8790 572.8862 544.3815 548.3475 481.3599 511.1645 4.93_272.0558m/z 272.0557754 4.93 6688.4513 8156.4263 7209.1408 7296.3014 7465.5722 7527.6469 4.93_320.1223m/z 320.1222787 4.93 2872.0544 3069.8287 2872.2707 2964.8649 2909.0932 3058.7997 4.93_346.2194m/z 346.2193699 4.93 928.8769 1129.3087 936.1887 1018.9534 1069.8276 950.2960 4.93_357.6790m/z 357.679002 4.93 47.5527 72.4500 58.1335 61.4419 68.3361 92.3326 4.93_432.0478m/z 432.0478072 4.93 3373.8324 3931.2426 3587.1113 3601.6272 3597.8297 3705.1644 4.93_434.0439m/z 434.0439216 4.93 2028.1835 2349.0257 2123.5155 2120.7627 2135.1929 2180.6419 4.93_692.3703m/z 692.3703248 4.93 1821.0930 2459.0570 2051.8556 2105.3820 2144.0890 2099.9525 4.93_86.0969m/z 86.0969212 4.93 240.5949 255.9315 260.0216 245.2572 260.1857 264.9986 4.94_392.2139n 393.221959 4.94 7901.4676 9786.9062 8534.9739 8533.7080 8663.3693 8759.2277 4.94_447.1221m/z 447.122051 4.94 2646.4869 3014.6030 2758.1636 2773.9753 2736.2351 2745.3427 4.94_453.1549m/z 453.1548681 4.94 2936.1165 3398.5942 3004.2851 3078.5568 3058.3905 3125.1371 4.95_105.0342m/z 105.0341503 4.95 118.3343 151.9656 126.8922 124.9943 134.8100 125.2296 C7H6O2 Benzoic acid Benzoic acid 30746 HIGH 4.95_197.1281m/z 197.1281108 4.95 1951.5161 2136.6138 2055.7278 1977.7281 2023.8151 2109.7685 C10H13NO2 Phenacetin Phenacetin 8050 MEDIUM 4.95_207.0594m/z 207.059448 4.95 4333.9578 4912.1822 4472.9598 4592.7110 4564.7558 4681.7010 4.95_259.1136m/z 259.1135762 4.95 6426.0323 6914.1712 6572.9462 6750.9802 6818.3769 6873.8850 4.95_266.1383m/z 266.138349 4.95 20806.8852 23430.1958 22073.6534 22206.0070 22829.8909 22736.7623 4.95_357.1991m/z 357.1990975 4.95 2314.4088 2580.1580 2391.5707 2481.4146 2471.7614 2498.2576 4.95_392.0794m/z 392.0793846 4.95 15616.2483 17336.1577 16779.3999 16275.4298 16979.3553 16667.9970 4.95_85.0288m/z 85.02883705 4.95 386.8575 460.3651 424.5673 430.5473 446.5352 443.1116 4.96_188.0342m/z 188.0342278 4.96 2107.1140 2248.2322 2172.1840 2197.4533 2218.1241 2226.8667 4.96_239.0103n 222.0070211 4.96 2869.8555 2769.8519 2655.5123 2767.3660 2786.1619 2883.4592 4.96_258.1689m/z 258.1689486 4.96 398.1775 505.7910 473.0774 491.9877 474.9277 454.1336 4.96_304.1729m/z 304.1729419 4.96 2988.5679 3452.1236 3071.0447 3202.9168 3581.7820 2950.1900 4.96_342.2353m/z 342.2353293 4.96 1562.9806 1722.4689 1609.3780 1707.5330 1793.1229 1707.3805 C17H31N3O4 Ile-Pro-Ile HIGH 4.98_255.0843m/z 255.0842662 4.98 3301.4119 3519.9220 3475.5009 3447.7474 3495.5245 3507.1545 4.98_268.9978m/z 268.9978438 4.98 265.1677 256.0265 277.2661 244.7975 249.3989 252.8506 4.99_326.0876m/z 326.0875661 4.99 3111.4738 3628.5119 2932.9917 3305.9586 2969.7201 3236.8770 4.99_344.1980m/z 344.1980037 4.99 1089.7583 1320.4024 1042.6179 1236.1440 1042.2274 1143.3694 4.99_415.2105m/z 415.2104887 4.99 1373.2175 1537.6560 1425.5568 1343.7231 1440.9326 1383.5237 4.99_810.6337m/z 810.6337301 4.99 62.5635 177.6138 102.0361 107.2943 110.8972 123.7783 5.00_236.5404m/z 236.5404113 5.00 144.8209 184.9293 156.7008 147.8648 162.3667 157.7235 5.00_242.0826m/z 242.082645 5.00 2337.5315 2386.4503 2396.2651 2368.0212 2413.3870 2351.1851 C11H15NO3S Methiocarb sulfoxide MEDIUM 5.00_280.1894m/z 280.1893985 5.00 3239.8416 3614.6958 3388.4432 3498.4416 3372.3609 3344.3044 5.00_412.1064m/z 412.1063754 5.00 2113.8942 2334.5505 2170.3553 2188.1209 2160.4391 2199.3655 5.00_456.1112m/z 456.111205 5.00 4256.6033 5297.5361 4277.4499 4773.7831 4366.8936 4793.6700 5.01_123.0057m/z 123.0056562 5.01 289.7674 269.4786 261.9108 278.4983 279.1547 278.0096 5.01_145.0292m/z 145.0291752 5.01 579.6285 650.2524 573.2486 583.3673 567.3719 561.4707 5.01_177.0548m/z 177.0548111 5.01 4191.3507 4346.7120 4958.6291 4404.6028 4900.1988 4397.6183 5.01_235.1059m/z 235.1058715 5.01 3534.5990 3689.0147 3528.3351 3545.6061 3520.2843 3478.7597 C10H16N2O3 Butabarbital Butabarbital 3228 MEDIUM 5.01_281.1117m/z 281.111707 5.01 11617.7118 12631.2933 11658.8352 11793.2411 11971.1890 11785.6619 C13H16N2O5 Aspartyl-Phenylalanine Asp-Phe HMDB28760 MEDIUM 5.01_354.2367m/z 354.2366974 5.01 377.6804 394.3304 272.9305 312.5789 302.2979 297.5040 5.01_455.0496m/z 455.0496118 5.01 1749.7881 1726.0514 1714.8263 1685.1755 1756.0123 1671.5495 5.01_779.1256m/z 779.1256465 5.01 250.5236 440.4638 251.2983 283.0027 303.0554 265.2201 5.02_231.1167m/z 231.1166536 5.02 1765.5125 1721.9584 1731.8502 1739.1708 1734.6582 1734.0019 5.02_293.0938m/z 293.0938329 5.02 2121.5805 2230.3719 2174.9912 2152.3112 2164.4794 2221.7598 5.04_221.1253m/z 221.125287 5.04 1135.1406 1193.3817 1254.0292 1252.4236 1370.7198 1303.6594 5.04_305.1259n 306.1331563 5.04 31396.5422 36558.0678 35306.1784 35401.7823 35667.3237 37069.0357 5.04_450.2098m/z 450.2098325 5.04 742.5264 860.1678 900.7010 805.2741 917.3055 878.3525 5.04_456.2210m/z 456.2209648 5.04 3144.8280 4031.4201 3637.0026 3594.9552 3634.9082 3797.6591 5.04_549.7001m/z 549.7001432 5.04 175.5757 194.6912 204.3946 176.9748 198.7447 184.6852 5.04_768.3477m/z 768.3476562 5.04 234.7566 319.0104 209.6965 247.8003 255.8701 221.5186 5.04_95.0089m/z 95.00890179 5.04 860.1030 705.6276 762.9350 763.7053 787.9049 773.6012 C5H5NO2 Pyrrole-2-carboxylic acid Pyrrole-2-carboxylic acid HMDB04230 MEDIUM 5.05_136.0593m/z 136.0593441 5.05 3997.8877 3997.6823 4084.0398 4028.1352 4109.0709 4117.6549 5.05_230.0532m/z 230.0531869 5.05 4477.5891 4749.7064 4796.9188 4667.8762 4738.2353 4840.5533 5.05_246.0182m/z 246.018158 5.05 550.4433 580.4872 616.3718 598.8322 594.8972 627.2527 5.05_320.0595m/z 320.0594754 5.05 1459.1199 1587.5071 1473.4843 1437.7672 1430.5668 1462.7480 5.06_144.1285n 167.0683122 5.06 1689.7683 1909.7707 1674.6547 1745.8046 1739.9093 1805.7015 5.06_268.0904n 251.087149 5.06 13627.0298 17659.3992 11714.2285 16322.5669 11777.2533 14394.3865 5.06_276.1787m/z 276.1786647 5.06 1749.9773 1951.1909 1986.6542 1952.7744 2013.3929 2066.4127 5.06_300.1255n 323.1189717 5.06 4332.5900 4667.7318 4367.4023 4499.4600 4343.7429 4508.6529 5.06_310.1639m/z 310.1639098 5.06 9438.1602 11048.6691 10380.4443 10501.4203 10552.9634 10738.0200 C20H23NS Metixene 51024 MEDIUM 5.06_343.0992m/z 343.099162 5.06 6498.7507 7423.2761 6863.3592 7002.4278 7036.1740 7214.5309 5.06_679.1701m/z 679.1700696 5.06 960.3490 1263.7062 876.7368 1090.9807 908.2374 1048.9300 5.07_326.9842m/z 326.9841994 5.07 675.1907 788.6023 685.9705 724.0179 721.7317 718.1405 5.07_333.0010m/z 333.0010324 5.07 974.6773 1062.3668 1021.3036 949.7007 1079.0581 1062.3119 5.08_166.0633n 149.0600465 5.08 4114.8531 4400.8775 4261.9361 4192.8734 4271.3738 4316.1285 5.08_307.0450m/z 307.0450182 5.08 1143.2670 1025.4611 1087.5095 1077.2960 1050.5810 1088.9310 5.08_329.1590n 352.1443606 5.08 5600.4781 5295.9639 5128.8260 5515.9335 5161.5696 5256.8497 5.09_115.0547m/z 115.0547251 5.09 876.0193 950.9424 888.6088 904.1427 849.9739 897.8803 C9H8O Cinnamaldehyde Cinnamaldehyde 16731 MEDIUM 5.09_115.1000n 116.1070854 5.09 434.2916 498.9696 465.0577 478.3661 454.1186 493.0397 5.09_191.0711m/z 191.0711134 5.09 6115.8423 6199.7026 5902.4488 6106.7019 5941.4104 6110.4720 5.09_268.1554m/z 268.1553799 5.09 253173.9025 267179.2253 267892.7917 276184.0404 274561.3102 280341.8690 C14H21NO4 Diethofencarb 4520 MEDIUM 5.09_268.2878m/z 268.2878319 5.09 7864.3211 9020.4984 8420.3139 8812.3287 8682.2648 8436.5430 5.09_268.6017m/z 268.6016501 5.09 1950.9138 2220.1103 2073.8703 2156.6401 2090.1701 2187.5785 5.09_284.5225m/z 284.5224911 5.09 152.3812 122.6963 120.9702 150.1684 129.3065 136.7269 5.09_290.1915m/z 290.1914647 5.09 1263.0264 1203.2975 1233.6654 1315.3779 1220.8728 1296.7456 5.09_290.9899m/z 290.9899192 5.09 1231.2334 939.6237 1000.0561 964.6240 1071.7401 1027.9675 5.09_332.1756m/z 332.1756251 5.09 957.9456 1008.5628 955.3223 1001.5430 945.8110 962.2081 5.09_351.0344m/z 351.0344065 5.09 3048.1901 2917.0560 2962.8771 3095.0833 2937.8538 3025.1006 5.09_357.0541m/z 357.0541317 5.09 3959.6437 3911.4052 3996.2104 4031.1408 4012.8978 4055.4230 5.09_538.1208m/z 538.1208093 5.09 1277.1824 1295.3474 1176.5845 1211.2013 1175.0399 1248.3084 5.09_662.0972n 663.1044796 5.09 9586.0883 10048.0294 9396.8802 9776.1593 9417.2138 9585.8127 5.09_739.3073m/z 739.3073064 5.09 703.0279 879.9856 757.5802 739.9626 812.2257 794.6300 5.10_166.0324m/z 166.0324162 5.10 3180.6886 3521.7389 3275.9310 3319.7906 3239.6459 3309.2092 5.10_182.0289m/z 182.0289354 5.10 500.4178 500.2680 562.8073 437.0512 515.2639 498.1774 5.10_187.1067m/z 187.1067413 5.10 509.6150 501.7642 525.5940 542.2423 511.9108 543.3784 5.10_224.0651n 208.0424868 5.10 7399.0863 7990.9519 7811.6754 7778.5008 8109.0740 8069.0769 5.10_253.0655m/z 253.0654878 5.10 3669.4250 3483.1842 3529.3075 3606.7210 3540.0325 3599.1222 5.10_312.0787n 313.0852237 5.10 29029.7574 32730.3939 30158.6795 31436.3221 30777.2447 31520.9403 5.10_320.1456m/z 320.1456071 5.10 2887.2874 3056.3740 2976.4044 3019.2970 3002.4505 2995.6891 5.10_325.0312n 326.0385155 5.10 10615.6916 11429.6503 10962.4874 10695.5052 10841.6808 11757.6178 5.10_351.5330m/z 351.532955 5.10 41.9634 60.3541 31.7414 34.6066 35.5083 48.7589 5.10_400.0562n 383.0815593 5.10 55198.7622 48286.6402 51837.8326 53667.7076 51976.8008 52872.8669 5.10_464.0320m/z 464.0320266 5.10 2735.9733 2496.1031 2593.6881 2619.6974 2591.6856 2638.6785 5.10_494.0431m/z 494.0431383 5.10 4969.3365 4414.6274 4523.7050 4618.1724 4458.3012 4599.3167 5.10_496.0359n 514.1169275 5.10 5221.1706 5291.2869 5189.9069 5213.3533 5128.7282 5220.8407 5.10_530.0896m/z 530.0895586 5.10 8781.2281 8557.0305 8662.1218 8742.8450 8685.2417 8919.8987 5.10_546.0636m/z 546.0635787 5.10 2026.5140 1988.5474 2031.6991 1944.6282 2029.4612 2042.8610 5.10_554.0758m/z 554.075781 5.10 1690.5038 1654.6155 1650.7942 1672.1799 1659.7906 1737.1350 5.10_568.1083n 591.0929314 5.10 24798.4562 22090.4598 22985.3062 23541.3998 22911.4825 23331.0188 5.10_601.0811m/z 601.0810534 5.10 6562.9199 5907.1021 6336.6007 6354.5597 6203.7660 6375.1698 5.10_627.0876m/z 627.087644 5.10 5781.9676 6055.8580 5683.2982 6037.4712 5778.9260 5896.8401 5.10_647.1187m/z 647.118749 5.10 2313.1867 2535.1631 2193.1878 2392.1874 2200.5162 2339.1022 5.10_673.0988m/z 673.0988212 5.10 2590.4142 2397.8349 2420.1994 2455.7338 2381.1999 2466.3780 5.10_691.1022m/z 691.1021682 5.10 2641.1001 2691.5897 2538.3977 2731.7987 2466.3877 2577.9941 5.10_860.0887m/z 860.0886863 5.10 3448.9191 3198.3244 3145.4943 3369.4967 3203.1721 3300.9048 5.10_867.0914m/z 867.0914283 5.10 2571.9414 2660.9293 2434.6186 2579.1041 2482.6762 2552.2650 5.10_905.0839m/z 905.0839492 5.10 2622.9914 2379.9877 2458.6366 2498.8353 2346.9554 2341.7074 5.10_926.0995n 909.0961741 5.10 4716.4320 4485.2337 4166.8422 4577.9134 4130.7238 4412.8384 5.10_957.0860m/z 957.0860245 5.10 1878.7440 1766.8670 1792.9416 1790.1351 1714.7642 1668.9431 5.11_211.0834m/z 211.0833737 5.11 3301.6421 3324.4775 3088.8611 3369.9384 3126.9401 3312.0669 5.11_250.1797m/z 250.1796573 5.11 7720.6824 8268.9814 7940.1689 8367.9658 8079.2480 8302.3323 C15H23NO2 3-tert-Butylphenyl sec-butylcarbamate MEDIUM 5.11_280.1531m/z 280.1530533 5.11 1643.0917 1805.7208 1694.8947 1797.3481 1764.1353 1756.1086 C15H21NO4 (ñ)-Metalaxyl 6790 MEDIUM 5.11_335.0664m/z 335.0663638 5.11 45327.2591 47256.7289 46514.8795 47763.6156 47290.9916 48703.4072 5.11_367.5568m/z 367.5567747 5.11 101.3990 53.3770 52.8670 74.1347 74.8905 84.2973 5.11_374.5517m/z 374.5517315 5.11 159.0071 132.5230 120.5764 157.8249 132.6251 131.0588 5.11_381.5333m/z 381.5332676 5.11 204.3325 186.6019 184.5062 196.9202 186.6235 200.3215 5.11_875.0811m/z 875.0810598 5.11 2647.4314 2603.0310 2388.7685 2471.2717 2436.5378 2546.2247 5.11_930.0880n 913.0846695 5.11 10761.0426 9955.6281 9877.4469 10340.5224 10019.8767 10038.5840 5.12_109.0653m/z 109.0652815 5.12 4546.6395 4415.2397 4539.3068 4574.4245 4457.5662 4471.9790 C7H8O p-Cresol P-Cresol 17847 MEDIUM 5.12_373.0569m/z 373.0569348 5.12 4979.0806 4981.0697 4814.5519 4961.4803 4791.9321 4912.2672 5.12_382.5545m/z 382.5545339 5.12 194.9674 137.2730 136.4364 157.4681 145.6216 158.3389 5.12_407.1062m/z 407.1062432 5.12 4893.2877 5265.1551 4818.7813 5043.1223 4850.3870 4970.1502 5.12_475.5559m/z 475.5559041 5.12 119.8814 144.1363 126.1052 116.7816 126.1593 103.5508 5.12_494.5392m/z 494.5392088 5.12 136.4202 143.7544 142.8143 133.9791 118.9705 88.9545 5.12_639.1285n 640.052738 5.12 5213.8179 4742.5393 4690.1448 5080.3021 4673.9513 4910.0837 5.12_650.5831n 634.5604702 5.12 1654.2708 1119.0466 1355.6309 1516.3625 1321.0527 1312.6344 5.12_703.1006m/z 703.1006444 5.12 1204.0429 1142.6094 1121.6849 1221.3414 1133.9213 1184.3979 5.12_820.1252n 821.1192796 5.12 3672.2257 3263.5518 3289.2774 3496.9606 3377.0658 3365.7342 5.12_889.0873m/z 889.0872777 5.12 7102.8610 6785.6235 6875.2869 6921.9741 6510.3227 6742.0275 5.12_94.0424n 77.03911004 5.12 4811.5646 4637.9135 4797.7309 4785.9478 4717.5378 4797.8780 C6H6O Phenol Phenol 15882 MEDIUM 5.12_980.0918n 963.0884659 5.12 3073.6513 3024.0756 2573.0505 2947.3274 2839.1753 2726.6520 5.13_105.0341m/z 105.034136 5.13 30046.1665 27071.6589 29212.0951 29374.4743 29177.2022 29039.9891 C7H6O2 Benzoic acid Benzoic acid 30746 HIGH 5.13_107.0485m/z 107.0484529 5.13 1267.7011 1071.3763 1183.9951 1186.0788 1164.1802 1190.6200 C7H8O2 4-Methylcatechol 4-Methylcatechol HMDB00873 HIGH 5.13_315.0238m/z 315.0238375 5.13 1521.1752 1188.4350 1487.5746 1409.4890 1463.2867 1510.4560 5.13_329.2060m/z 329.2059585 5.13 7613.9565 8408.9295 7697.8636 8028.5011 8024.4452 7886.9152 5.13_350.1633m/z 350.1633024 5.13 516.6239 546.9737 509.1103 522.1049 517.9897 531.5756 5.13_357.5029m/z 357.5028893 5.13 150.1196 168.1648 176.0487 155.8368 156.7446 154.4308 5.13_396.5609n 419.5600299 5.13 619.6387 552.3505 587.3100 615.7733 551.8325 545.7597 5.13_402.5545m/z 402.5545262 5.13 62.4674 56.4718 54.7514 62.5337 70.4150 39.8120 5.13_411.5601m/z 411.5600507 5.13 110.6434 81.3059 92.5708 72.5296 67.9650 96.4926 5.13_425.0376m/z 425.037643 5.13 8707.1359 8005.8432 7695.7501 8322.0361 7466.3721 8158.3407 5.13_432.0215m/z 432.0215265 5.13 914.0501 823.7425 841.6914 871.7391 827.8692 868.5945 5.13_440.5385n 424.530972 5.13 840.1726 559.7653 728.2708 685.1806 693.2158 716.9907 5.13_445.0158m/z 445.0157892 5.13 958.3515 901.2728 857.9083 917.1054 816.5813 964.1019 5.13_490.5669m/z 490.5668958 5.13 304.2728 240.2043 267.1818 262.2391 292.7998 277.2147 5.13_498.5773m/z 498.5773352 5.13 1314.7127 935.9050 1117.1002 1205.6957 1232.5834 1192.9135 5.13_521.5488m/z 521.5487828 5.13 533.0658 352.5606 392.1183 481.4321 476.5336 448.6813 5.13_524.5539m/z 524.5538956 5.13 756.1026 529.1530 629.9871 674.7498 585.9051 718.4967 5.13_529.5788n 513.5562436 5.13 1092.9953 787.3751 961.6731 1022.3885 958.1733 1023.6174 5.13_553.5585n 536.5551858 5.13 514.3012 349.9190 444.1721 429.5813 418.1948 469.3337 5.13_557.5592n 540.5559447 5.13 314.0309 231.6053 297.4791 328.5764 326.2569 278.7298 5.13_560.1496m/z 560.1496452 5.13 10709.7138 9518.8142 10166.0626 10451.8003 10041.8318 10186.2904 5.13_569.5441m/z 569.5440681 5.13 190.9032 131.4884 145.9684 175.4818 148.1280 194.7637 5.13_576.1283m/z 576.1283463 5.13 160961.9921 140185.5239 152878.2572 158734.6861 153666.7167 155425.3240 5.13_582.5653n 605.5762988 5.13 387.9887 256.5911 310.6508 290.6408 274.5920 298.2956 5.13_602.5513n 620.5850885 5.13 1722.2913 1223.8503 1459.7546 1665.3250 1462.4767 1677.0004 5.13_610.5720m/z 610.5719763 5.13 368.1030 242.2433 283.5026 388.5730 327.9156 316.4390 5.13_612.5881n 613.5736906 5.13 1316.3163 898.5654 1104.9284 1228.0092 1141.7020 1149.3689 5.13_624.5765n 607.5731757 5.13 626.9091 468.2342 439.7719 543.9915 509.9608 478.0391 5.13_630.0496m/z 630.0495929 5.13 5322.9039 4651.6754 4876.4046 5104.6720 4926.2305 5103.6782 5.13_638.0464m/z 638.0464055 5.13 4925.1360 4548.2198 4514.8782 4714.3843 4630.3186 4762.0447 5.13_661.0707m/z 661.0707437 5.13 1880.1240 1771.0977 1752.2507 1880.0263 1834.4536 1852.6956 5.13_663.0706n 646.0673375 5.13 6759.1472 6193.7827 6549.7681 6492.5936 6532.0577 6436.0433 5.13_670.5566m/z 670.5566249 5.13 222.7583 113.4514 195.3808 206.8490 146.7271 143.9437 5.13_673.5636m/z 673.5635566 5.13 319.8257 166.6397 182.2146 234.3490 220.4053 276.4244 5.13_710.5763n 733.5752714 5.13 1333.7997 951.8650 989.6956 1209.7164 997.8891 1003.4183 5.13_737.5993n 720.5960322 5.13 918.1664 599.2848 758.5254 785.8768 805.6253 802.5702 5.13_740.5862n 723.5829027 5.13 2194.7029 1417.5769 1774.0914 2011.0202 1907.2691 2101.5316 5.13_79.0547m/z 79.05474879 5.13 306.6354 275.6263 285.8758 277.3518 283.8300 285.4863 C6H6 Benzene Benzene 16716 MEDIUM 5.13_796.1199n 779.1166318 5.13 4414.4492 4030.0228 3925.2128 4207.6740 3979.7229 4002.2168 5.13_808.0974m/z 808.0974055 5.13 3446.5862 3066.0371 3201.1766 3310.6332 3281.7076 3161.1975 5.13_814.6036m/z 814.603614 5.13 292.9494 190.2869 197.8277 215.7141 135.0005 211.3429 5.13_856.0559n 879.089254 5.13 6491.2182 6565.9694 6124.7424 6413.4332 6093.9938 6388.2410 5.13_917.1074n 901.0848628 5.13 5666.1291 5230.5341 4975.5760 5462.5312 5071.7146 5384.6776 5.13_93.0702m/z 93.07017184 5.13 233.7690 222.1676 216.7338 239.7040 226.7495 247.0973 C7H8 Toluene Toluene 17578 MEDIUM 5.13_94.0417m/z 94.04174942 5.13 1153.0241 1088.7515 1153.0900 1161.7376 1141.1341 1140.7344 5.14_202.0475m/z 202.0475186 5.14 76228.7869 64910.1854 71523.5302 73526.4775 71540.1017 72769.9767 C9H9NO3 Hippuric acid Hippuric acid HMDB00714 HIGH 5.14_202.1630m/z 202.1629646 5.14 489.7385 353.2012 388.4126 390.0009 294.4470 301.8677 5.14_292.5236m/z 292.5235762 5.14 585.1393 429.3462 470.9387 519.0889 500.4413 518.5828 5.14_315.5257m/z 315.5256905 5.14 669.4752 495.3621 582.9018 561.7747 587.5406 568.7698 5.14_327.0426n 310.0393462 5.14 4231.1930 3856.5754 3857.0516 4085.0328 3948.6740 3989.1013 5.14_331.5510m/z 331.550998 5.14 115.1581 116.5059 122.3742 123.2023 111.3204 114.9123 5.14_369.1044n 370.0592226 5.14 12846.2982 11808.6270 12054.2273 12525.2675 12178.2529 12429.1171 5.14_377.0487m/z 377.0486816 5.14 3439.6200 3329.1995 3157.0163 3409.1946 3170.9346 3290.1374 5.14_381.0888m/z 381.0887621 5.14 20998.1525 20290.8306 20668.7364 21448.8803 20755.1207 21128.0768 5.14_389.5690n 390.5762821 5.14 720.5109 562.2459 622.8091 667.0981 603.0124 631.3297 5.14_397.0697m/z 397.0696741 5.14 174554.5803 151472.8157 165530.6372 171484.0830 167091.3238 170222.4402 5.14_404.5517m/z 404.5516852 5.14 2489.6737 1848.7480 2106.3910 2154.6794 2110.6095 2165.3129 5.14_413.0420m/z 413.0419593 5.14 28502.8900 25197.5454 26710.1107 27521.4555 26831.2901 27271.9456 5.14_420.0901n 403.086847 5.14 30138.1567 26585.9394 27933.3478 29163.7280 28028.6342 28680.4704 5.14_426.0988m/z 426.0987814 5.14 14167.4871 15594.1981 14356.7316 15096.0540 14812.2856 14803.9430 5.14_444.5409n 428.5282562 5.14 957.8750 693.8594 809.9092 819.9779 828.2085 879.3628 5.14_447.5365m/z 447.5365417 5.14 108.0237 82.6387 101.6495 110.6435 100.1734 68.2876 5.14_449.5251n 432.5217654 5.14 503.9479 314.4514 440.3545 368.0784 419.8852 392.0786 5.14_452.5267n 436.5174429 5.14 814.6597 554.7297 604.7235 570.4985 628.3029 538.8118 5.14_516.5628m/z 516.5627602 5.14 1193.6096 745.1597 948.5157 1053.5157 1040.7690 1070.8220 5.14_527.5657n 528.5503495 5.14 1637.7259 1095.1114 1326.6150 1572.6565 1338.0568 1491.8839 5.14_580.1221m/z 580.1220621 5.14 5606.9370 5102.0817 5081.7549 5447.2936 5199.9154 5288.6847 5.14_589.0991m/z 589.0991072 5.14 2005.8965 1890.6029 1849.5900 1975.4754 1929.4198 1920.4747 5.14_629.5668m/z 629.5667715 5.14 861.9774 565.7630 674.0582 726.3967 719.9315 786.7223 5.14_644.5656m/z 644.5655711 5.14 272.5611 179.8425 239.8513 218.9547 275.1446 286.5826 5.14_663.5612m/z 663.5611541 5.14 253.6811 169.8885 124.4476 197.6459 138.9380 195.1432 5.14_677.5604m/z 677.5603745 5.14 210.0269 130.7871 172.3702 213.5163 192.0349 245.7919 5.14_714.5909m/z 714.5909149 5.14 513.1614 340.9558 371.6271 361.5352 412.2782 421.7462 5.14_717.5891m/z 717.5890982 5.14 710.0513 440.6554 580.9413 694.6343 521.9437 571.3520 5.14_785.1402m/z 785.1401846 5.14 1430.4078 1256.2990 1231.8392 1361.2389 1284.6814 1296.2564 5.14_839.0856m/z 839.0856228 5.14 8637.9934 8067.4566 7810.3760 8136.6773 7873.5927 8013.1435 5.15_185.0712m/z 185.0711555 5.15 667.3435 690.4013 630.5745 650.4944 660.3104 670.7904 5.15_256.1147m/z 256.1146987 5.15 188.9132 186.3531 244.6536 191.0592 209.3904 184.3884 5.15_300.5461m/z 300.5461189 5.15 969.2715 688.8026 800.4762 902.1255 855.9600 916.7470 5.15_371.1658m/z 371.1658011 5.15 359.4057 421.0381 346.1572 365.4763 379.3403 371.3357 5.15_444.1844m/z 444.1844343 5.15 5596.3091 6556.2407 5659.3883 5928.7115 5862.5556 5951.8773 C25H32O8 Aurovertin B MEDIUM 5.15_457.0335m/z 457.0335078 5.15 923.1002 937.6614 897.6557 903.8459 866.8380 888.9333 5.15_505.5702m/z 505.5702328 5.15 1107.6255 795.4737 978.6003 1070.4744 946.8576 1034.5815 5.15_614.0750m/z 614.0750261 5.15 14507.4413 11107.4792 12792.6655 13638.7446 13049.3693 13316.2682 5.15_616.2405m/z 616.2404531 5.15 4333.1904 5147.1136 4390.3629 4610.7439 4444.8671 4539.6523 5.15_619.0844n 620.0916843 5.15 23171.0520 21352.2943 21547.7965 22641.3882 21789.1099 22446.5357 5.16_118.0662m/z 118.0661595 5.16 1077.7073 956.5494 1019.5587 1006.2456 961.6538 1017.4893 C8H7N Benzeneacetonitrile 25979 MEDIUM 5.16_208.0049m/z 208.004857 5.16 801.9981 601.0575 688.2962 679.9963 679.7717 742.3389 5.16_220.0275m/z 220.0274929 5.16 8777.8380 7392.1002 8092.9213 8253.0320 8122.7609 8239.4453 5.16_224.0291m/z 224.0291446 5.16 5736.4172 4338.9295 4991.9761 5103.6296 4944.0766 5146.0996 5.16_314.1949m/z 314.194854 5.16 704.1201 852.3892 663.1062 802.0579 703.7210 779.7329 C21H30O3 Cannabielsoin HIGH 5.16_408.5550m/z 408.5550442 5.16 203.0878 161.8796 127.2043 127.4556 143.0007 150.8841 5.16_416.5421m/z 416.5420966 5.16 764.8416 535.4567 633.4005 633.1470 651.7192 643.1719 5.16_598.1028m/z 598.1028118 5.16 5888.8617 4960.4178 5336.7589 5696.2531 5342.5096 5485.5523 5.16_830.0830n 831.090291 5.16 10309.8621 9659.6990 9673.4638 10161.6244 9503.7441 9791.3999 5.16_831.1357n 815.1131518 5.16 8222.9832 7699.7298 7486.8149 7822.1045 7360.8184 7503.0076 5.17_191.0258n 174.0225598 5.17 11133.4028 9678.4717 10141.3648 10493.1501 10059.0714 10453.7267 5.17_287.9857m/z 287.9856894 5.17 1310.8656 1098.7900 1278.8710 1369.8374 1271.8283 1384.1941 5.17_439.1180m/z 439.117975 5.17 1772.1920 1885.8696 1762.7944 1842.5054 1796.8484 1854.0660 5.17_617.5818m/z 617.5818416 5.17 541.9635 382.7672 445.2284 451.1501 499.7343 498.7899 5.17_728.0897m/z 728.0897279 5.17 5843.5169 5808.3348 5591.9325 5882.5468 5660.1839 5794.2854 5.17_925.4435m/z 925.443479 5.17 267.7675 407.1681 324.4653 311.1036 396.0605 334.7315 5.18_105.0693m/z 105.0692729 5.18 149.4593 188.6820 185.6646 173.4695 142.1233 150.5488 C8H10O "2,6-Dimethylphenol" MEDIUM 5.18_218.0124m/z 218.0124043 5.18 26237.9495 21232.6289 23804.3969 24564.3943 24060.6394 24548.7252 5.18_241.1038m/z 241.1037882 5.18 1873.2838 1865.6978 1705.5035 1852.9503 1752.7436 1868.1483 5.18_248.0405m/z 248.040474 5.18 23046.7299 33041.9889 19932.4609 27668.4551 20818.9882 26960.9794 5.18_295.9902n 279.9901256 5.18 3268.1222 2610.1646 2901.5044 2871.2130 2850.7460 2813.8109 5.18_307.5403m/z 307.5402588 5.18 117.1313 100.7826 89.4691 144.9022 112.9595 124.1444 5.18_317.1182m/z 317.1181832 5.18 1861.3306 2001.9128 1843.5256 1955.9820 1913.6243 2010.7809 5.18_353.1689m/z 353.1688699 5.18 780.1885 945.5420 760.4633 828.7533 795.2050 813.5828 5.18_419.2481m/z 419.2481255 5.18 927.2166 1147.9368 988.6897 1037.8930 1015.8984 953.7065 5.18_510.1949m/z 510.1948605 5.18 1999.0943 2308.5873 2051.1404 2215.1335 2080.9927 2194.0392 5.18_707.5729m/z 707.5729242 5.18 816.1908 782.2648 838.3115 790.1020 839.2127 764.6019 5.18_707.8224m/z 707.8223579 5.18 99.5137 199.8700 143.6522 119.9936 92.4831 141.0896 5.18_717.0931m/z 717.093098 5.18 2878.6959 3060.5923 2844.7612 2903.6090 2806.1080 2791.0425 5.18_755.1556m/z 755.1555678 5.18 2170.1149 2354.2845 2324.2529 2353.5978 2286.0506 2275.5542 5.18_793.1161m/z 793.1160554 5.18 1923.7597 1943.2122 1836.6159 1856.6961 1818.3558 1946.3951 5.18_799.1203m/z 799.1202702 5.18 2807.4747 2651.2498 2538.8201 2665.4506 2532.8912 2618.9528 5.18_829.0934m/z 829.0934171 5.18 1646.9126 1519.5064 1479.2227 1497.1050 1513.7744 1504.6141 5.18_972.0991m/z 972.0990562 5.18 2259.9550 2144.1432 2014.0454 2243.6639 2200.3685 1894.1089 5.18_987.0997m/z 987.0996956 5.18 1245.0693 1142.5850 1097.2039 1331.6580 1106.1083 1253.9034 5.18_993.0999m/z 993.09987 5.18 1291.6448 1288.5775 1225.2290 1280.7181 1117.4742 1177.9385 5.19_111.0439m/z 111.0439483 5.19 270.5916 243.6228 238.9018 249.0234 263.2729 255.3423 C6H6O2 Hydroquinone Hydroquinone 17594 MEDIUM 5.19_318.1903m/z 318.1903259 5.19 5026.7594 5698.6324 5058.6129 5466.3807 5307.0124 5411.7089 5.19_348.2364m/z 348.236417 5.19 276.1882 331.6825 304.3205 289.0480 294.9065 298.1118 5.19_495.1647m/z 495.1646794 5.19 3472.2296 3400.9469 3673.7651 3540.7238 3707.3575 3527.9773 5.19_701.0926m/z 701.0925834 5.19 1720.9211 1760.7042 1728.1862 1844.5662 1719.5529 1747.0442 5.19_739.1163m/z 739.1163212 5.19 1752.6927 1769.5051 1728.7693 1808.5248 1796.3399 1820.3110 5.19_771.1003m/z 771.1003189 5.19 2655.4867 2621.5352 2502.1315 2573.2449 2504.8848 2569.7219 5.19_825.0981m/z 825.0980781 5.19 3115.1414 2754.7627 2910.2688 3031.8643 2913.8218 2821.6899 5.19_943.0918m/z 943.0918065 5.19 1686.8525 1741.0124 1566.6567 1675.5727 1630.2848 1589.0421 5.20_144.0446m/z 144.0445659 5.20 4019.4088 4426.9442 4224.9744 4277.3425 4234.4062 4388.3359 5.20_176.0710m/z 176.070976 5.20 6494.3043 7053.8304 6576.6014 6842.7508 6704.1379 6778.1542 C10H11NO3 2-Methylhippuric acid 2-Methylhippuric acid HMDB11723 HIGH 5.20_180.0113m/z 180.0113136 5.20 480.7069 480.9042 435.4006 453.4592 417.9631 444.9599 5.20_189.0430n 190.050244 5.20 52102.9583 56858.4539 54262.3946 55581.9771 55024.3712 55907.0252 C10H7NO3 Kynurenic acid Kynurenic acid HMDB00715 HIGH 5.20_204.0636m/z 204.0636316 5.20 1697.9558 1654.5914 1695.3402 1710.6651 1749.8294 1709.1947 5.20_246.0657n 230.0430814 5.20 5252.7554 5256.6376 5013.0477 5379.1302 4992.4384 5262.2925 5.20_264.0256m/z 264.0255569 5.20 3360.4423 3038.5492 3146.3887 3201.2856 3096.7171 3234.7172 5.20_291.1430m/z 291.1430394 5.20 6127.9079 6610.1336 5850.4564 6534.3263 5877.0704 6342.6105 5.20_523.0736m/z 523.0735737 5.20 7565.2819 7743.6337 7568.3440 7776.5400 7561.8110 7606.2871 5.20_528.0764m/z 528.0763617 5.20 3244.5200 3276.1475 3163.2378 3340.2819 3258.3771 3267.9219 5.20_573.1326m/z 573.1326475 5.20 1833.6844 1967.4420 1854.6220 1959.2193 1874.6794 1902.6454 5.20_586.1119m/z 586.1118955 5.20 1535.4365 1686.2132 1568.4078 1684.1979 1628.2929 1642.5527 5.20_603.2633m/z 603.2633119 5.20 531.5534 694.1539 542.4224 563.1137 525.3495 579.4994 5.20_698.0881m/z 698.0880702 5.20 2693.2338 2881.7927 2656.9811 2825.7122 2623.5795 2689.3755 5.20_707.1240m/z 707.1239974 5.20 1109.2585 1172.2653 1133.6307 1168.8472 1174.3255 1088.0500 5.21_120.0447m/z 120.0447471 5.21 125.2231 136.4645 132.6498 130.1061 119.7145 131.5045 C7H7NO2 2-Aminobenzoic acid 2-Aminobenzoic acid 30754 MEDIUM 5.21_137.1048m/z 137.1048446 5.21 174.0250 183.9487 169.6493 185.0218 204.1860 194.5539 5.21_199.0572m/z 199.057193 5.21 1654.3597 1557.6246 1653.4281 1591.9643 1631.8107 1593.1473 5.21_246.0068m/z 246.0068403 5.21 741.0801 680.3774 671.4868 683.9326 697.9150 644.9724 5.21_418.1207m/z 418.1207486 5.21 1258.3126 1412.3505 1308.2033 1385.9209 1291.0252 1313.0189 5.22_144.1298n 145.133766 5.22 248.4028 226.3392 244.6692 235.7888 261.4967 237.5697 5.22_176.1535n 160.0734358 5.22 3272.1893 3188.0616 3067.2009 3242.0846 3099.4387 3188.6229 5.22_200.1521n 223.1412533 5.22 4660.1920 4619.1245 4582.5691 4652.5639 4635.0614 4623.7357 5.22_202.1330m/z 202.132979 5.22 383.6248 378.0720 393.1854 415.3855 422.3916 422.3064 C12H12N2 Benzidine MEDIUM 5.22_267.0412m/z 267.0412201 5.22 600.0772 557.7634 612.0619 592.0741 578.3041 584.9597 5.22_314.5422m/z 314.542213 5.22 82.9608 61.7678 107.9341 119.6418 69.5651 74.4539 5.22_360.1995m/z 360.199549 5.22 508.3905 630.2363 611.9265 612.1143 642.5359 580.7716 5.22_371.2270m/z 371.226956 5.22 166.1657 189.8912 159.4515 170.0593 159.2593 162.2864 5.22_86.0969m/z 86.09689586 5.22 150.3715 157.9515 179.0650 162.1381 179.6657 166.9173 5.23_143.0726m/z 143.0726239 5.23 588.6341 657.6427 612.7756 652.4462 617.2442 618.6522 5.23_231.1120m/z 231.1120005 5.23 2677.9509 2736.4397 2689.5812 2847.6446 2731.2348 2743.6848 C13H16N2O3 6-Hydroxymelatonin HMDB04081 HIGH 5.23_304.0489m/z 304.0488817 5.23 584.0106 618.4254 567.8759 639.6029 605.7094 600.8330 5.25_115.0750m/z 115.0750202 5.25 1448.4324 1519.6054 1497.9712 1489.5486 1496.7261 1540.6815 5.25_295.1276m/z 295.1276009 5.25 8695.3612 10066.7087 9252.5350 9374.0074 9500.9776 9488.2043 5.25_69.0704m/z 69.07044454 5.25 467.3576 524.0978 497.8351 525.4081 496.7352 515.2832 5.25_73.0652m/z 73.06517905 5.25 70.6552 77.7177 96.4702 66.5881 99.1813 74.0583 C4H10O2 2-Ethoxyethanol 46788 MEDIUM 5.26_127.0363m/z 127.0362764 5.26 780.6966 748.4963 762.6833 770.2520 778.2467 788.2267 5.26_300.1797m/z 300.1797361 5.26 10949.4072 11987.8625 11610.2691 11880.5677 12006.4997 11673.7039 5.26_97.0651m/z 97.0650805 5.26 214.6434 244.1136 227.2784 217.4888 239.1833 238.1961 C6H10O2 Gamma-Caprolactone HMDB03843 MEDIUM 5.27_259.1715m/z 259.1715251 5.27 698.2177 721.0367 686.1948 712.8440 693.8614 740.0080 5.27_95.0090m/z 95.00901192 5.27 178.7905 132.6904 167.7815 155.9964 168.4535 171.4108 C5H5NO2 Pyrrole-2-carboxylic acid Pyrrole-2-carboxylic acid HMDB04230 MEDIUM 5.28_136.9318m/z 136.931825 5.28 138.4241 96.0160 135.4041 110.9970 118.9910 114.8364 5.28_144.9931m/z 144.993085 5.28 117.5006 76.8879 119.7962 108.5053 116.7114 107.5923 5.28_199.0951m/z 199.0951344 5.28 2337.6547 2091.2579 2469.3510 2299.7936 2460.2137 2357.8636 5.28_251.0845m/z 251.084456 5.28 3766.4642 3704.8763 3654.3916 3786.6148 3730.4890 3809.1744 5.28_261.0719m/z 261.0718894 5.28 1570.3366 1303.0905 1521.5079 1426.3580 1573.3935 1456.5823 5.28_292.0512m/z 292.0511833 5.28 1533.7749 1290.2048 1570.4079 1497.3595 1587.4253 1400.0742 5.28_292.5459m/z 292.5458619 5.28 103.9101 104.8276 106.5279 109.4366 127.9950 102.9088 5.28_308.0971m/z 308.0971016 5.28 4984.1321 4294.9438 4843.3552 4743.6503 4727.9229 4715.0200 5.28_340.1733m/z 340.1732906 5.28 13145.3666 13811.7144 13513.5358 13852.0556 13828.3009 13722.0547 5.28_579.7738m/z 579.7737835 5.28 36.1697 85.2323 82.3747 81.3204 69.7814 74.8972 5.28_583.1192m/z 583.1192098 5.28 2309.0180 2420.8176 2313.1529 2362.6795 2349.2747 2280.5457 5.28_93.0135m/z 93.01349519 5.28 361.0786 273.6437 330.2044 318.4054 315.8858 312.8990 5.29_392.5906m/z 392.5905651 5.29 37.8727 35.4961 33.2077 39.4929 33.1446 32.6211 5.29_545.1365m/z 545.1364778 5.29 6927.7781 7905.8979 7336.0451 7357.3233 7413.7597 7405.8658 5.30_518.1299m/z 518.1299072 5.30 6829.0858 6849.6629 6586.4976 6742.3536 6540.5823 6692.7846 5.30_683.1520m/z 683.1520368 5.30 2338.7194 2320.5634 2308.9775 2340.9701 2341.4688 2316.0654 5.30_729.1803m/z 729.1803327 5.30 5526.7832 5365.9842 5267.7528 5569.3048 5364.9192 5312.9449 5.30_754.1968m/z 754.1968368 5.30 331.0576 347.5173 380.2129 345.5698 405.1987 366.7326 5.30_841.1698m/z 841.1697934 5.30 6510.8995 6494.3977 6515.1578 6503.8210 6522.0953 6443.1232 5.31_284.5929m/z 284.592948 5.31 7007.1460 5802.6098 6400.7157 6639.2512 6674.5505 6716.7386 5.31_296.7153m/z 296.7152773 5.31 538.9743 656.5418 667.1269 698.3254 658.7911 709.1334 5.31_316.2083m/z 316.2083072 5.31 644.1308 656.7989 738.8145 766.1436 705.3144 705.9006 5.31_346.2204m/z 346.2204119 5.31 3376.3805 3500.0894 3496.3795 3635.9812 3462.3558 3513.6965 C22H34O4 Diisoheptyl phthalate MEDIUM 5.31_405.1407m/z 405.1407231 5.31 3465.8214 5143.3965 3546.7192 3919.7870 3549.7776 4245.1729 5.31_427.6320m/z 427.6320397 5.31 350.1643 278.9329 328.6360 325.5792 308.8462 325.9518 5.31_428.6278m/z 428.6278254 5.31 290.8350 237.0572 216.0720 246.3200 223.9969 223.6724 5.31_435.6210m/z 435.6209567 5.31 1789.5573 1384.8990 1661.8796 1608.0228 1603.7849 1574.4080 5.31_443.1079m/z 443.1079441 5.31 3356.9679 2855.5433 3312.3762 3206.0845 3344.6876 3233.2423 5.31_443.6070m/z 443.6069831 5.31 880.1543 647.0677 738.0432 714.9282 799.3844 715.5035 5.31_447.6052m/z 447.6051618 5.31 988.3069 812.9477 936.5091 941.8948 941.0497 934.4928 5.31_517.6419m/z 517.6418909 5.31 452.5867 530.7336 488.7960 480.9854 503.5620 461.8011 5.31_567.6772m/z 567.6771551 5.31 2583.4262 2162.2888 2499.1913 2533.6877 2552.2839 2576.1812 5.31_576.6912n 560.6831567 5.31 2184.0727 1820.0145 2063.0302 2123.6719 2088.5189 2108.7269 5.31_577.1858n 595.1399878 5.31 19458.7119 17299.2330 18633.0425 19063.6283 18940.5043 18731.5537 5.31_578.6610m/z 578.6610071 5.31 203.5004 111.9249 210.6253 207.8545 206.0158 204.8904 5.31_591.4195m/z 591.4195232 5.31 567.9563 718.4426 765.6262 762.7012 736.6810 745.1871 5.31_598.6357m/z 598.6356959 5.31 596.4010 413.2733 615.0582 652.4364 651.9766 675.1690 5.31_699.7320m/z 699.7319601 5.31 1177.9768 1006.2101 1158.6644 1169.7757 1154.6859 1177.8549 5.31_711.1819m/z 711.1818799 5.31 2709.3814 2509.5972 2640.6291 2705.6998 2730.6791 2678.6122 5.31_718.1967m/z 718.1967343 5.31 964.8975 880.4001 925.3395 943.5451 932.6695 955.2288 5.31_718.7042m/z 718.7041555 5.31 663.0315 482.9304 569.0625 626.1481 614.3856 586.4437 5.31_724.6972m/z 724.6971887 5.31 190.7288 108.1069 158.2998 140.1821 133.2240 144.1822 5.31_725.6862m/z 725.6861524 5.31 1334.6766 931.7509 1065.0536 1097.9158 1148.8786 1134.8358 5.31_728.6931m/z 728.6930666 5.31 885.3790 531.8691 713.8105 734.6080 758.9329 729.8604 5.31_737.6730m/z 737.6729862 5.31 656.4774 453.1284 606.3211 580.5591 573.6194 559.6478 5.31_842.7115n 865.7277849 5.31 666.2819 464.5989 587.8483 607.3914 574.7311 563.0598 5.31_850.7512m/z 850.7511847 5.31 380.1301 275.9513 387.8007 329.2299 350.9015 355.3486 5.31_857.7419m/z 857.7418808 5.31 476.5628 381.1206 435.9467 434.1041 411.7273 403.6594 5.31_864.2225m/z 864.2224714 5.31 2064.0266 1790.9641 1920.7295 1969.0809 1981.1830 1949.0467 5.31_869.7315m/z 869.7314971 5.31 466.2669 224.1411 386.3831 347.5790 310.4079 327.5265 5.31_885.3193m/z 885.3192662 5.31 2356.2204 2546.5585 2291.6315 2524.8002 2310.1106 2370.4873 5.31_891.2162m/z 891.2162052 5.31 1275.8617 1183.9776 1282.0648 1268.7504 1263.3872 1292.3685 5.31_892.2507n 875.2474128 5.31 15685.8566 13730.0903 14682.6763 14999.9542 14839.8073 14796.4589 5.31_947.2690m/z 947.2689904 5.31 772.5270 798.5026 799.5632 692.1192 728.9176 747.2255 5.32_246.5324m/z 246.532442 5.32 102.4238 39.1970 85.9510 82.5897 89.2667 111.3941 5.32_302.5483m/z 302.5482609 5.32 148.7933 106.3221 76.1730 117.2172 150.4956 128.4634 5.32_303.5659m/z 303.5659306 5.32 1117.8323 881.8655 1076.1732 1132.3861 1087.0451 1123.8172 5.32_306.1331m/z 306.133116 5.32 4994.3289 5231.3003 5248.6217 5256.9519 5293.4029 5248.7965 C17H15N5O Zaleplon 10102 MEDIUM 5.32_311.5522m/z 311.5521667 5.32 836.0565 673.4214 753.9297 748.8275 780.8490 808.3391 5.32_416.6480m/z 416.6479514 5.32 1045.1996 972.5500 976.6292 987.6632 1018.5081 964.5918 5.32_556.6243n 574.6581587 5.32 7162.9023 5853.4487 6585.0909 6577.3230 6669.8695 6576.2143 5.32_570.1496n 553.1900244 5.32 71288.5731 64353.0720 68993.7047 69998.6562 69783.5993 69211.2366 5.32_580.1487m/z 580.1486823 5.32 3695.9014 3372.1367 3491.5797 3654.0088 3509.3807 3523.1090 5.32_707.2134m/z 707.2133753 5.32 1899.1233 1601.1462 1708.0669 1749.9810 1770.2222 1708.9968 5.32_710.7051n 711.7123507 5.32 1459.1186 1072.4452 1249.4785 1275.0165 1288.6248 1257.7276 5.32_722.7360n 706.7134504 5.32 1581.8423 1274.2597 1458.9205 1491.6497 1382.1150 1418.4945 5.33_101.0482n 84.04495142 5.33 13135.2965 13473.1011 13385.2258 13751.3977 13698.5333 13747.3648 5.33_130.1434m/z 130.1434086 5.33 4216.1440 4191.5818 4304.5160 4392.1763 4466.9213 4282.1348 5.33_130.1735m/z 130.1735072 5.33 848.8654 737.0100 815.2882 746.2375 762.6113 512.2174 5.33_130.3605m/z 130.3604704 5.33 967.3292 1050.2730 965.1223 958.7509 954.6612 937.9095 5.33_136.0755m/z 136.0754735 5.33 25464.4848 26230.5522 26030.9401 26471.8352 26653.2789 26849.5182 C8H11NO2 Dopamine Dopamine 18243 MEDIUM 5.33_221.0887m/z 221.0887026 5.33 3378.3879 3160.9389 3178.6012 3366.8414 3257.2507 3259.4223 5.33_264.1153n 265.1188366 5.33 305661.3232 302913.0262 307664.0903 315185.6401 313227.9179 316893.4617 5.33_264.2432n 287.2387873 5.33 24037.0441 21856.6468 23139.2702 23597.1484 23338.5840 22473.0736 5.33_265.5611m/z 265.5611094 5.33 876.8153 782.2225 834.2067 789.1356 805.3570 770.1142 5.33_287.1524m/z 287.1523588 5.33 4715.4200 4835.2059 5121.3607 5398.7487 5482.3428 5260.7220 5.33_295.5760m/z 295.5759927 5.33 284.7984 186.6986 240.3808 262.8008 265.9456 304.3359 5.33_318.1913m/z 318.1912545 5.33 30217.3415 31298.6444 31137.1134 31864.8495 31587.4710 31576.5139 5.33_680.7581m/z 680.7580978 5.33 115.7736 115.2203 103.2860 108.7180 122.3775 112.2944 5.33_692.7380m/z 692.7380369 5.33 388.2370 306.9316 377.6150 356.9324 365.4574 349.8778 5.33_792.3292n 815.3086385 5.33 6081.8830 5611.3587 5800.7481 5908.3875 5755.1738 5858.2196 5.33_812.8141m/z 812.8141062 5.33 155.7324 178.6701 164.5835 172.1626 188.0887 172.2505 5.33_816.2926n 817.2998581 5.33 16694.3496 15608.7065 16031.6269 16363.4779 16174.2193 16178.1534 5.33_83.0609m/z 83.06086964 5.33 1414.0843 1400.0225 1433.4896 1452.4114 1465.7789 1471.8200 C4H8N2O Gyromitrin 5583 MEDIUM 5.33_844.2454m/z 844.245401 5.33 2373.2508 2158.8748 2253.3836 2237.1109 2281.8832 2243.5483 5.33_845.2451n 846.2523386 5.33 36249.6737 32729.3958 34925.0386 34548.4196 34799.2751 34506.1633 5.33_855.2222m/z 855.222214 5.33 11124.0014 10068.9652 10686.1508 10620.9016 10798.6297 10651.6943 5.33_91.0548m/z 91.0547731 5.33 6362.5277 5841.1288 6166.9694 6291.5443 6244.3211 6340.5452 C7H8O p-Cresol P-Cresol 17847 MEDIUM 5.33_944.8693m/z 944.8693016 5.33 213.9235 240.6612 252.1694 203.2586 282.3341 222.3545 5.34_523.1850m/z 523.1849642 5.34 6002.4863 5398.9462 5686.9114 5928.2910 5862.2276 5834.8535 5.34_538.1500m/z 538.1500367 5.34 3408.2072 3045.3409 3179.2257 3207.4419 3277.4078 3101.2396 5.34_551.2103m/z 551.2103016 5.34 103864.8676 92727.4907 99840.2480 101913.0248 101595.2190 101603.4552 5.34_582.1419m/z 582.1418998 5.34 56098.8933 49643.4714 53939.8016 54004.4342 54327.0537 53755.9091 5.34_831.2878m/z 831.2877793 5.34 155471.6712 141744.0658 150754.5976 153131.8859 151747.3628 152141.1897 5.35_286.0963n 287.1011626 5.35 584052.6118 521622.2683 574251.6789 586808.7207 584858.5642 590962.0868 5.35_287.2835m/z 287.2835105 5.35 4803.0052 3611.0952 4061.6508 4108.0876 4013.9728 3138.3661 5.35_287.3322m/z 287.3321836 5.35 3868.6583 2986.5135 3667.6739 3093.4886 2960.1107 3445.5565 5.35_287.5625m/z 287.5624779 5.35 4597.5305 3944.2454 4192.5236 4335.8862 4253.8519 4241.4773 5.35_567.1764m/z 567.1763566 5.35 170969.2827 151755.8149 164841.6621 167806.8806 167349.9477 166314.0351 5.35_567.3718m/z 567.371758 5.35 1121.5564 774.9413 816.3283 848.2688 862.6656 681.2313 5.35_586.6491m/z 586.6490889 5.35 1365.7960 912.1764 1159.5397 1189.1147 1255.9264 1163.5941 5.35_590.1957n 591.1434736 5.35 29536.0122 26452.2033 28090.7359 28534.2719 27952.6235 28126.5316 5.35_784.1477m/z 784.1476578 5.35 2883.7383 3110.6008 2821.9857 2902.4728 2773.7075 2867.0621 5.35_798.1948m/z 798.1947758 5.35 4699.2034 4576.3781 4525.5929 4755.7973 4618.5359 4505.0941 5.35_885.2152m/z 885.2152091 5.35 3667.8133 3521.2295 3901.9281 3524.6828 4119.5013 3658.7393 5.35_929.2287m/z 929.2287347 5.35 2393.0297 2265.2331 2314.8155 2344.0079 2244.8435 2195.6708 5.36_1010.2464n 994.2631511 5.36 2988.6311 3097.4672 2881.5073 2991.7143 2874.9317 2732.9416 5.36_202.5603m/z 202.5603144 5.36 468.3175 358.1348 392.0470 437.2992 429.1151 428.0104 5.36_216.5573m/z 216.5572638 5.36 1020.3650 861.1092 915.8265 943.3059 917.4391 946.5235 5.36_225.0708m/z 225.0707753 5.36 10303.7456 8494.8036 9448.2466 9542.4221 9638.9070 9870.2070 C10H9NO2S Mobam MEDIUM 5.36_225.5717m/z 225.5716944 5.36 1291.6176 1017.4109 1221.0637 1204.0371 1273.7662 1240.2741 5.36_261.5802m/z 261.5802092 5.36 1153.7323 935.7944 1090.0957 1056.3777 1145.1888 1111.2778 5.36_292.5813n 275.5780057 5.36 3068.1764 2541.1391 2766.5989 2886.7589 2928.7392 2916.6044 5.36_447.1072m/z 447.1071729 5.36 6275.8825 5863.9027 6054.9363 6032.7784 6041.3179 5968.8851 5.36_449.1326m/z 449.1326186 5.36 6517.3233 5703.2119 6095.8491 6307.2644 6294.2226 6185.3799 5.36_681.1686n 665.146025 5.36 8153.8899 7398.6298 7665.7116 7743.7188 7723.2334 7674.0816 5.36_739.1591m/z 739.1590767 5.36 1777.4576 1743.3618 1738.8350 1699.4437 1684.2416 1673.8524 5.36_741.1657m/z 741.1656865 5.36 1431.2756 1437.4161 1435.1858 1499.3114 1359.3473 1380.7371 5.36_780.7188m/z 780.7187768 5.36 226.3490 177.1694 226.2130 175.5300 196.9106 180.7283 5.36_827.2017m/z 827.2016926 5.36 1938.5372 2037.9056 1911.7917 1901.5860 1912.6557 1838.5828 5.36_915.2358m/z 915.2357656 5.36 930.4596 1057.3704 928.9130 1026.7036 927.0318 1023.3103 5.36_951.2696m/z 951.2696296 5.36 4814.2479 5161.3809 4816.2206 4902.1600 4876.7671 4759.6094 5.36_952.2441n 935.2408611 5.36 3289.6301 3460.9309 3169.4948 3484.2079 3185.5516 3317.3142 5.36_985.2879m/z 985.2878512 5.36 1161.7508 1347.3927 1216.0108 1247.5694 1136.7573 1214.7012 5.37_129.5263m/z 129.5263078 5.37 213.9475 156.3723 181.5626 176.7306 172.1163 170.6742 5.37_143.5276m/z 143.5276079 5.37 128.7123 94.9545 115.2215 144.4472 119.2278 108.9077 5.37_152.5353m/z 152.535321 5.37 295.4657 244.9004 273.0729 274.7899 272.4670 254.6572 5.37_217.5813m/z 217.5812938 5.37 274.9705 208.3271 240.5233 228.4309 239.5857 262.1798 5.37_293.0563n 276.0529702 5.37 4466.8579 4162.6871 4371.8458 4325.9641 4427.7587 4491.6728 5.37_302.0419n 303.0675032 5.37 29016.9593 24576.9440 27243.3088 27344.0789 27529.8564 27840.6753 5.37_319.0376m/z 319.0376207 5.37 1355.3648 1100.3530 1279.9338 1267.2640 1335.2855 1323.7081 5.37_327.0343m/z 327.0343262 5.37 1416.8440 1252.7239 1333.1515 1442.2462 1377.8131 1322.5084 5.37_413.1410m/z 413.1410001 5.37 20652.7096 23280.0904 21813.0521 22048.5188 22389.9181 22385.0655 C17H26O10 Loganin Loganin HIGH 5.37_435.1205m/z 435.1205013 5.37 6191.1141 5231.3341 5732.7840 5885.2527 5779.5694 5797.8053 5.37_442.6037m/z 442.6037146 5.37 522.5962 392.1615 465.1128 467.1801 426.0449 451.1467 5.37_648.1557n 649.163019 5.37 2352.9015 2502.4043 2263.3625 2500.9617 2260.7777 2368.0336 5.37_648.6661m/z 648.6660927 5.37 74.4013 60.1727 60.9583 67.3272 89.9763 82.3442 5.37_715.1756m/z 715.1756014 5.37 2217.7485 2261.0557 2152.8445 2368.7922 2236.3092 2289.9491 5.37_773.7306m/z 773.7306443 5.37 132.7101 121.0067 136.8722 141.2565 146.7575 100.1743 5.37_886.2361n 869.2328053 5.37 8234.1735 7390.7882 7587.8357 7818.1140 7802.4981 7618.4804 5.37_923.2348m/z 923.2348332 5.37 2418.0463 2397.9551 2299.9727 2372.9911 2346.8906 2217.8301 5.37_973.2290m/z 973.2290448 5.37 2235.2238 2080.7318 2087.3474 2139.1946 2041.4977 2046.0432 5.37_979.2880m/z 979.287977 5.37 1481.6691 1552.4232 1515.8121 1614.1077 1532.1146 1534.5527 5.37_989.2249m/z 989.22485 5.37 1264.3209 1196.9129 1142.4062 1069.6528 1121.0255 1085.9568 5.38_138.5315m/z 138.5314696 5.38 329.1362 264.9818 298.3589 310.6132 306.6129 293.9581 5.38_157.0598n 158.0628807 5.38 845.9724 814.8805 803.7415 864.9862 808.1825 878.6994 5.38_161.5421m/z 161.5420743 5.38 103.5852 105.1068 96.3830 94.0526 84.3009 81.3900 5.38_231.0618m/z 231.0617944 5.38 2760.2106 2439.0696 2533.4557 2598.9743 2568.8874 2582.6910 5.38_236.1640m/z 236.1639715 5.38 2330.3825 2417.1352 2304.9280 2290.1608 2308.5903 2379.2475 C14H21NO2 "3,5-Diisopropylphenyl methylcarbamate" 27689 MEDIUM 5.38_256.5719m/z 256.5719223 5.38 25.9623 26.9792 21.5863 34.0657 6.2759 28.1733 5.38_258.0677n 281.0991191 5.38 48057.2071 50574.5524 48920.2755 50286.8767 50559.5747 50706.6282 5.38_299.0655n 283.0429489 5.38 3487.7031 3209.5237 3213.5997 3321.7831 3177.8385 3375.1713 5.38_309.0821m/z 309.0821436 5.38 18537.5085 15687.9030 17297.5625 17688.1070 17428.1847 17589.2795 5.38_315.5536m/z 315.5536486 5.38 375.4222 304.3845 300.8641 335.1706 321.3397 321.9394 5.38_329.0286m/z 329.028619 5.38 670.1797 591.5959 618.3564 620.9964 623.3314 631.1089 C18H15As Triphenylarsine MEDIUM 5.38_350.1586m/z 350.1586444 5.38 387.7489 509.4367 487.7296 455.5274 486.7952 499.0701 5.38_566.2352n 589.1567148 5.38 3187.4734 2699.9409 3000.4104 3060.7406 3058.8756 2940.5691 5.38_687.1757m/z 687.1756931 5.38 1878.4582 1950.2437 1884.1125 1910.1619 1853.7799 1909.5855 5.38_771.1548m/z 771.1548385 5.38 4941.3894 5071.3674 4872.3995 4923.7321 4699.5069 4796.7239 5.38_920.2096n 904.1870565 5.38 1795.7796 1843.5575 1867.5684 1707.5131 1958.1129 1755.1247 5.39_220.0303m/z 220.0303112 5.39 142.6133 124.5670 116.8046 132.4865 104.2314 130.8364 5.39_286.5849m/z 286.5849145 5.39 66.9793 67.2722 80.1068 72.5068 72.2336 67.4256 5.39_304.2105m/z 304.2105216 5.39 1146.7569 1395.0423 1241.1120 1261.1230 1238.7362 1243.2905 5.39_336.1428m/z 336.1428124 5.39 3466.6395 3912.8721 3435.4275 3834.6191 3577.7267 3636.3835 5.39_360.2001m/z 360.2001055 5.39 5282.2578 5683.8537 5391.1042 5607.3414 5603.9229 5584.0483 5.39_391.5932m/z 391.5932157 5.39 221.8509 184.2348 176.1158 187.0142 154.1857 161.7891 5.39_964.2412m/z 964.2411805 5.39 2298.0042 2548.8972 2437.8589 2558.7003 2407.3194 2427.6185 5.40_105.0339m/z 105.0338683 5.40 413.0552 454.3727 408.3798 426.6049 423.8120 424.0698 C7H6O2 Benzoic acid Benzoic acid 30746 MEDIUM 5.40_296.5661m/z 296.566087 5.40 71.6733 58.2372 68.5565 40.6858 38.3750 54.5411 5.40_96.0131m/z 96.01308557 5.40 71.9493 56.7120 48.4998 52.8352 56.7424 61.6272 5.41_111.0803m/z 111.0803393 5.41 211.5647 262.1829 217.7139 242.2295 216.1579 259.5361 C7H12O2 Dihydro-5-propyl-2(3H)-furanone MEDIUM 5.41_280.6063m/z 280.6063014 5.41 87.2578 78.8612 86.5830 90.2449 77.5525 89.4737 5.41_306.5733m/z 306.5732647 5.41 154.1226 116.0228 112.8897 135.0941 131.9372 148.4052 5.41_518.2371m/z 518.2370628 5.41 9877.7012 11592.6562 10565.9030 10683.3605 10781.5316 10863.9015 C27H32O9 Verrucarin B MEDIUM 5.41_663.1647m/z 663.1646578 5.41 1112.8518 1083.5637 1048.9433 1152.8949 1050.8165 1099.3686 5.41_805.4125m/z 805.4125265 5.41 163.6921 333.7232 181.7098 272.6713 212.6193 225.3956 5.41_939.2642m/z 939.2642453 5.41 1640.9430 1935.7360 1634.8611 1818.5749 1631.0403 1688.1333 5.42_211.0953m/z 211.0953394 5.42 4361.1584 3831.2039 3883.9002 4170.3184 4011.8336 4106.1491 5.42_250.0763m/z 250.0762539 5.42 4219.8892 3746.2374 3875.7956 4065.2395 3998.5438 3994.5972 5.42_250.5733m/z 250.5732956 5.42 208.8223 226.8184 229.6328 202.6288 213.4809 240.0663 5.42_328.2101m/z 328.2100939 5.42 535.5125 429.4504 441.7008 501.2092 420.3471 435.6020 5.42_395.0939m/z 395.0939111 5.42 7124.0717 7535.8718 7335.1651 7541.3519 7453.6579 7537.3306 5.42_411.0674m/z 411.0674363 5.42 4552.0065 4336.4051 4355.8392 4527.4687 4376.7158 4485.3247 5.42_659.1931m/z 659.193063 5.42 1143.9194 1326.0133 1171.1893 1231.8307 1183.7959 1228.7304 5.42_675.1682m/z 675.1681687 5.42 1851.1393 2022.1944 1999.7820 1977.3221 2013.2900 1950.8667 5.42_691.1539m/z 691.1538782 5.42 1521.7482 1463.0485 1501.0798 1524.2256 1527.4759 1540.2169 5.43_107.0293m/z 107.0292635 5.43 375.3601 377.3210 340.7237 382.9645 328.9326 372.8591 5.43_146.5425m/z 146.5424626 5.43 63.7318 57.7967 71.5357 80.6310 77.7803 69.1750 5.43_175.5455m/z 175.5454638 5.43 225.8246 236.3856 232.9943 248.7380 239.4523 233.7763 5.43_207.0650m/z 207.0650402 5.43 2911.6757 2769.3187 2702.9105 2847.8013 2765.8756 2861.1838 5.43_227.1247m/z 227.1246835 5.43 1960.9227 1530.4789 1650.1808 1693.1329 1705.4494 1820.6268 5.43_235.0262m/z 235.0262163 5.43 276.2828 281.1112 217.6921 187.9299 241.5912 254.0573 5.43_243.6537m/z 243.6537364 5.43 165.5451 193.4098 138.0571 166.0430 168.0482 165.8503 5.43_274.1014n 297.1454508 5.43 7953.5620 8177.0446 7923.9373 8101.7655 7822.0405 8077.9219 5.43_326.0719m/z 326.0719119 5.43 285.8661 215.0925 271.8742 259.8715 281.3387 254.5190 5.43_326.5688m/z 326.5688197 5.43 61.5877 73.4796 76.0130 53.5880 85.2659 65.6181 5.43_328.7067m/z 328.7067076 5.43 206.8282 274.0874 206.0411 238.6409 230.7456 205.1964 5.43_333.1126m/z 333.1126235 5.43 62588.2322 73880.7103 69921.0908 70985.0906 71275.1733 71033.1939 5.43_348.0719n 349.0792006 5.43 21901.4266 20030.1560 21081.5457 21581.4072 21432.3016 21433.6704 5.43_386.1023m/z 386.10235 5.43 2461.1491 2310.5969 2331.2376 2360.6942 2334.8931 2370.3900 5.43_635.1557m/z 635.1556662 5.43 1722.2387 1784.0371 1800.1209 1881.3288 1782.4393 1796.5234 5.43_656.4046m/z 656.4046444 5.43 258.6873 385.9830 305.5783 311.1211 326.0981 316.1570 5.44_406.2326m/z 406.2326089 5.44 18102.7569 20381.1418 19122.4791 19620.1578 19638.9799 19275.5596 C24H33NO3 Naftidrofuryl MEDIUM 5.44_681.1513m/z 681.1512844 5.44 4164.8507 4360.9981 4160.8117 4104.8535 4152.2473 4077.4405 5.46_247.0433m/z 247.0432987 5.46 1089.4460 842.6240 928.0578 997.2735 970.0716 989.8456 5.46_270.1782m/z 270.1781621 5.46 534.0621 565.0423 569.9404 611.9270 526.1686 572.0724 5.46_557.5561m/z 557.5561211 5.46 145.6343 124.6523 168.0281 164.0944 144.9691 128.1035 5.46_557.8908m/z 557.8907574 5.46 52.0723 46.5486 48.1111 65.5921 36.6290 20.1621 5.46_599.1925m/z 599.1925155 5.46 1321.8166 1436.4264 1429.3361 1464.2155 1376.1999 1430.3083 5.47_103.0393m/z 103.0393135 5.47 470.5108 520.2324 468.3250 495.9605 476.5960 483.9426 5.47_136.9315m/z 136.9314646 5.47 188.9118 96.7488 162.6791 126.0041 151.5484 143.6018 5.47_139.0494m/z 139.0494143 5.47 1354.2942 1176.9597 1247.9842 1353.6704 1281.0250 1316.7928 5.47_168.0548m/z 168.0548053 5.47 2363.8788 2250.1583 2334.3072 2496.9255 2395.7638 2387.9018 5.47_168.5558m/z 168.5558298 5.47 224.6625 203.5435 235.4906 239.6411 217.3089 241.1229 5.47_180.6175m/z 180.6174919 5.47 363.8170 326.4583 378.2267 376.0019 389.0771 384.2150 5.47_233.5591m/z 233.5591134 5.47 67.4136 40.4025 74.9420 67.6318 57.8891 69.5800 5.47_261.1240m/z 261.1240149 5.47 966.8912 713.3303 900.9363 830.6464 875.5458 908.7638 5.47_336.1396n 319.1363601 5.47 63794.9547 66255.7359 68309.7757 68599.4657 68373.8531 68964.3915 5.47_341.1004m/z 341.1004129 5.47 7546.7771 6220.1452 6786.0917 7091.7955 6892.5317 7035.9915 5.47_621.1711m/z 621.1711207 5.47 2239.5272 2047.3666 2046.3811 2287.6810 2149.1106 2218.5410 5.47_816.8571m/z 816.8570915 5.47 1596.9550 1993.4581 1803.4567 1800.7511 1841.6925 1879.3959 5.47_84.0815m/z 84.08148037 5.47 107.7768 95.1841 102.8102 99.9452 106.2896 105.9342 C5H9N tert-Butyl isocyanide MEDIUM 5.48_139.5530m/z 139.5530077 5.48 45.1976 34.5280 48.3829 49.5504 36.5125 46.8968 5.48_203.6197m/z 203.6196973 5.48 133.2734 96.1760 118.7554 113.8124 114.4342 105.0901 5.48_221.5364m/z 221.536446 5.48 64.3526 42.5588 64.5492 67.9744 48.7500 62.1238 5.48_288.1821n 272.0919911 5.48 4534.3163 3592.7186 4813.9215 4738.1212 4692.4320 4565.3203 5.48_426.1014m/z 426.1013806 5.48 3602.8679 3442.5469 3579.1464 3548.6279 3599.4893 3556.7577 5.48_453.1354m/z 453.1354023 5.48 2447.4356 2360.1606 2367.2543 2326.9327 2351.2168 2362.0984 5.49_161.5664m/z 161.5664397 5.49 122.3024 23.4486 115.3940 89.8666 96.3795 84.5282 5.49_523.1110m/z 523.1110028 5.49 3678.4893 7680.5356 4048.2693 4079.6905 4506.2678 4377.2360 5.50_119.0496m/z 119.0495924 5.50 644.5321 693.3059 670.7225 654.1080 708.9953 671.9948 5.50_147.0458m/z 147.0457548 5.50 3464.1944 4147.0397 3694.2170 3639.7092 3761.7124 3684.0772 5.50_169.1334m/z 169.1333773 5.50 466.8255 586.4580 475.5277 478.0463 515.2355 497.6528 5.50_182.0016m/z 182.0016153 5.50 65.7110 57.2548 30.1901 50.5893 41.7570 40.7672 5.50_197.1284m/z 197.1283647 5.50 12161.6882 14326.8713 12351.8166 12818.0125 13012.9276 13075.0750 C10H18N2O3 Dethiobiotin Dethiobiotin HMDB03581 HIGH 5.50_229.1535m/z 229.1534924 5.50 1112.6548 889.6430 999.9153 1071.0076 1016.5223 984.5553 C11H17NO3 Isoprenaline 64317 MEDIUM 5.50_321.2132n 305.154729 5.50 30250.7746 26795.4313 29956.1171 29390.2445 29092.0557 29700.6957 5.50_379.0146m/z 379.0145568 5.50 1068.7559 1615.6697 1353.9699 1400.6098 1372.1035 1363.1649 5.50_428.1815m/z 428.1814816 5.50 573.3247 509.5479 579.8969 572.4147 574.7920 563.3514 5.50_509.1359m/z 509.1358634 5.50 19577.3958 16076.2242 18315.0026 18507.5314 18517.1660 18460.3906 5.50_513.1264m/z 513.1264424 5.50 3256.5469 3246.3981 3140.1265 3411.6900 3190.1279 3246.1858 5.50_70.0655m/z 70.06546879 5.50 126.5289 127.1875 113.3814 122.6286 106.2115 125.5609 C4H7N Butyronitrile 51937 MEDIUM 5.50_719.1550m/z 719.1549861 5.50 2512.8428 2346.4523 2422.9050 2522.9190 2412.3564 2476.8290 5.50_923.0868m/z 923.0868025 5.50 1422.8466 1463.2955 1311.4475 1489.6903 1374.8812 1308.4984 5.51_133.0853m/z 133.0853347 5.51 1096.1997 1214.3885 1093.8892 1150.3392 1141.8471 1115.3311 C6H12O3 2-Ethyl-2-Hydroxybutyric acid 2-ethyl-2-hydroxy-butyric acid HMDB01975 MEDIUM 5.51_163.9934m/z 163.9933772 5.51 1866.1395 1437.0275 1591.0107 1527.4690 1481.3823 1628.2464 5.51_177.1110m/z 177.1110303 5.51 652.5706 746.4916 660.3496 726.4430 712.3075 681.1266 C8H18O5 Tetraethylene Glycol Tetraethylene glycol 44920 MEDIUM 5.51_283.1744m/z 283.1743647 5.51 3102.5130 3471.8170 3164.8253 3152.8787 3263.8713 3082.6519 5.51_89.0601m/z 89.06014757 5.51 263.5122 347.3156 288.4449 295.1831 307.7801 298.0344 C4H8O2 "1,4-Dioxane" 47032 MEDIUM 5.51_95.0494m/z 95.04941419 5.51 114.3976 106.8235 97.0207 103.0782 95.5188 118.8574 5.52_335.0259m/z 335.025894 5.52 4112.6613 3795.7058 6439.4297 4361.8430 6288.4680 5539.8319 5.52_349.9904m/z 349.9903796 5.52 1992.0083 2015.6216 2019.3428 1924.7871 1884.9510 1937.1635 5.52_432.0128n 433.0200934 5.52 5913.6190 5617.5948 5605.8472 5611.9995 5605.8729 5647.4174 5.52_442.9820m/z 442.9820281 5.52 3578.7715 2950.8300 3172.1978 3374.0678 3091.8294 3272.6983 5.52_770.0394m/z 770.0394031 5.52 982.2848 973.1972 981.2305 951.1916 980.3887 969.5675 5.52_847.0552m/z 847.0552051 5.52 1859.4563 1854.8122 1780.9137 1883.7418 1773.8314 1878.9343 5.52_86.0968m/z 86.09679205 5.52 55.6729 65.0356 64.3955 63.2993 64.9796 63.1800 5.52_863.0069m/z 863.0068984 5.52 2177.1003 1887.2958 2037.7252 2064.7371 1892.9009 1944.4125 5.52_865.4005m/z 865.4004713 5.52 127.0478 215.1410 127.2630 90.6333 161.5680 122.4176 5.52_865.6553m/z 865.6552517 5.52 203.1714 225.3724 229.9335 210.5972 261.3817 244.2841 5.52_872.9924m/z 872.9923979 5.52 3013.5331 2691.3519 2835.9095 2913.9212 2923.0655 2737.3649 5.54_113.0872n 114.091534 5.54 338.9899 327.5915 344.9103 352.6141 352.9797 353.4167 5.54_152.1072m/z 152.1071702 5.54 92.3521 85.3115 91.2857 87.9506 95.1502 82.5257 5.54_206.9958m/z 206.995797 5.54 559.8926 442.2289 493.2859 521.4633 517.2937 507.1909 5.54_209.9969n 232.9856501 5.54 11192.6335 9392.6104 10447.8247 10388.3456 10210.4349 10377.4246 5.54_242.0095n 265.0117424 5.54 2570.7629 2138.7471 2321.1916 2400.7310 2250.4900 2358.3102 5.54_243.1340m/z 243.1339675 5.54 19526.9509 21088.3853 20801.7230 21446.9614 20969.1639 21768.2463 5.54_282.9611m/z 282.9610551 5.54 1761.1965 1449.3688 1557.5295 1578.6698 1507.8050 1596.9961 5.54_316.5979m/z 316.5979086 5.54 54.7961 47.1238 33.6604 12.8322 53.2474 35.5896 5.54_395.0102m/z 395.0101923 5.54 393.1448 416.3755 375.5654 373.5044 346.6250 373.5096 5.54_436.9645m/z 436.9644774 5.54 8604.2378 7426.8076 7922.0844 7916.8687 7657.2929 7786.4789 5.54_504.2220m/z 504.2220352 5.54 3372.1927 4153.0071 3894.9390 3872.7823 3814.5027 3934.9091 5.54_507.6858m/z 507.6857942 5.54 476.9486 580.9532 551.5683 565.1502 556.3902 613.5213 5.54_559.9869m/z 559.9869073 5.54 1699.9696 1545.0694 1652.2392 1647.7552 1637.6451 1592.6746 5.54_646.9609m/z 646.9608675 5.54 5682.1278 4933.7611 5128.5915 5310.1680 5127.3120 5185.5605 5.54_673.1024m/z 673.1024272 5.54 7921.3890 8320.9011 7963.1539 7928.8769 7751.3577 7981.2023 5.54_69.0699m/z 69.06991152 5.54 50.0604 55.2995 91.0516 62.8874 88.9207 71.9875 5.54_697.0038m/z 697.0038265 5.54 1089.6065 1162.9079 892.6319 1149.6342 907.9337 982.3932 5.54_763.9760m/z 763.9759852 5.54 384.8752 336.2118 366.2931 341.5408 334.3125 325.0683 5.54_856.9582m/z 856.9582025 5.54 5079.1534 4300.8938 4578.4978 4700.9363 4528.5864 4603.1336 5.54_889.0764m/z 889.0763904 5.54 2217.3521 2253.5061 2030.5203 2069.0716 2085.6028 2075.9046 5.54_93.0337m/z 93.03371555 5.54 147.4185 165.1361 149.4738 181.4276 147.0104 151.5525 5.54_941.0422m/z 941.0422314 5.54 713.0414 700.7093 577.3776 694.7171 566.8280 700.5699 5.54_974.0047m/z 974.0047351 5.54 1529.7680 1354.2738 1404.2575 1366.1179 1306.6663 1278.6312 5.54_983.0606m/z 983.0606096 5.54 2241.6956 2175.4765 2044.5443 2284.7668 2067.3921 2143.3436 5.55_104.0704m/z 104.0703754 5.55 137.8300 186.1148 171.1747 173.5095 160.0766 162.8668 5.55_150.9394m/z 150.9393669 5.55 122.7812 59.9668 111.2753 90.7076 112.7333 99.4235 Cs Cesium 30514 MEDIUM 5.55_400.9937m/z 400.9936642 5.55 464.4299 428.4159 474.4915 446.2162 426.7344 390.8179 5.55_867.9476n 868.9993869 5.55 5688.3296 5033.7798 5355.7037 5442.2445 5280.8854 5288.4150 5.55_911.0431m/z 911.0430662 5.55 2516.6418 2495.1670 2303.7309 2326.5847 2278.1641 2315.6197 5.56_163.0755m/z 163.0754535 5.56 738.3488 756.9001 761.1897 782.7118 752.8094 747.5481 5.56_218.9983m/z 218.9982591 5.56 389.0026 279.6587 334.5610 343.9395 311.7023 350.2677 5.56_223.0950m/z 223.0949905 5.56 2428.4633 2383.7283 2447.8963 2538.2801 2489.7801 2548.8256 C12H16O5 3-Carboxy-4-methyl-5-propyl-2-furan-propanoic acid 3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid 41254 MEDIUM 5.56_284.9580m/z 284.9579545 5.56 777.7335 657.4396 709.9481 738.4591 679.1663 720.3206 5.56_293.9587m/z 293.9587002 5.56 164.4687 99.4314 129.4014 105.5292 150.4609 150.7172 5.56_340.1738m/z 340.1738373 5.56 1305.8434 1363.7256 1351.1197 1303.2521 1370.6431 1305.6212 5.56_421.1042m/z 421.1041937 5.56 3955.2877 4193.1879 3950.2429 4060.3277 3917.6932 4018.7494 5.56_936.0598n 959.0584278 5.56 4956.6757 4994.7501 4916.5626 4986.4859 4647.3709 4622.1654 5.57_147.9834m/z 147.983425 5.57 2347.4252 1949.8003 2139.1688 2079.6252 2058.1085 2157.3358 5.57_231.1002m/z 231.1002265 5.57 713.0743 734.5974 629.2963 689.4521 652.0961 707.9534 5.57_243.9719n 226.9686173 5.57 25382.6532 21685.9738 23383.3475 24021.5284 23439.5288 23761.1827 5.57_257.9563n 258.9912612 5.57 5281.1337 4550.5313 4886.0866 4961.3706 4800.4344 4864.5227 5.57_302.0813m/z 302.0813143 5.57 1988.6242 2128.7183 1808.3052 1923.1453 1904.5154 1968.1224 5.57_799.1144m/z 799.1143901 5.57 3354.1839 3695.9170 3386.4412 3431.2740 3409.8026 3327.9167 5.58_165.0912m/z 165.0911959 5.58 2169.0658 2165.4933 2062.3405 2241.3100 2090.1602 2131.6486 5.58_194.0039m/z 194.0038729 5.58 1612.4035 1291.6188 1448.6152 1426.6471 1494.4166 1419.8587 5.58_273.9592m/z 273.9591892 5.58 3676.0474 3230.3843 3413.4002 3479.7204 3429.8273 3490.1562 5.58_363.1024m/z 363.1023798 5.58 4032.6613 4203.6300 3783.8158 4078.0797 3788.3982 3959.8183 5.58_385.1448m/z 385.1448295 5.58 2466.7560 2608.0570 2477.3706 2558.6827 2469.4146 2448.2607 5.58_401.1520m/z 401.1520341 5.58 3758.2359 3636.7216 3790.4418 3895.3344 3835.8990 3926.3599 5.58_835.0653m/z 835.06528 5.58 2373.4691 2459.6821 2300.4701 2446.7657 2374.0450 2376.2414 5.58_882.0548m/z 882.0548058 5.58 2486.1598 2318.2003 2368.3485 2314.2533 2247.8041 2409.2009 5.59_121.0285m/z 121.0284926 5.59 1532.3506 1506.8418 1513.5151 1540.9942 1509.5994 1521.5951 C7H6O3 4-Hydroxybenzoic acid 4-Hydroxybenzoic acid HMDB00500 HIGH 5.59_149.0239m/z 149.0239014 5.59 9090.4438 8891.2639 8803.8479 9252.5721 8847.9397 9056.8503 C8H6O4 Terephthalic acid Terephthalic acid HMDB02428 MEDIUM 5.59_262.0030m/z 262.0030216 5.59 654.6463 525.7117 580.8476 545.2216 523.8357 527.6956 5.59_450.0212m/z 450.0212356 5.59 1808.6588 1846.1344 1675.4742 1831.5391 1671.0338 1747.2679 5.59_543.1997m/z 543.1997222 5.59 487.4431 599.3968 494.5654 536.3657 496.2068 524.1490 5.59_543.7047m/z 543.7047013 5.59 88.4362 111.7982 123.7554 84.0280 102.8990 94.6795 5.60_149.0964m/z 149.0963692 5.60 370.9739 362.7007 370.8030 356.1245 328.6290 321.0616 5.60_330.1910m/z 330.1909546 5.60 18968.0017 21593.4854 19903.7040 20591.4343 20277.8181 20816.4489 C22H26N4 (+)-Calycanthine 3333 MEDIUM 5.60_399.1253m/z 399.1253298 5.60 4045.5062 4404.1819 4157.8410 4293.9410 4195.7222 4187.0521 C17H20N4O6 Riboflavin Riboflavin 17015 MEDIUM 5.60_461.1082m/z 461.1081776 5.60 4225.6688 4407.2562 4136.9122 4231.0187 4143.5692 4258.3066 5.60_603.1036m/z 603.1036339 5.60 1638.8342 1692.7841 1591.3749 1669.3274 1607.3917 1703.5177 5.60_813.1105m/z 813.1105127 5.60 2334.5524 2318.0165 2247.4927 2280.8444 2306.8192 2225.7828 5.60_851.0735m/z 851.0735257 5.60 1689.6208 1388.6389 1670.9148 1387.1427 1673.1327 1561.1377 5.61_100.0399m/z 100.0399136 5.61 496.4589 525.1933 514.1156 510.7605 514.9150 529.9809 C9H8 Indene 33051 MEDIUM 5.61_102.0550m/z 102.0550211 5.61 106.7395 128.2555 109.9511 137.5380 114.6083 104.0423 5.61_173.1053n 156.1020232 5.61 3718.2754 3753.5907 3672.9107 3797.2829 3670.2689 3788.4593 C8H15NO3 Swainsonine MEDIUM 5.61_244.0109n 245.0181378 5.61 921.8444 714.0274 897.7945 779.4313 860.2595 766.8271 5.61_310.2000m/z 310.1999722 5.61 4457.6286 4611.2368 4326.0620 4569.6089 4388.2867 4536.5873 C17H24O4 Trichodermin MEDIUM 5.61_328.2051m/z 328.2050605 5.61 918.6782 957.8313 874.1785 933.7238 879.6727 939.3572 5.61_387.0419m/z 387.0419111 5.61 3354.2216 3202.0399 3127.1658 3243.6179 3064.7373 3164.4747 5.61_597.0625m/z 597.062487 5.61 4071.0506 4056.6414 3975.9412 4043.4201 3956.6049 3995.2253 5.61_713.3334m/z 713.3334415 5.61 204.4404 300.4500 245.3338 234.8895 263.1106 249.5217 5.61_807.0423m/z 807.0423271 5.61 933.9577 807.4894 891.2856 920.8867 864.6783 903.2803 5.61_997.0563m/z 997.0563464 5.61 1434.0879 1271.4584 1295.5157 1357.3599 1334.2027 1217.0420 5.62_109.0652m/z 109.0652001 5.62 1267.6977 1189.3394 1230.6743 1291.7826 1214.1963 1200.3752 5.62_178.0361m/z 178.0360754 5.62 3318.5466 3395.2558 3270.5265 3382.2848 3377.0787 3385.2049 C10H10O4 Monoethyl phthalate 70973 MEDIUM 5.62_181.0168m/z 181.0167557 5.62 762.9475 641.9031 700.9021 676.4290 692.8983 749.0080 5.62_358.0684n 341.0650773 5.62 8421.9190 8854.7979 8040.4946 8566.2099 8154.9158 8647.7450 5.62_724.1214m/z 724.121417 5.62 1339.8761 1387.8107 1398.8256 1385.9531 1345.5524 1371.7710 5.62_759.1371m/z 759.1370561 5.62 3360.7637 3739.6277 3507.3435 3561.5307 3444.8875 3491.5333 5.62_774.0460m/z 774.0459764 5.62 1172.3749 1067.1626 1100.9186 1172.0712 1134.2293 1116.4840 5.62_939.0873m/z 939.0873109 5.62 1046.4444 979.3557 989.4558 976.9809 959.8147 952.5265 5.63_161.0481n 144.0448615 5.63 4427.2404 4536.7708 4353.3066 4529.6197 4458.8096 4431.5554 5.63_169.0837m/z 169.0836808 5.63 3232.7988 3117.2771 3087.3117 3189.5258 3064.5439 3199.8335 5.63_182.0722n 183.0773997 5.63 5491.1910 5510.3942 5430.0607 5325.4216 5409.7222 5452.8862 C13H10O 3-Hydroxyfluorene MEDIUM 5.63_276.1789m/z 276.1788951 5.63 247.7703 204.2078 241.3960 235.7926 237.6502 218.5581 5.63_359.1125m/z 359.1124661 5.63 2678.1952 2897.7901 2586.3867 2787.6738 2734.3703 2861.8890 5.63_376.0355m/z 376.0354662 5.63 2572.8645 2594.4801 2480.3075 2514.5481 2498.1375 2533.0923 5.63_376.0913n 360.0687689 5.63 12617.2314 13470.3094 12836.6216 13188.1548 12963.7520 13098.3696 5.63_381.1861m/z 381.1861117 5.63 2040.0827 2207.4094 1992.6460 2048.3237 2057.4918 2062.4855 5.63_434.1720m/z 434.1720187 5.63 1063.7987 1080.0351 985.6694 1081.3513 996.0634 1046.3612 5.63_448.1950m/z 448.1949581 5.63 3928.9608 4346.7453 3842.5291 4085.2435 3891.2227 4079.4011 5.63_519.1133m/z 519.1132623 5.63 1039.6071 1182.9091 903.1868 1118.6073 914.6655 1009.9798 5.63_697.1443m/z 697.1443089 5.63 1455.4018 1583.3109 1436.3845 1495.4204 1452.9090 1494.3972 5.63_713.8351m/z 713.8351417 5.63 152.2583 230.5777 119.0702 195.0915 211.6958 181.3361 5.63_780.0901m/z 780.0901429 5.63 2149.2508 2398.2503 2211.5975 2305.9950 2213.9487 2288.6662 5.63_796.0783m/z 796.0782684 5.63 1006.3059 1042.7388 995.2494 1061.1651 956.3230 1027.7265 5.64_120.0449m/z 120.0449274 5.64 157.4437 157.0187 175.6896 177.8805 164.9716 141.8462 C7H7NO2 2-Aminobenzoic acid 2-Aminobenzoic acid 30754 MEDIUM 5.64_123.0049m/z 123.0048673 5.64 231.5144 189.6304 201.1635 215.0243 194.9690 213.7011 5.64_287.0001m/z 287.0000589 5.64 1172.4044 809.0668 1157.6615 1073.9858 1100.6814 1109.4457 5.64_316.0140m/z 316.0140443 5.64 360.7337 271.1043 269.5225 333.0242 284.5653 362.8977 5.64_338.0868m/z 338.0867821 5.64 12893.9429 17069.1114 12492.5100 15265.4105 12765.4679 14824.7672 C20H18O6 Rotenone 28201 MEDIUM 5.65_337.1753m/z 337.1753496 5.65 8219.7606 9352.2221 8331.2764 8397.7695 8554.8195 8653.4129 5.65_360.2004m/z 360.2003916 5.65 415.5444 502.4706 471.6504 495.5381 460.4109 472.3619 5.65_411.0646m/z 411.0646464 5.65 1490.3065 1680.5027 1412.3177 1579.3568 1457.4615 1584.5480 5.65_79.0541m/z 79.0540872 5.65 87.1852 102.0987 93.9721 102.2538 96.2131 105.3936 C6H8O "2,5-Dimethylfuran" MEDIUM 5.66_195.0882m/z 195.0881528 5.66 48973.1438 50861.4552 49227.8026 49376.4831 48488.0168 50174.1186 C8H10N4O2 Caffeine Caffeine HMDB01847 HIGH 5.66_258.1695m/z 258.1694508 5.66 281.0718 272.1095 290.5153 268.2793 281.7543 303.5544 5.66_260.1850m/z 260.1850432 5.66 3199.1756 3619.7946 3135.7696 3361.5640 3129.6661 3386.0445 5.66_390.1420m/z 390.1420484 5.66 661.1452 666.3069 670.1198 624.3510 637.1428 644.6692 5.66_518.2343m/z 518.2343225 5.66 4378.0651 4843.2766 4701.1810 4463.3757 4461.8213 4535.3798 5.66_883.0958n 901.0919584 5.66 4400.7513 4197.6662 4304.3319 4298.1276 4050.0089 4217.3158 5.67_107.0492m/z 107.0492358 5.67 2311.9012 2052.2225 2221.6362 2136.7624 2071.7875 2190.5556 5.67_148.5389n 171.5418077 5.67 602.8805 581.3311 578.7883 579.1137 570.3438 609.5395 5.67_157.5410n 158.550329 5.67 349.0849 335.1723 350.3519 317.3528 335.7272 325.8275 5.67_157.5439m/z 157.5438543 5.67 36.4056 21.0419 32.2744 35.3709 22.2446 30.8683 5.67_220.0279m/z 220.0278836 5.67 1312.4940 1103.5121 1260.3835 1280.6388 1232.9297 1267.8940 5.67_252.5546m/z 252.5545886 5.67 66.6783 82.4436 60.4091 62.4996 51.0319 53.1649 5.67_339.5890n 323.6028386 5.67 362.0777 420.8409 386.5205 394.4791 383.3447 445.0769 5.67_425.2262m/z 425.226216 5.67 788.3632 910.7433 822.9087 879.9622 812.4524 861.5738 5.67_530.1187m/z 530.1186614 5.67 12965.6133 13665.1867 13119.2222 13322.0712 12959.5478 13250.0384 5.67_539.1924m/z 539.192421 5.67 2433.8970 3021.0404 2728.4639 2607.8497 2640.2820 2703.0079 5.67_711.1316m/z 711.1315755 5.67 1411.9042 1423.6444 1324.9860 1388.4997 1248.5557 1322.6833 5.67_818.1031m/z 818.1030926 5.67 2753.0300 2966.9812 2783.6067 2881.8177 2638.1510 2743.9839 5.67_92.0622n 76.03963084 5.67 277.9062 282.3782 273.1719 272.8490 292.6376 277.1845 5.68_101.0713m/z 101.0712653 5.68 96.3001 95.1497 84.5966 80.4189 99.9494 105.2380 C4H10N2O2 beta-Methylamino-L-alanine MEDIUM 5.68_133.0650m/z 133.0650021 5.68 1464.6820 1474.2575 1433.1829 1478.1978 1447.3414 1465.9066 5.68_218.1113n 241.0976305 5.68 6445.8496 6183.5345 6162.2233 6353.2918 5971.4578 6263.3526 5.68_220.0958m/z 220.0958179 5.68 4221.7095 4523.5870 3786.9743 4408.9532 3776.8163 4217.1102 5.68_231.1105m/z 231.1104736 5.68 1447.5562 1575.5370 1521.4300 1494.4344 1403.9391 1505.1040 C13H16N2O3 6-Hydroxymelatonin HMDB04081 MEDIUM 5.68_261.5724n 244.5690693 5.68 159.2207 188.8032 168.7120 185.7846 173.9945 171.5625 5.68_266.5743n 267.5777466 5.68 126.0611 147.7079 157.2963 135.3659 139.6985 170.8177 5.68_278.5393m/z 278.5393414 5.68 33.2802 21.2080 43.0066 29.4305 41.1335 50.1743 5.68_303.5943m/z 303.5942556 5.68 72.6237 105.9168 96.0145 79.4437 87.6343 104.4483 5.68_306.0767m/z 306.0766861 5.68 3926.8621 4116.2225 4015.2710 3962.3963 3991.1632 4083.8030 5.68_326.1110m/z 326.1109698 5.68 28753.7173 30911.6109 29847.3130 29676.3030 29860.7394 30965.5137 5.68_330.2251m/z 330.2250922 5.68 1567.6675 1332.7814 1706.0771 1405.9710 1743.9345 1542.8032 5.68_330.5868n 314.5867965 5.68 93.2679 148.5046 129.8220 114.5245 113.1742 153.5063 5.68_391.0994m/z 391.0994133 5.68 2048.6949 2143.4028 1980.2583 2033.3581 1960.5883 2067.2569 5.68_629.2243m/z 629.2242824 5.68 2012.3399 2181.9945 2225.9048 2044.1451 2169.7998 2233.7723 5.68_898.0462m/z 898.0461591 5.68 2054.5312 2055.5547 1915.5803 2075.0577 1894.9554 1970.8137 5.68_95.0498m/z 95.04982568 5.68 116.1785 117.5073 115.7671 113.1866 107.1969 121.9929 C6H8O2 "(2E,4E)-2,4-Hexadienoic acid" 38358 MEDIUM 5.69_247.0443m/z 247.0442871 5.69 2923.5297 2884.3961 2864.6045 2868.3682 2915.8978 2895.9551 5.69_288.5426m/z 288.5425613 5.69 78.1198 66.4064 108.9024 76.9790 74.4768 61.8261 5.69_356.1646m/z 356.164564 5.69 1410.2076 1451.1082 1471.8597 1436.5916 1435.0668 1463.8078 5.69_362.2145m/z 362.2145209 5.69 1097.7525 1385.3296 1253.3984 1253.3805 1258.5871 1279.8923 5.69_492.1428m/z 492.1428321 5.69 7850.1554 8776.8794 8276.3668 8159.2881 8107.7430 8350.9486 5.69_525.2072m/z 525.2072029 5.69 1665.0578 1822.1450 1753.7100 1726.4084 1732.8709 1760.4030 5.69_65.0392m/z 65.03922168 5.69 77.8953 73.0558 89.7849 74.0579 89.0154 85.5729 5.69_857.1233m/z 857.1232534 5.69 376.7114 372.2205 434.3256 357.4299 461.5535 393.5221 5.69_93.0343m/z 93.03429934 5.69 104.1556 112.2852 96.7577 94.4016 87.1677 99.4363 5.70_121.0288m/z 121.0288148 5.70 3563.1939 3574.2375 3554.9874 3615.9136 3564.9262 3538.8102 C7H6O3 4-Hydroxybenzoic acid 4-Hydroxybenzoic acid HMDB00500 HIGH 5.70_218.0422m/z 218.0422363 5.70 3020.9409 3079.3420 2965.4889 3130.2004 2962.7422 3092.3488 5.70_225.0731m/z 225.0731089 5.70 6029.0284 6548.5299 5968.4805 6225.2089 5906.3737 6237.0888 5.70_236.1632m/z 236.1631682 5.70 360.8372 476.4333 363.3364 434.0195 415.1502 433.1661 C14H21NO2 "3,5-Diisopropylphenyl methylcarbamate" 27689 MEDIUM 5.70_302.0929n 320.1061905 5.70 2038.1595 2266.1044 1764.8204 2206.4250 1728.0537 1946.8110 5.71_245.1323m/z 245.1322998 5.71 156.3797 120.5489 132.2819 103.4288 74.8923 118.5060 5.71_251.5750m/z 251.5750194 5.71 77.4040 98.7299 110.5684 93.2420 84.9917 75.5931 5.71_770.8641m/z 770.8641243 5.71 108.1421 215.1636 168.1939 238.4744 187.6650 198.0507 5.73_173.0243m/z 173.0243102 5.73 3634.6393 3553.5671 3523.6253 3627.7592 3535.0079 3582.5232 5.73_183.0661m/z 183.0661396 5.73 6155.8189 5784.1276 6012.9279 6029.3254 5913.5684 5979.7312 5.73_198.0202n 199.0273079 5.73 5634.8698 5183.9953 5476.0251 5426.0681 5342.1707 5561.5264 5.73_231.0695m/z 231.0694807 5.73 3438.0805 3207.3585 3504.8753 3312.1357 3389.8395 3374.3969 5.73_246.0184m/z 246.0184093 5.73 214.8370 176.3972 203.8097 194.8101 207.8168 182.6951 5.73_345.1104m/z 345.110431 5.73 2703.2196 2732.2757 2745.2558 2770.4139 2779.9193 2767.2118 5.73_771.3662m/z 771.3661559 5.73 112.2315 183.5953 48.2999 151.6878 128.8319 176.6611 5.74_113.0214m/z 113.0213523 5.74 343.2753 290.4456 311.0580 312.0077 287.2832 283.5727 C3H6O3 Glyceraldehyde Glyceraldehyde 5445 MEDIUM 5.74_212.0894m/z 212.0893866 5.74 6043.9862 6131.4299 5855.7560 6015.8486 5950.9380 6134.6998 5.74_287.1952m/z 287.1951648 5.74 182.1830 206.9629 176.7861 163.2876 178.8343 189.5719 5.74_319.1651m/z 319.1650941 5.74 38141.7714 43724.7338 40285.5888 41212.4693 41848.1152 41980.2222 C17H19NO4 Fenoxycarb 5009 MEDIUM 5.74_388.1270m/z 388.1269942 5.74 2457.7809 2655.7278 2549.1219 2563.2921 2522.8844 2533.9249 5.74_522.2937m/z 522.2937104 5.74 532.6162 699.6239 552.2663 536.7630 608.2734 640.7089 5.74_522.7959m/z 522.7959045 5.74 195.3249 241.3667 222.2601 237.2722 247.0966 243.4271 5.74_72.0813m/z 72.08129241 5.74 79.4176 83.0880 96.6156 73.1736 92.4131 96.9029 C4H11NO Dimethylethanolamine Dimethylethanolamine 271436 MEDIUM 5.74_86.0971m/z 86.09709223 5.74 159.9901 165.3209 159.3500 163.9342 164.4380 168.8412 5.75_205.0470m/z 205.0470016 5.75 1685.9423 1541.6021 1626.4975 1662.0879 1578.0526 1671.1163 5.75_234.0744m/z 234.0744102 5.75 6228.1194 5636.0816 5680.7893 5889.6929 5692.2755 5834.0022 5.75_316.2112m/z 316.2112259 5.75 2949.1940 3431.6623 2973.1834 3171.4815 3106.9920 3227.3334 5.76_137.0601m/z 137.0601021 5.76 4961.7220 4902.1559 5081.8178 4852.3219 4985.6697 4916.9245 5.76_160.9914m/z 160.9914302 5.76 281.6778 244.1906 273.0350 268.3070 242.5306 255.4415 5.76_176.9637m/z 176.9637056 5.76 267.7010 238.7166 257.5888 253.6370 232.9094 248.3025 5.76_193.0057m/z 193.0056989 5.76 416.8474 290.5156 325.3048 283.8576 279.9627 321.2610 C4H11O3PS Diethylthiophosphate Diethylthiophosphate HMDB01460 MEDIUM 5.76_201.5333n 224.5587388 5.76 114.9075 121.5440 78.7293 103.0927 98.1117 118.8391 5.76_208.9915m/z 208.9915213 5.76 225.0836 225.8355 224.8068 199.9635 212.8787 189.5096 5.76_221.0123m/z 221.0122963 5.76 1619.1240 1409.1774 1475.3360 1534.3875 1483.9691 1554.1368 5.76_248.1634m/z 248.1633858 5.76 1683.5650 1857.2875 1801.7767 1798.6588 1799.9736 1813.3904 C15H21NO2 Meperidine Meperidine 122528 MEDIUM 5.76_251.0399m/z 251.0399119 5.76 1124.9127 1045.4526 1043.9112 1098.3981 1036.2000 1071.3292 5.76_267.0176m/z 267.0175602 5.76 7904.2640 7381.7021 7551.0165 7801.6396 7669.7843 7734.3956 5.76_281.9823m/z 281.9822726 5.76 1511.8806 1319.6984 1381.7362 1460.0199 1349.0192 1386.7606 5.76_292.9836m/z 292.983615 5.76 379.8508 319.3646 356.3521 334.9930 373.4916 332.9963 5.76_338.1493m/z 338.149287 5.76 14037.4470 15123.5756 14667.4812 14538.9321 14626.3596 14724.1909 5.76_340.1735m/z 340.1735118 5.76 7549.5918 8192.0312 7770.0487 7887.2685 7766.0483 7917.3819 5.76_391.1535m/z 391.1534557 5.76 1400.8723 1534.6186 1409.0944 1417.0890 1421.9527 1459.1155 5.76_403.0720m/z 403.0719976 5.76 3555.0342 3806.8754 3570.4656 3705.6719 3557.5470 3693.2228 C15H17N4NaO7S Propoxycarbazone-sodium MEDIUM 5.76_447.1185m/z 447.1184643 5.76 4141.1474 4499.7342 4171.8298 4321.7037 4133.3344 4241.7905 5.76_94.0410m/z 94.04102764 5.76 194.4613 190.8231 201.3247 180.1318 175.4631 185.6240 5.77_430.1411m/z 430.1410828 5.77 5053.7785 5680.9143 5434.0501 5118.8564 5420.7740 5316.2208 5.78_191.0016m/z 191.0016118 5.78 505.8849 384.4183 471.6745 425.0346 472.8468 473.4032 5.78_207.0989m/z 207.0989442 5.78 4682.1245 4229.5241 4234.1330 4495.2684 4300.6433 4545.3466 5.78_348.2370m/z 348.2370042 5.78 1837.6893 2213.7635 1988.6605 2035.4999 2031.1173 2002.4228 5.79_100.0761m/z 100.0761455 5.79 443.4288 486.1450 459.7590 446.6834 446.6894 467.3725 5.79_192.1515n 210.1089292 5.79 13097.0672 13043.5672 12741.8969 13160.1108 12622.6728 13018.0228 5.79_242.5626m/z 242.5626322 5.79 93.7969 77.6532 82.2936 81.5276 69.5500 70.4953 5.79_263.1378m/z 263.1378431 5.79 14282.8554 15354.1310 14593.8537 14557.0487 14577.6170 14675.2830 C14H18N2O3 Methohexital Methohexital 102216 MEDIUM 5.79_334.0916m/z 334.091588 5.79 5991.8749 6336.4938 6003.7863 6181.2268 5838.7969 6112.1876 5.79_70.0657m/z 70.06571263 5.79 322.6159 362.2113 363.0317 349.0634 336.6112 350.9695 C4H7N Butyronitrile 51937 MEDIUM 5.80_245.5787n 263.5788891 5.80 183.6391 175.7708 149.3082 157.8437 173.0218 160.9142 5.80_257.0986m/z 257.0985663 5.80 4278.1127 3728.1177 3966.8185 4071.6132 3898.8719 4057.1717 5.80_292.5906m/z 292.5905643 5.80 57.1745 123.0294 64.8689 84.5303 60.7441 83.6551 5.80_385.7282m/z 385.7281936 5.80 535.3892 682.2456 560.7810 611.1314 577.0921 604.5576 5.80_411.2462m/z 411.2461513 5.80 393.3111 471.9366 381.3185 427.0630 377.8012 415.9340 5.80_433.1316m/z 433.1315643 5.80 2729.7521 2757.6633 2775.5635 2737.6730 2694.9275 2643.7137 5.81_105.0339m/z 105.0338712 5.81 192.9918 190.9311 197.8559 191.9943 198.0516 210.2639 C7H6O2 Benzoic acid Benzoic acid 30746 MEDIUM 5.81_132.0447m/z 132.0447477 5.81 892.6208 940.7180 939.2700 885.2300 896.4252 916.7450 5.81_150.5501m/z 150.5500694 5.81 12.1325 37.6805 23.4099 16.5536 28.9636 31.8290 5.81_174.0839n 175.085698 5.81 6703.2992 7081.9075 6629.3642 6973.9185 6508.3690 6709.2338 5.81_199.0910m/z 199.0909825 5.81 1869.6941 1950.0377 1982.1523 1935.5600 1785.8736 1902.8041 5.81_220.0815n 203.0782126 5.81 12099.7209 12318.6402 12045.3031 12245.3122 11939.7050 12195.4049 5.81_242.1511n 265.1148211 5.81 90232.0034 102251.7168 96585.4383 97979.0490 96639.5314 98461.1194 5.81_257.0607m/z 257.0607024 5.81 2716.7650 2878.0910 2855.9592 2778.1579 2746.4376 2781.9850 5.81_262.0929n 285.0843541 5.81 33182.7331 37678.0993 35708.3333 35831.8941 35455.9134 35671.5812 5.81_272.0245m/z 272.0244814 5.81 1382.9162 1408.5762 1443.6791 1424.4685 1350.6170 1374.7703 5.81_272.5918m/z 272.59181 5.81 368.7626 375.7100 373.9687 410.2632 393.3780 415.0534 5.81_278.5761n 261.5728536 5.81 170.7170 180.8516 199.4867 146.3428 160.6172 139.6354 5.81_293.5673n 316.5898806 5.81 300.2804 408.4204 387.7116 348.1944 407.6387 371.8920 5.81_301.0525m/z 301.0524794 5.81 2671.8136 2677.5810 2607.9682 2671.7301 2549.6930 2669.1263 5.81_305.0899m/z 305.089896 5.81 6439.0906 6072.5706 6167.5045 6241.5306 6072.8950 6098.3093 5.81_328.1020m/z 328.1020125 5.81 6406.4797 7082.0874 6901.5423 6789.9085 6857.2734 6802.8915 5.81_381.1864m/z 381.1864013 5.81 6481.9505 7782.1948 6918.8626 7068.2489 7052.7141 7029.6800 5.81_407.2194m/z 407.219442 5.81 2496.2601 2872.8897 2867.2661 2716.9696 2668.0917 2656.4564 C22H23N5O2 Roquefortine MEDIUM 5.81_427.1577m/z 427.1577241 5.81 6371.7794 6663.1674 6305.5387 6593.1872 6126.3887 6433.3844 5.81_527.2034m/z 527.203365 5.81 1800.4962 2104.0389 1997.8435 1918.3387 1927.7870 1948.3656 5.81_543.1704m/z 543.1704258 5.81 5187.7550 5857.8555 5531.9988 5415.7678 5429.3188 5470.8369 5.81_711.1947m/z 711.1947403 5.81 1060.8864 1313.9346 1175.6760 1110.8744 1060.8338 1152.4590 5.81_731.1755m/z 731.1755428 5.81 950.3801 1255.1543 1055.6559 1159.0753 1017.3982 1109.0384 5.81_770.4488m/z 770.4488437 5.81 770.4828 1179.7510 887.6244 870.0701 867.5851 826.1664 5.81_848.1905m/z 848.1905432 5.81 97.2684 153.0564 130.4686 114.3011 108.1855 115.7091 5.81_849.2023m/z 849.2023306 5.81 1124.9726 1412.8922 1223.1088 1175.8341 1219.9515 1166.4484 5.81_894.2211m/z 894.2210987 5.81 422.1271 580.2030 391.3726 488.6181 424.3443 390.3286 5.81_914.2044m/z 914.2043682 5.81 275.9858 364.7705 315.2127 318.9217 317.9477 260.3732 5.81_926.2070n 927.2065135 5.81 877.8713 1438.5056 1037.2678 1168.9181 1011.8837 1060.5118 5.81_959.2109m/z 959.2109478 5.81 127.8189 213.7132 162.1281 202.7954 145.7356 109.6276 5.82_101.0481n 84.04485104 5.82 680.0045 716.0057 697.0218 680.6210 699.5160 723.0861 5.82_107.0857m/z 107.0857034 5.82 113.1213 124.3704 112.3938 119.8869 111.1418 114.1969 C8H10 p-Xylene p-xylene 27417 MEDIUM 5.82_113.0876n 114.0915598 5.82 738.8086 773.8280 786.2153 768.6185 717.5006 750.6302 5.82_152.1204n 135.117121 5.82 571.1307 616.9815 556.6743 598.5803 557.0471 564.4225 C10H16O cis-Citral 29020 MEDIUM 5.82_206.0802m/z 206.0802214 5.82 4159.0042 4288.3821 4135.4411 4323.7186 4072.8467 4224.9812 5.82_221.5872n 205.564597 5.82 160.7266 178.1583 172.9647 176.0579 174.1284 192.2240 5.82_231.5825n 214.5792443 5.82 161.6062 184.3949 157.8745 171.1426 142.6992 143.7109 5.82_253.0629m/z 253.0628778 5.82 1968.5293 1878.1743 1996.0702 1894.9966 1896.0463 1945.6937 5.82_268.5885n 291.5659511 5.82 265.1558 251.4869 287.6924 247.2102 239.9724 255.0933 5.82_270.5950n 253.5916927 5.82 179.9709 210.3611 182.9388 204.9077 151.0388 172.0087 5.82_281.5798m/z 281.5798052 5.82 363.9566 409.1421 391.2268 411.9872 390.7694 396.6533 5.82_298.5526m/z 298.5525577 5.82 123.9582 138.3332 138.0805 144.9190 141.5854 137.0696 5.82_306.5710n 289.5676855 5.82 209.6294 206.3158 230.6203 259.1514 214.4719 218.8884 5.82_330.1896m/z 330.189593 5.82 8951.7665 10112.3902 9481.6630 9456.8570 9328.4116 9457.8181 5.82_402.6431m/z 402.6431234 5.82 59.6742 73.8185 63.8150 64.6483 66.3103 70.8820 5.82_429.6303n 412.6270529 5.82 115.6786 145.4462 137.5000 122.1143 124.4395 131.7046 5.82_507.2393m/z 507.2393446 5.82 1772.8960 2180.0913 1986.5020 1991.9347 1935.4845 1959.8562 5.82_523.2050m/z 523.2049514 5.82 3421.5635 3986.2308 3631.2529 3733.3048 3622.7591 3658.7151 5.82_620.2635m/z 620.2634835 5.82 540.6476 636.6579 636.5915 541.7127 584.8613 563.3586 5.82_69.0705m/z 69.07046862 5.82 189.7058 184.5930 192.4380 174.3628 183.5143 197.7711 5.82_870.1907m/z 870.1907291 5.82 91.3057 177.0724 137.6906 137.5878 122.1102 138.7253 5.82_873.1811m/z 873.1811453 5.82 431.5892 669.4842 638.9313 539.3284 466.5991 544.5417 5.82_898.1997m/z 898.199662 5.82 367.7642 464.0538 445.7675 440.8803 433.0921 381.8030 5.82_899.2179n 883.1953432 5.82 1509.3558 1806.6385 1789.5097 1695.4046 1714.0095 1500.9379 5.82_921.2045m/z 921.2044914 5.82 423.4278 653.2702 539.0262 449.3220 464.3403 471.9594 5.82_954.2152n 937.2119498 5.82 575.6847 828.5395 690.6364 723.8386 537.0318 623.1178 5.83_160.0322m/z 160.0321896 5.83 1245.6931 1236.2627 1278.4556 1241.2123 1243.2653 1216.2805 5.83_165.0543m/z 165.0542684 5.83 954.9970 1023.3349 972.9087 961.8204 977.1556 980.8117 5.83_389.1751m/z 389.175148 5.83 2285.8735 2324.4697 2225.1117 2372.6008 2203.1664 2295.5606 5.84_409.1195m/z 409.1194706 5.84 2735.8102 2843.0684 2901.9722 2804.9595 2769.2984 2822.3548 5.85_246.1690m/z 246.1689772 5.85 236.2781 290.3249 253.0331 253.1944 248.8936 269.2637 5.85_316.2107m/z 316.2106639 5.85 3739.6016 4367.8403 4047.2222 4107.8762 4013.9781 3986.1213 5.85_458.5742m/z 458.5742074 5.85 110.6602 157.5537 113.4221 116.3112 127.6466 134.2190 5.86_427.0931m/z 427.0931159 5.86 962.8938 895.5131 913.0508 928.6022 865.8034 914.1590 5.86_861.6537m/z 861.6536988 5.86 118.3588 200.5041 125.1311 147.4899 145.8625 155.0647 5.86_861.9028m/z 861.9027639 5.86 21.4464 106.0879 64.0088 87.9202 54.1053 107.2883 5.86_862.1633m/z 862.163311 5.86 266.3173 595.0034 428.6761 384.2432 368.4230 373.4912 5.86_871.1536m/z 871.1535606 5.86 361.6056 476.0409 334.4865 294.4552 376.6736 312.7409 5.87_119.0492m/z 119.0492222 5.87 223.1777 268.7241 243.4809 216.8188 215.0545 223.3286 C8H8O2 Phenylacetic acid Phenylacetic acid 30745 MEDIUM 5.87_121.0663m/z 121.0663174 5.87 169.4618 162.1442 157.0923 154.2802 131.3180 154.0905 5.87_213.0926m/z 213.0925752 5.87 9081.1639 9711.1676 9317.6033 9325.8778 9147.5412 9355.2198 5.87_344.2002m/z 344.2001618 5.87 1359.0564 1516.5134 1441.6967 1457.0466 1327.8055 1371.3121 5.87_371.1384m/z 371.1383666 5.87 6129.3219 6374.1542 6167.9095 6282.1110 6014.4774 6153.0056 5.87_389.1232m/z 389.1232128 5.87 2737.8872 2781.3240 2893.3754 2769.7270 2831.8230 2817.1098 5.87_478.2055m/z 478.2054541 5.87 8243.6806 9763.6426 8910.7361 8954.6043 8870.1533 8912.5967 5.88_258.1023n 241.0990137 5.88 8857.4272 8683.5017 8729.5898 8854.7013 8452.7196 8557.7206 5.88_332.1104m/z 332.1104234 5.88 1254.9521 1399.3256 1360.1040 1371.4528 1348.4546 1319.5852 5.89_302.1954m/z 302.1954322 5.89 36093.0848 41669.4583 37978.8539 39167.1125 38478.9966 39075.0006 5.89_346.2190m/z 346.2189566 5.89 813.5895 916.4854 803.2176 845.5826 800.3753 787.9731 5.89_518.2327m/z 518.2327339 5.89 1892.4837 2196.9432 1987.8966 1959.8120 1983.8520 1986.4603 5.91_136.9314m/z 136.9313961 5.91 1021.7788 731.5883 913.2071 805.7027 855.0136 863.5606 5.91_185.1256m/z 185.1255658 5.91 784.8742 811.5345 867.4984 812.8981 858.9508 807.4912 5.91_406.1438m/z 406.1438212 5.91 2847.0784 3180.0916 2863.6526 3113.4247 2945.0795 2793.2679 5.92_190.0821m/z 190.0820849 5.92 723.3303 819.1841 737.8565 792.6232 720.1150 744.8169 5.92_234.0594m/z 234.0594262 5.92 2191.1482 2398.8312 2295.3285 2285.0648 2195.9330 2311.7566 C13H14O5 Citrinin Citrinin 48707 MEDIUM 5.92_351.0444m/z 351.0443992 5.92 1076.9718 1115.5380 1091.2214 1105.8650 1044.0115 1087.2293 C17H12O7 Aflatoxin G MEDIUM 5.93_142.0188m/z 142.0187936 5.93 1787.4822 1574.0880 1633.7329 1687.6223 1620.1812 1627.2919 5.93_242.0154m/z 242.015374 5.93 506.0237 434.4983 514.2220 474.5435 520.3819 495.5864 5.93_362.2104m/z 362.2104086 5.93 1785.0726 2127.4583 1848.0211 1939.0454 1813.9440 1942.9782 5.93_423.2210m/z 423.2209837 5.93 258.4381 258.8517 321.4181 271.9025 274.2933 276.0891 5.93_522.1524m/z 522.1524416 5.93 7962.3574 9179.8798 8602.7763 8494.8441 8438.5290 8606.3554 5.93_579.1599m/z 579.1598516 5.93 3871.6895 4265.8278 3906.9956 3997.9598 3886.1577 3873.1169 5.95_197.1278m/z 197.1278396 5.95 1189.8273 1365.0732 1205.7479 1305.3258 1217.7441 1246.9217 C10H18N2O3 Dethiobiotin Dethiobiotin HMDB03581 MEDIUM 5.95_726.3401m/z 726.3400867 5.95 95.4187 171.8502 110.2553 151.5464 134.6993 134.0503 5.96_147.0444m/z 147.0444096 5.96 1660.6531 1842.8526 1744.8145 1755.6868 1699.8962 1806.1730 C9H6O2 Coumarin Coumarin 28794 MEDIUM 5.96_160.0709m/z 160.0709076 5.96 1744.3940 1801.4063 1705.2509 1902.4316 1707.7473 1852.5244 5.96_244.0600m/z 244.0600424 5.96 1026.0587 1264.2541 1075.5844 1192.2243 1054.3408 1120.4311 5.96_325.1256m/z 325.1256256 5.96 2751.6445 2974.1661 2820.1808 2877.1750 2713.0174 2859.6711 5.96_582.7333m/z 582.7333053 5.96 673.7137 827.2458 725.3557 740.4240 775.4211 761.2490 5.97_107.0492m/z 107.049248 5.97 410.9732 454.0064 363.6755 435.3031 401.8418 369.3614 C7H8O2 4-Methylcatechol 4-Methylcatechol HMDB00873 HIGH 5.97_113.0200m/z 113.0200249 5.97 470.7868 390.3292 449.0784 465.4595 426.6855 443.1643 C5H7NO3 Pyroglutamic acid Pyroglutamic acid 18183 MEDIUM 5.97_135.0442m/z 135.0442425 5.97 4031.7530 4375.4165 4153.1673 4194.1496 4153.8412 4229.8249 C8H8O3 Ortho-Hydroxyphenylacetic acid Ortho-Hydroxyphenylacetic acid HMDB00669 HIGH 5.97_248.0251m/z 248.0251019 5.97 1867.9928 1775.9401 1835.5331 1810.0475 1766.0409 1839.0988 5.97_480.2293m/z 480.229282 5.97 899.1440 937.2439 903.6755 902.6388 891.4442 916.7424 5.97_682.3858m/z 682.3858208 5.97 1419.7108 1861.2933 1566.5455 1600.8024 1528.9465 1608.5742 5.97_77.0387m/z 77.03872353 5.97 97.0891 96.8331 110.8311 89.9790 96.7136 99.1587 C6H6O Phenol Phenol 15882 MEDIUM 5.98_198.1474m/z 198.1474186 5.98 501.5017 476.5996 547.9302 475.8370 552.2848 515.2676 5.98_246.1692m/z 246.1691962 5.98 720.6071 866.7364 785.2176 831.9112 771.3491 790.5378 5.98_411.0747m/z 411.0746761 5.98 3505.2249 3619.5345 3517.4047 3575.4028 3431.8190 3448.8674 5.98_574.7517m/z 574.7516617 5.98 105.2887 116.8047 122.2449 116.9028 107.2235 103.6274 5.98_585.7419m/z 585.7418701 5.98 255.7196 278.7584 285.4935 270.0114 280.6719 271.2415 5.98_781.1425m/z 781.1425449 5.98 410.6828 539.1612 395.5258 473.9998 432.2362 420.3064 5.99_183.0581m/z 183.058098 5.99 986.6524 956.1589 948.1414 972.7903 957.7733 989.3599 5.99_216.5326m/z 216.5325723 5.99 26.0590 15.5691 20.8173 34.7550 28.0345 18.3603 5.99_302.1277n 303.093952 5.99 15440.1434 15775.9750 15409.1598 15666.5453 15359.3010 15396.1177 5.99_415.2197m/z 415.2196782 5.99 321.1259 421.8437 370.5410 338.2680 370.2199 381.9666 5.99_419.0035m/z 419.0035065 5.99 1121.4339 1040.5608 1133.2069 1048.3300 1077.1670 1133.8886 5.99_421.0008m/z 421.000831 5.99 1151.4811 1032.7894 1094.7016 1141.8318 1062.0316 1132.2155 5.99_422.9998m/z 422.9998323 5.99 854.7818 750.7270 804.3385 831.5099 823.0691 851.6571 5.99_831.1484m/z 831.1484495 5.99 279.0526 360.8336 337.9125 316.3744 309.2901 316.3458 5.99_847.1442m/z 847.1441937 5.99 166.0985 274.2325 222.6543 209.2411 171.2277 202.3627 5.99_851.1405m/z 851.1404574 5.99 230.1793 270.1888 197.7080 268.9059 272.8734 278.4531 6.00_168.0552m/z 168.055194 6.00 1994.2853 1993.1106 1940.9990 2029.5176 1964.8471 2017.2270 6.00_168.5558m/z 168.5557846 6.00 100.3444 102.6863 102.2684 113.3314 110.6959 107.0681 6.00_197.5583m/z 197.5582763 6.00 380.4092 418.9140 381.7928 418.8079 384.2809 416.2552 6.00_209.0786m/z 209.0786133 6.00 3515.9650 3223.0024 3363.0140 3526.6613 3359.1713 3461.3455 6.00_295.1144m/z 295.1144464 6.00 15274.8479 12012.6770 13804.4251 14803.3772 13425.0625 13956.6933 C15H21NO6 Domoic acid Domoic acid MEDIUM 6.00_339.1888m/z 339.1887536 6.00 3270.0105 3215.9384 3438.9250 3395.7177 3626.7640 3354.2607 6.00_354.1499n 377.1408551 6.00 94440.7005 113342.0672 99986.4084 101814.3074 103332.6353 103835.5129 6.00_392.0966n 393.1038979 6.00 34559.7408 35300.5250 35188.7624 36002.6005 35698.2322 36763.9284 6.00_399.1220m/z 399.1219874 6.00 2402.8692 2288.5841 2372.5876 2507.5349 2375.0359 2495.2032 6.00_425.1094m/z 425.109394 6.00 2052.1811 2208.2455 2006.2850 2223.4297 1990.7461 2106.2870 6.00_563.7596m/z 563.7596454 6.00 443.4069 580.3326 556.4421 527.4430 536.9296 548.8956 6.00_827.1504m/z 827.1504018 6.00 335.1608 453.4707 303.3627 343.7582 220.7181 293.1382 6.00_855.1481m/z 855.1480636 6.00 276.0432 338.9842 259.0800 144.0209 229.2676 312.8698 6.01_148.1110m/z 148.1109518 6.01 304.4790 290.3367 236.4136 291.1165 295.9613 250.7833 C10H15NO Ephedrine Ephedrine 15407 MEDIUM 6.01_293.5611m/z 293.5610777 6.01 43.2943 50.5938 38.2944 14.1658 43.5058 21.7267 6.01_408.2215m/z 408.2214845 6.01 925.7992 1059.9296 950.5932 951.4674 927.2807 941.5307 6.01_464.1843m/z 464.1843219 6.01 1209.1860 1228.9169 1218.5597 1237.5086 1211.2205 1219.1167 6.01_760.1454m/z 760.1454252 6.01 1505.8673 1769.9962 1499.7924 1571.7619 1504.8687 1646.4671 6.01_906.1484n 907.1557167 6.01 448.4539 593.2222 449.5865 507.6098 435.4281 418.3244 6.02_103.0395m/z 103.0395402 6.02 590.1093 661.7590 610.8928 604.0931 579.5085 616.8800 6.02_117.0343m/z 117.0343337 6.02 657.5520 653.1075 594.3175 638.1662 606.9745 633.7680 6.02_145.0290m/z 145.0289636 6.02 5157.1173 5536.9822 5066.9212 5170.1983 5065.8048 5137.2580 6.02_149.0608m/z 149.0607703 6.02 4005.4092 4737.8201 3922.4434 4364.2798 3814.2656 4180.3546 6.02_162.1273m/z 162.127332 6.02 113.4884 97.1311 123.6169 83.4679 110.0457 110.1027 6.02_170.0471m/z 170.0471258 6.02 1185.0468 1286.7564 1163.6860 1188.2494 1167.7752 1218.0465 6.02_172.5350n 190.5687787 6.02 470.8717 466.3053 429.8513 465.6748 451.1570 479.6670 6.02_177.0551m/z 177.0551063 6.02 22411.7675 24236.5022 22374.6607 22868.0394 22573.0650 22619.2111 C10H10O4 Monoethyl phthalate 70973 MEDIUM 6.02_198.0529m/z 198.0529122 6.02 3296.2291 3180.0830 3213.3944 3216.9220 3303.7159 3315.7358 C10H9NO2 Indoleacetic acid Indoleacetic acid HMDB00197 HIGH 6.02_239.5419m/z 239.5419137 6.02 25.0310 24.2159 31.8451 28.7108 23.5840 28.1279 6.02_247.5631m/z 247.5630501 6.02 79.8567 85.6456 81.8040 94.7687 89.8784 77.4719 6.02_260.0233m/z 260.0233097 6.02 1480.6097 1388.7947 1376.4760 1464.9458 1337.6766 1475.0691 6.02_283.5595m/z 283.5595323 6.02 112.5716 117.5408 107.9554 131.4170 145.2346 112.8655 6.02_316.0815m/z 316.0814618 6.02 1278.3237 1293.8361 1288.5633 1304.2956 1263.3795 1308.9532 6.02_330.0288m/z 330.0288087 6.02 2306.5873 2221.7056 2120.0102 2260.4026 2122.7491 2193.0884 6.02_340.1705n 363.1615851 6.02 103630.0303 116334.6351 109257.9993 109711.5246 111772.1831 112643.4631 6.02_351.5821n 335.5804295 6.02 88.2545 102.3205 66.3810 86.5060 92.3387 88.6197 6.02_371.0833m/z 371.083256 6.02 1489.0403 1524.0511 1489.7480 1559.0729 1443.5856 1524.3914 6.02_371.5765m/z 371.5765457 6.02 196.4761 194.0973 163.3003 189.0373 174.6218 188.9559 6.02_374.0841m/z 374.0841011 6.02 29746.0445 30889.8723 30182.7932 30469.0118 30463.8055 31016.4747 6.02_390.0510m/z 390.0509573 6.02 6654.4422 6292.5055 6416.8031 6583.4999 6328.6093 6517.4189 6.02_405.0165m/z 405.0165205 6.02 2567.8844 2526.6772 2512.7740 2526.2772 2403.5313 2540.5271 6.02_447.1104m/z 447.1103611 6.02 3495.4380 3598.1995 3548.9733 3524.7657 3519.5613 3486.5965 6.02_518.2335m/z 518.2335459 6.02 1803.2319 2048.1641 1860.2325 1948.9068 1868.7095 1915.2835 C27H32O9 Verrucarin B MEDIUM 6.02_546.6222m/z 546.6222279 6.02 222.9441 237.4709 207.4511 230.1127 227.5560 210.5738 6.02_642.1554m/z 642.155428 6.02 6766.7159 7608.6506 7031.2699 7071.4113 6910.1195 6929.4917 6.02_716.1510m/z 716.1509756 6.02 516.3517 732.8884 448.0374 665.7389 485.6072 635.9085 6.02_725.1748m/z 725.1748067 6.02 1753.5235 1926.7759 1802.4418 1785.3507 1788.3580 1837.2942 6.02_839.1311m/z 839.1310755 6.02 601.0737 664.2257 647.4320 559.4083 570.9779 630.1736 6.02_877.1497m/z 877.1496934 6.02 357.3198 451.1940 306.3989 292.2172 304.8194 315.4511 6.02_892.1890m/z 892.1890042 6.02 341.1425 455.6301 351.5668 425.4810 396.2238 440.0150 6.02_992.2175m/z 992.2174945 6.02 431.5338 522.5868 377.3591 406.4958 414.5935 398.6624 6.04_251.5772m/z 251.5771517 6.04 70.5768 97.5010 95.3804 102.8416 81.1854 82.6552 6.04_283.9892m/z 283.9892072 6.04 110.1400 80.2539 131.9692 94.9117 135.2136 112.5184 6.04_318.0550n 319.0625806 6.04 1639.2667 1632.1769 1558.2206 1680.1649 1587.3425 1645.9167 6.04_327.0860m/z 327.0859665 6.04 821.0568 830.5861 998.7878 832.8257 921.2875 866.4681 6.04_339.0949n 340.1021305 6.04 4494.2709 4481.3188 4750.6016 4368.0920 4798.4797 4640.2539 6.04_339.5904m/z 339.590413 6.04 50.7127 64.6973 55.2896 52.7518 45.5538 55.5645 6.04_346.2201m/z 346.2201044 6.04 2384.2073 2689.8813 2518.8008 2708.9939 2437.7686 2552.9679 6.04_367.6404m/z 367.6404153 6.04 83.3102 101.9760 103.8540 129.7647 115.2947 107.0994 6.04_432.1279m/z 432.1278954 6.04 7174.7010 7465.8519 7332.9906 7368.9495 7256.1848 7256.7604 6.04_501.1466m/z 501.1465863 6.04 925.7294 985.3774 974.6219 929.0659 971.8895 966.0748 6.04_504.2209m/z 504.2209148 6.04 3836.9165 4533.4856 4222.4365 4194.3347 4252.1305 4442.4653 6.04_774.3580m/z 774.3579587 6.04 445.7389 699.1044 518.4871 567.5828 606.0545 534.2516 6.04_86.0969m/z 86.09689222 6.04 544.8970 599.1730 579.3515 593.0994 581.9712 597.6081 6.05_133.0871m/z 133.0871211 6.05 2666.7771 2740.9849 2677.6340 2776.5170 2698.0163 2707.1478 6.05_161.5663m/z 161.5663477 6.05 106.9282 120.3019 110.2879 118.1273 112.6804 130.7774 6.05_177.1119m/z 177.1118737 6.05 689.7106 737.4313 701.0698 709.4793 696.9750 764.6612 C8H18O5 Tetraethylene Glycol Tetraethylene glycol 44920 MEDIUM 6.05_200.1639m/z 200.1638573 6.05 133.4296 153.6153 173.0629 170.7627 151.2687 158.4663 6.05_218.1746m/z 218.17455 6.05 311.8626 297.4276 320.9933 311.8528 322.2713 336.6169 6.05_235.0532m/z 235.0532195 6.05 1985.9639 2061.7890 2053.4782 2027.6131 2083.2847 2179.2565 6.05_275.1442m/z 275.1441568 6.05 1913.8831 1987.1359 1441.4442 1999.2230 1459.6034 1814.9984 6.05_385.1435m/z 385.1434956 6.05 4232.0395 3514.4146 3821.9153 3902.8659 3807.8739 3895.5007 6.05_521.8977m/z 521.8977497 6.05 200.3152 158.0410 193.8890 178.5451 136.4976 170.9085 6.05_716.1890m/z 716.1890337 6.05 3351.0879 4089.9242 3833.4492 3654.3057 3765.2520 3715.3711 6.05_762.8674m/z 762.8674159 6.05 1210.6060 1600.1300 1424.3182 1391.9056 1516.6997 1505.7551 6.05_763.3681m/z 763.3681111 6.05 863.4023 1133.5148 909.2545 932.0006 1014.7988 1043.7529 6.05_781.8403m/z 781.8403423 6.05 246.3314 366.6078 273.8915 255.7349 319.4157 244.1781 6.05_89.0600m/z 89.05997908 6.05 311.2543 333.5796 314.6607 317.6240 310.6222 306.5076 C4H8O2 "1,4-Dioxane" 47032 MEDIUM 6.06_183.0778m/z 183.0777802 6.06 8753.1687 8655.1732 8892.3993 9061.6183 8817.2965 9078.5857 6.06_183.5794m/z 183.5793811 6.06 954.1237 974.2727 1011.8250 1062.6939 992.8291 1049.2597 6.06_231.5494m/z 231.5494262 6.06 93.7081 66.1014 77.5856 85.5064 54.3534 72.5145 6.06_250.0864m/z 250.0863745 6.06 8108.4105 8283.3200 7975.5000 8161.0597 7728.2615 8088.9348 6.06_326.1935n 349.1832663 6.06 150833.9193 164888.5728 161412.7007 163488.9770 163716.4924 166708.7263 6.06_521.5639m/z 521.5638671 6.06 357.5611 324.1286 363.5125 337.5115 346.3383 314.5904 6.06_773.8578m/z 773.8577875 6.06 687.8546 943.2354 808.8698 786.1592 873.1864 906.8117 6.07_155.0646m/z 155.0646179 6.07 3982.7501 3667.6497 3728.4534 3857.1884 3678.9001 3775.8582 6.07_207.0265m/z 207.0264689 6.07 1894.8838 1817.2792 1951.9041 1771.5685 1935.7677 1894.0237 6.07_211.0276m/z 211.0275565 6.07 1045.4062 974.3342 982.8420 992.4751 1001.2291 989.6266 6.07_222.9912m/z 222.9911775 6.07 136.2981 104.3079 110.0933 105.4923 134.0722 122.9335 6.07_562.1564m/z 562.1564148 6.07 5714.0109 6143.2438 5746.6993 5807.3619 5768.3272 5754.2995 6.07_81.0704m/z 81.07044289 6.07 88.6965 84.0401 59.9951 86.6729 73.5703 75.9007 C6H10O 2-Hexenal MEDIUM 6.08_237.1565m/z 237.1564635 6.08 932.4977 909.1308 987.5228 977.7559 1022.1648 981.9499 6.09_185.1265m/z 185.126456 6.09 973.5673 904.6321 1000.4459 906.6865 965.4263 1018.8435 6.09_223.0920m/z 223.0919813 6.09 3718.2224 3446.9991 3606.2000 3576.8613 3602.6709 3675.4604 6.09_399.1204m/z 399.120448 6.09 4702.0913 5134.0497 5002.0778 4827.9861 4873.5564 4932.8070 C32H14 Ovalene 33091 MEDIUM 6.09_406.0835m/z 406.0835161 6.09 1576.2845 1607.9783 1577.3591 1580.3263 1539.1107 1568.6443 6.10_239.0888m/z 239.088754 6.10 3136.9895 2793.8642 3137.4699 3068.6340 3100.7189 2999.5628 6.10_271.0640m/z 271.0640136 6.10 1923.2454 1794.4456 2023.6684 1846.5339 2031.4132 1904.8941 6.10_300.1169n 283.1135822 6.10 5286.3482 5068.2280 5424.7370 5233.0615 5302.1961 5248.1541 6.10_334.1638m/z 334.1638133 6.10 553.4706 593.6626 682.4411 618.6614 649.8294 614.2082 6.10_621.1571m/z 621.1570832 6.10 2703.5458 3053.7013 2788.8011 2873.6025 2758.8770 2834.0496 6.10_826.8925m/z 826.8924561 6.10 158.4628 248.6653 184.4616 130.7441 178.2978 224.2518 6.10_827.3954m/z 827.3954187 6.10 14.8498 149.0094 185.5181 113.3091 191.1439 178.8743 6.11_152.1203n 153.1275986 6.11 672.9825 672.6337 680.4404 705.1941 709.0333 721.0153 C10H16O cis-Citral 29020 MEDIUM 6.11_153.0577m/z 153.0577036 6.11 10964.7593 11028.9640 10719.1240 10985.2853 10708.9559 11036.5610 6.11_174.0552m/z 174.0551908 6.11 2612.6317 2521.0326 2599.2447 2493.7858 2607.1241 2626.6530 6.11_176.9642m/z 176.9641614 6.11 172.1395 137.1330 184.6566 133.1683 168.8089 169.1880 6.11_189.0108n 190.0170394 6.11 603.6001 537.4724 578.4117 513.4388 548.3404 565.6257 6.11_207.0988m/z 207.098794 6.11 2911.9726 2283.8377 2643.7991 2589.6809 2642.5875 2681.3905 6.11_233.0003n 234.0071895 6.11 8858.2010 7672.1280 8420.1478 8343.1853 8404.2064 8433.4769 6.11_235.0453n 218.041995 6.11 6189.4390 5590.4601 5920.0047 6002.5326 5793.1459 5970.3087 6.11_262.9891n 264.0375012 6.11 1029.2473 876.9423 970.9405 886.8638 920.8307 935.6948 6.11_269.0907m/z 269.0906735 6.11 10006.9700 9647.6023 9851.3100 9869.0764 9606.5547 9777.1252 6.11_273.1000m/z 273.0999892 6.11 3124.8624 3115.7785 2931.3613 3165.9099 2933.4752 3116.9631 6.11_275.9929n 294.0451396 6.11 1742.1483 1623.9784 1636.7388 1611.1144 1659.7877 1653.1954 6.11_280.0139m/z 280.0138701 6.11 1359.7706 1057.8146 1216.2942 1205.2832 1212.9567 1179.1489 6.11_294.9766m/z 294.9765547 6.11 460.4763 335.8432 446.5910 416.4285 418.5664 413.5586 6.11_325.1887m/z 325.1886564 6.11 1128.7667 1151.4134 1673.2151 1360.1779 1398.0148 1315.9538 6.11_353.0867m/z 353.0866716 6.11 3136.6193 3228.7223 3201.4417 3249.5063 3196.8198 3234.4975 6.11_560.2269n 583.2169744 6.11 13683.3945 16424.4636 14593.1379 14889.1959 14805.2293 14636.1237 6.11_65.0391m/z 65.03914426 6.11 105.6865 87.5180 124.8678 99.3126 116.4492 107.8156 6.12_110.0372n 93.03388327 6.12 675.7477 676.6023 654.1735 666.5123 637.8964 645.9216 6.12_121.0288m/z 121.0287669 6.12 12402.5141 12461.3946 12432.1084 12576.5229 12426.2743 12682.2182 C7H6O3 4-Hydroxybenzoic acid 4-Hydroxybenzoic acid HMDB00500 HIGH 6.12_162.0831n 146.0605052 6.12 7458.4395 7670.9611 7732.0561 7653.0877 7788.9358 7611.9471 C6H15AlO3 Aluminum ethylate MEDIUM 6.12_247.9939n 266.0268107 6.12 605.7945 462.7978 628.3203 560.0488 564.4923 578.5688 6.12_308.0139n 309.03849 6.12 730.4563 692.8894 700.2659 714.2674 686.1106 767.8877 6.12_317.2133m/z 317.213312 6.12 24.0122 20.9925 21.0503 30.0223 30.3455 35.0948 6.12_318.2258m/z 318.2258062 6.12 382.1430 532.2829 462.3368 465.7312 502.2114 459.0543 6.12_425.0649m/z 425.0648537 6.12 2351.4358 2240.8410 2326.2849 2166.1528 2333.5278 2253.1748 6.12_429.0597m/z 429.0596686 6.12 4735.2455 4643.3158 4694.2065 4689.6674 4611.7591 4598.6962 6.12_432.0769n 450.1198503 6.12 11261.2628 11575.9335 11273.3390 11322.1965 11177.4936 11301.4301 6.12_444.0247m/z 444.0247434 6.12 3223.0922 3187.4365 3185.4125 3058.1929 3075.9589 3163.0915 6.12_453.0304m/z 453.0303804 6.12 1151.4717 1052.2152 1132.7053 1025.0821 1130.6947 1079.4087 6.12_564.5819m/z 564.5818967 6.12 57.9429 76.3169 52.5481 58.8302 34.4914 44.1196 6.12_569.2391m/z 569.2391122 6.12 6853.3291 8007.2673 7286.9341 7493.6205 7238.2277 7494.1111 6.12_585.1043m/z 585.1043219 6.12 1947.3596 2139.2801 1953.4246 2080.4436 1909.1447 2010.3960 6.13_160.0427m/z 160.0426974 6.13 581.9305 591.8153 566.5477 616.2499 575.6599 597.1001 6.13_756.1812n 740.1586363 6.13 5118.7824 5945.6728 5332.4428 5324.2792 5260.5308 5295.2978 6.14_105.0339m/z 105.0338885 6.14 310.8113 309.7767 271.5514 290.7589 308.0298 294.2359 C7H6O2 Benzoic acid Benzoic acid 30746 MEDIUM 6.14_182.1282m/z 182.1281838 6.14 2071.6298 2155.8941 2091.5700 2149.2522 2084.0022 2065.5672 6.14_289.1306n 290.1432519 6.14 723096.3040 748913.1060 759452.7498 777348.6816 778305.4718 790508.3160 6.14_290.2784m/z 290.2784284 6.14 33506.3266 37398.5011 35587.3975 36243.4453 36142.6564 35006.5554 6.14_290.3234m/z 290.3233579 6.14 11450.3312 13096.1693 11908.6722 11756.9380 11667.9075 10226.6671 6.14_290.3693m/z 290.3693334 6.14 9347.3662 10641.7034 9942.3905 9877.9943 10014.6933 10339.3160 6.14_291.6051m/z 291.605143 6.14 459.3302 717.7186 537.6197 528.3625 496.7075 507.0164 6.14_798.2715m/z 798.271531 6.14 846.7964 837.5496 1010.3513 869.4005 956.9035 882.9123 6.14_812.2647m/z 812.2647216 6.14 1237.0834 1105.4341 1225.2778 1158.6774 1209.9930 1214.5061 6.14_82.0657m/z 82.0656572 6.14 433.0088 470.2806 445.1456 474.6487 442.9648 439.4141 C5H9NO 1-Methyl-2-pyrrolidone MEDIUM 6.14_826.2230n 849.1948792 6.14 1852.9873 2359.9964 1956.4784 2093.3668 1992.6416 2084.7624 6.14_83.0747m/z 83.07470368 6.14 195.2871 216.5745 169.9688 197.9985 183.0466 210.7282 6.14_834.2752n 835.1892728 6.14 1997.0682 2303.2498 1982.0207 1927.8225 1997.0409 2044.5532 6.14_858.2056m/z 858.2056212 6.14 837.5307 979.2459 838.4638 863.0405 863.2127 752.0196 6.14_864.1805n 887.1699239 6.14 1205.0796 1417.9075 1118.8676 1144.7949 1217.8802 1174.3458 6.14_896.1818m/z 896.1818482 6.14 1036.9565 1312.5789 897.9078 1006.3979 960.8658 1017.5152 6.14_93.0702m/z 93.07024358 6.14 491.2844 474.1447 486.0213 487.3944 481.1489 476.4791 6.14_941.1958m/z 941.1958413 6.14 1108.6524 1197.8030 1090.1927 1182.7700 1011.7816 1031.4212 6.15_119.0493m/z 119.0493397 6.15 776.4926 832.3037 800.6883 763.1366 800.6919 811.2747 C8H8O2 Phenylacetic acid Phenylacetic acid 30745 MEDIUM 6.15_124.1122m/z 124.1122135 6.15 549.8292 485.0585 569.0358 515.9249 539.2867 530.5241 C8H10 Ethylbenzene 16101 MEDIUM 6.15_167.0923n 168.1022533 6.15 40761.0601 43150.1674 41818.9036 42570.1213 42115.0879 43299.6570 6.15_309.6121m/z 309.612116 6.15 101.5105 86.4989 108.4267 115.8936 104.9276 103.7972 6.15_328.0931m/z 328.0931057 6.15 2102.0256 1823.8248 1939.8992 2016.0130 1958.3038 1976.3509 6.15_453.6765m/z 453.6764831 6.15 780.9569 647.6215 742.9980 742.0495 739.5425 794.5667 6.15_518.2362m/z 518.2362213 6.15 2965.2702 3235.1821 3228.0971 3040.7793 3227.7797 3096.2052 C27H32O9 Verrucarin B MEDIUM 6.15_598.7435m/z 598.743484 6.15 172.1809 172.1329 170.0639 170.2357 162.8675 184.4849 6.15_601.2520m/z 601.2520324 6.15 62344.8857 47981.9114 55693.0588 56664.3446 56739.2970 56894.2661 6.15_663.2090m/z 663.2089636 6.15 1004.4239 942.3759 968.5461 926.7959 960.6474 988.2744 6.15_677.1584m/z 677.1583892 6.15 1580.2762 1451.8024 1556.9040 1541.2241 1567.4680 1514.3307 6.15_679.1571m/z 679.157125 6.15 2566.7160 2326.4286 2487.2984 2367.0814 2479.6980 2439.9274 6.15_868.2392n 869.2464689 6.15 1454.6983 1653.6567 1778.0576 1482.3998 1819.2162 1574.4515 6.15_908.2094m/z 908.2093908 6.15 872.0792 1046.6727 867.0205 886.3198 738.2510 876.1433 6.15_916.1835m/z 916.1835479 6.15 880.6753 1053.7737 952.9812 845.3521 1015.8387 928.5142 6.15_929.3047n 930.3119579 6.15 6053.1816 5322.6151 5878.8358 5354.9989 5614.6369 5589.4819 6.15_939.3179n 922.3145881 6.15 2559.7175 2656.6268 2599.2486 2387.5751 2691.1479 2658.5282 6.15_965.2817n 966.2889759 6.15 3761.6966 3556.9865 3733.2345 3681.1276 3588.4538 3591.4348 6.15_967.2805n 968.2877711 6.15 8096.7319 7476.3512 7918.6855 7660.6957 7938.1164 7785.6449 6.16_102.0553m/z 102.0553363 6.16 55.4520 76.9880 82.4291 45.0795 67.7993 68.1327 C4H9NO3 L-Threonine Threonine 16857 MEDIUM 6.16_312.1207m/z 312.1206827 6.16 142820.3258 114226.0653 131218.2936 134329.2191 132856.9938 134672.9876 6.16_312.2647m/z 312.2647372 6.16 787.4166 324.8752 611.3357 480.3355 535.1637 443.6643 6.16_577.2012m/z 577.201164 6.16 1810.4362 1975.2013 1965.7961 1879.6214 1931.1708 1862.3727 6.16_701.1429m/z 701.1429253 6.16 1095.5779 987.7602 1018.8240 1031.5616 961.4459 1036.5394 6.16_914.1893m/z 914.1893038 6.16 325.9054 418.0030 321.5279 276.4814 320.7568 383.2730 6.17_275.0827m/z 275.0827021 6.17 9422.6159 8745.1288 9274.0647 9213.2747 9200.3840 9383.6195 C20H12 Benzo[b]fluoranthene 34565 MEDIUM 6.17_297.0879m/z 297.0878699 6.17 4775.5639 4685.6588 4813.5556 4842.1236 4750.7033 4753.3831 C16H12N2O4 "3,3'-Dimethoxybenzidine-4,4'-diisocyanate" MEDIUM 6.17_304.0491m/z 304.0491057 6.17 2069.2012 2048.7461 2026.7363 2093.7750 2009.2287 2056.3199 6.17_564.2117m/z 564.2117229 6.17 1645.1923 1497.7044 1642.0020 1497.4470 1639.5970 1589.8210 6.17_84.0450m/z 84.04503268 6.17 103.8629 104.2073 119.3412 101.4224 108.4848 100.5919 6.18_928.4081m/z 928.4080816 6.18 1716.3279 2200.5007 1941.4483 1978.9942 1992.4096 2101.8507 6.18_928.9118m/z 928.9118297 6.18 694.5462 1008.1159 753.0812 856.3848 839.5434 798.5274 6.19_168.5513m/z 168.551254 6.19 26.2802 19.8797 30.1936 30.1516 21.4394 41.1344 6.19_213.1103m/z 213.1103441 6.19 2069.2875 2302.4031 1781.6912 2157.9153 1863.5060 2057.1962 6.19_257.0701m/z 257.0701489 6.19 4711.7257 4757.0845 4641.4344 4647.0822 4601.6012 4641.4920 6.19_272.1853m/z 272.1852894 6.19 23973.7401 27451.5241 25159.1060 25812.0361 26128.0094 26185.7507 C19H28O2 Testosterone Testosterone 17347 MEDIUM 6.20_107.0860m/z 107.0860174 6.20 178.0779 175.4819 187.4751 182.4249 173.4560 152.3470 6.20_168.0494m/z 168.0494249 6.20 286.7789 289.8922 295.7223 308.2383 296.3459 317.8829 C4H6O6 Tartaric acid Tartaric acid 15671 MEDIUM 6.20_175.1219m/z 175.121866 6.20 1475.0917 1490.3286 1303.4090 1488.7250 1372.3550 1469.4351 C11H14N2 N-Methyltryptamine N-Methyltryptamine HMDB04370 MEDIUM 6.20_295.1143m/z 295.1143492 6.20 5972.6547 5989.7072 5661.1435 6088.8229 5713.3338 5937.5079 6.20_296.1547n 319.1253506 6.20 17951.9605 20346.4007 18280.6338 18919.4637 18627.5778 18918.7491 6.20_427.1533m/z 427.1533476 6.20 20469.0294 21197.1798 20354.9232 20659.8970 20095.1170 20535.3392 6.22_143.0771m/z 143.0771015 6.22 107.3288 117.5301 95.4419 124.6958 111.1422 108.3324 6.22_170.1541m/z 170.1540727 6.22 161.8226 153.7979 145.9718 140.0475 132.9067 148.5193 6.22_260.1310n 243.1277208 6.22 4962.7537 4910.6351 4651.3782 4798.4472 4685.3457 4864.2141 6.22_286.1315m/z 286.1315035 6.22 1774.6661 1860.8503 1683.5741 1774.7234 1697.5805 1788.0097 6.22_298.1598m/z 298.1597939 6.22 1813.9849 1720.2282 1630.7771 1730.1792 1716.4210 1702.0866 6.22_332.2059m/z 332.2058537 6.22 9488.4055 11289.1257 9768.8149 10263.8739 9933.8347 10290.2081 6.22_86.0969m/z 86.09688599 6.22 133.7237 150.6803 141.9018 126.7545 150.8573 157.0200 6.23_221.0782m/z 221.0782037 6.23 3560.2387 3615.5125 3299.6983 3540.2965 3299.1412 3536.5043 6.23_229.1042m/z 229.1042225 6.23 1940.2789 2092.6558 1850.9286 1992.4584 1835.2695 1930.4999 6.23_432.1375m/z 432.1374998 6.23 8096.0921 9008.7037 7996.2546 8520.6314 7958.0512 8439.4599 6.24_408.1585m/z 408.1585458 6.24 5715.6125 6087.4018 5881.3263 5893.7850 5803.5218 5854.7656 6.25_316.2107m/z 316.2107377 6.25 6630.9525 7754.4840 6784.0248 7157.3215 6794.5658 7174.5898 6.25_328.2094m/z 328.2094192 6.25 8429.2062 9377.9789 8427.1089 8797.3956 8729.1740 8836.7208 C22H32O3 Testosterone Propionate 290629 MEDIUM 6.25_373.1456m/z 373.1456445 6.25 2686.4805 2846.2246 2596.8978 2774.9012 2710.9642 2728.9319 6.25_378.2009n 362.0856539 6.25 12504.5277 13007.7868 12369.8729 12662.0304 12326.2820 12605.4480 6.25_778.1745m/z 778.1745064 6.25 1011.7720 1334.2653 1119.0692 1139.3534 1087.9652 1168.0037 6.26_340.1025m/z 340.1024733 6.26 9924.6981 11009.0641 10160.6671 10472.2006 10000.6599 10412.5652 6.26_378.0491m/z 378.0491393 6.26 1248.1548 1207.9609 1192.6621 1212.9735 1215.9642 1231.3498 6.26_442.1902m/z 442.1901982 6.26 1898.8690 2188.7127 1913.6311 1969.8453 1941.5670 1965.7651 6.26_705.9344n 728.9559672 6.26 516.4868 618.7532 526.6199 556.6606 563.2711 642.2893 6.26_723.6332m/z 723.6332167 6.26 406.5383 506.8721 420.5820 426.0883 470.4583 465.8294 6.26_729.6242m/z 729.6241917 6.26 275.2521 341.8300 303.7998 300.2712 295.6265 306.2285 6.26_733.6433n 716.6400127 6.26 370.6572 450.7762 350.3888 405.7377 423.4985 341.8155 6.28_214.1678n 237.1562941 6.28 1605.7201 1662.6295 1582.5102 1610.7922 1583.1522 1647.6559 6.28_260.1846m/z 260.1845849 6.28 1444.0564 1618.2409 1349.8599 1540.2220 1372.3378 1518.6863 6.28_294.1691m/z 294.1691226 6.28 573.0862 581.3169 591.5910 570.7268 561.9829 569.8657 6.28_325.1256m/z 325.1255991 6.28 2885.3217 2933.9012 2880.5510 2915.6330 2773.0864 2835.0376 6.28_393.0146m/z 393.014643 6.28 545.4378 590.4012 451.8831 540.6905 408.9387 466.0036 6.28_662.1517m/z 662.1516558 6.28 2608.7008 3089.4382 2749.0500 2775.6178 2710.0315 2751.7385 6.29_120.0576n 121.0652154 6.29 1646.8716 1629.2221 1636.7575 1602.7493 1680.0467 1643.4571 6.29_124.0523n 147.0439333 6.29 1006.2671 1084.6900 1012.6247 1080.9228 1067.5284 1040.5810 C7H8O2 4-Methylcatechol 4-Methylcatechol HMDB00873 HIGH 6.29_178.5040m/z 178.504026 6.29 19.2928 37.2589 27.4347 23.8666 26.0105 35.4279 6.29_231.0094n 249.0758482 6.29 4640.0106 4674.0804 4597.4438 4545.9295 4432.4944 4636.9761 6.29_331.5708m/z 331.5708158 6.29 142.5881 253.5508 194.3291 237.9118 223.1256 198.1578 6.29_354.5748n 338.5594321 6.29 116.5413 197.5613 132.0677 130.3968 150.0214 184.9113 6.29_465.5883m/z 465.5883135 6.29 91.7103 98.6644 77.0233 100.4284 105.5699 96.7324 6.29_473.6028m/z 473.6027801 6.29 37.7406 85.1909 97.9490 71.2360 62.4353 71.9718 6.29_517.1854m/z 517.1853732 6.29 973.5804 1103.5063 959.1507 1056.1707 972.8573 1017.2975 6.29_556.6941m/z 556.6940834 6.29 74.8930 121.3764 120.7231 121.7521 157.4392 113.9690 6.29_565.1820m/z 565.1819534 6.29 4372.9986 4952.6584 4562.6036 4611.8303 4577.9328 4566.1488 6.29_565.6986m/z 565.6986466 6.29 222.3404 371.6624 265.5861 291.8351 292.1073 321.2236 6.29_837.1500m/z 837.1499528 6.29 608.5160 893.5247 638.2519 734.1913 806.1454 685.5945 6.29_862.1790n 846.1564344 6.29 1879.3420 2445.7334 1996.5304 2031.0847 1986.6966 1959.2175 6.29_874.1850n 875.2324804 6.29 3276.5268 4134.2008 3560.5457 3533.8176 3421.5687 3609.7652 6.29_897.1716n 915.1845632 6.29 3110.0769 4228.2984 3397.0506 3448.5983 3416.3659 3484.6076 6.29_90.0237n 113.021528 6.29 622.8362 540.3308 566.2661 574.9060 525.2896 563.1879 6.29_952.1371n 935.1797132 6.29 3711.4843 4728.4909 4221.4942 4264.8337 3868.4813 4285.1281 6.29_989.1675m/z 989.1674576 6.29 489.4070 650.6196 533.5588 576.2341 533.8463 556.0142 6.29_993.1917n 977.1691039 6.29 936.7159 1081.0942 877.6315 929.9413 920.1802 865.4184 6.30_105.0701m/z 105.0700725 6.30 323.4514 367.5569 339.4878 372.9691 344.3272 334.1193 6.30_142.9918n 161.0573761 6.30 988.0042 924.6115 922.2520 966.0699 888.4129 928.5829 6.30_150.0667n 173.0602345 6.30 4852.9287 4817.5395 4673.4897 4761.9451 4701.8425 4818.5100 6.30_157.0636m/z 157.0636148 6.30 3059.2335 2950.7110 2919.1369 3006.5599 2925.5829 2970.5173 6.30_175.0747m/z 175.0746971 6.30 2762.1572 2815.4400 2684.6903 2793.1517 2776.9005 2810.5751 6.30_184.0877n 185.0662767 6.30 5640.2926 5670.4001 5461.8257 5556.9015 5369.5438 5590.6786 6.30_187.0774m/z 187.0774417 6.30 3629.2891 3438.3761 3460.3014 3485.1172 3406.4074 3479.5819 6.30_195.0054n 213.0545132 6.30 3563.3970 3521.7190 3390.2235 3392.9939 3341.4288 3514.7243 6.30_198.0133n 199.0217777 6.30 11743.4329 11871.2126 11785.6722 11967.7547 11947.1749 11974.3328 6.30_201.9563m/z 201.9563458 6.30 448.1795 338.8614 505.4797 359.1000 359.0232 419.6157 6.30_241.5376m/z 241.5376497 6.30 110.8537 108.3715 93.5601 121.0797 130.2947 118.2090 6.30_245.0134m/z 245.0133557 6.30 476.4060 360.2414 416.8950 403.4145 406.0552 383.9469 6.30_249.5370n 250.5424455 6.30 307.8320 355.4079 330.3914 326.0905 328.0939 337.0977 6.30_260.9915m/z 260.9915282 6.30 4031.6914 3610.9802 3908.8957 3879.5367 3782.3396 4001.0277 6.30_284.9576m/z 284.9575593 6.30 586.5369 556.6709 584.0251 579.4316 595.8082 600.1874 6.30_286.5249n 304.5709571 6.30 556.7564 690.3123 627.9756 558.9956 650.0405 634.2601 6.30_288.9543m/z 288.9543435 6.30 347.8550 313.8361 347.5887 329.3143 358.8439 306.2432 6.30_304.0731m/z 304.0730636 6.30 5582.6362 6126.1781 5689.4354 5787.0685 5766.7263 5899.9066 6.30_306.0707n 307.0779389 6.30 36945.3363 39175.5662 38065.8031 38730.9814 38376.6009 38978.4010 6.30_319.2292m/z 319.2291911 6.30 160.3193 182.4005 193.1669 126.4835 157.7989 133.9524 6.30_323.0445m/z 323.0445389 6.30 3050.5491 2908.5824 3086.3299 2972.0795 2877.5081 2952.7596 6.30_339.0149m/z 339.0148915 6.30 519.8245 428.2136 514.8500 459.3373 519.7387 472.4731 6.30_369.0488m/z 369.0487511 6.30 18966.5970 17569.7870 18576.0302 18562.0800 18339.7038 18744.6668 6.30_385.0207m/z 385.020669 6.30 729.0051 636.4929 659.2322 694.8832 679.9433 627.9182 6.30_403.2418m/z 403.2418377 6.30 209.4202 287.2243 234.9428 216.7025 249.4424 229.2522 6.30_405.9820m/z 405.9819921 6.30 1432.4170 1530.5432 1403.7824 1488.4615 1410.0595 1491.4104 6.30_428.5630n 446.615134 6.30 443.6516 560.4213 516.6367 544.4181 513.9736 516.0291 6.30_446.1170m/z 446.1170058 6.30 3121.1978 3702.4667 3188.7112 3330.3097 3240.4111 3345.3404 6.30_461.1374m/z 461.1374397 6.30 4579.2688 4829.2974 4543.9362 4625.5003 4473.5226 4608.6792 6.30_504.2080m/z 504.2080191 6.30 1207.0388 1377.0746 1233.4837 1239.3353 1218.0043 1287.7919 6.30_591.1748m/z 591.1748065 6.30 6571.8863 7058.0063 6752.5185 6724.6927 6683.0572 6786.5954 6.30_607.1326m/z 607.1326111 6.30 9106.1102 9496.6930 9212.1963 9226.6745 9197.2885 9575.3096 6.30_607.6329m/z 607.6328633 6.30 159.2894 193.6463 178.1941 204.6064 174.1056 179.4283 6.30_623.1092m/z 623.1091725 6.30 1735.8319 1792.7314 1808.0934 1708.9661 1788.7027 1786.5939 6.30_691.1469m/z 691.1468527 6.30 4017.6872 4642.6547 4265.6740 4301.9331 4049.7023 4259.9693 6.30_886.1611n 869.157763 6.30 1255.4823 1790.9676 1383.1133 1490.5442 1408.1037 1470.8180 6.30_890.2122n 891.2194403 6.30 3088.2860 3804.5156 3394.6829 3259.8809 3373.3020 3359.5776 6.30_906.1864m/z 906.1864287 6.30 323.0440 395.5639 341.2625 362.2037 348.2199 390.0280 6.30_924.1917n 907.1883714 6.30 2517.2893 3197.8585 2652.3272 2726.0872 2491.3307 2661.4272 6.30_929.1673m/z 929.1672509 6.30 942.8306 1134.9426 1175.2683 1116.0511 1009.2356 1086.9050 6.30_962.1502n 945.1469178 6.30 2006.0597 2349.2276 2299.9160 2093.6938 2248.0538 2203.1937 6.30_97.0288m/z 97.02878596 6.30 206.0744 214.5027 226.3317 224.3387 211.6227 226.6104 6.30_984.1653m/z 984.1652721 6.30 160.9399 208.6608 210.3168 200.8793 254.7489 247.3193 6.31_258.5602m/z 258.5602408 6.31 53.5450 51.9193 52.1979 79.4779 69.3718 85.3390 6.31_272.0922m/z 272.092221 6.31 7713.3091 8679.0722 8541.7499 7891.9234 8546.4374 8208.3528 6.31_286.5728m/z 286.5728139 6.31 69.3086 73.5148 55.8695 73.7040 87.4203 54.2898 6.31_572.1613m/z 572.1613448 6.31 1574.1096 1630.0797 1536.6423 1547.4879 1520.4803 1550.8192 6.32_105.0338m/z 105.0337845 6.32 451.3625 475.6771 458.3977 446.5425 463.5226 459.1841 C7H6O2 Benzoic acid Benzoic acid 30746 MEDIUM 6.32_232.0298m/z 232.0297726 6.32 2501.8930 2489.8824 2487.6985 2512.5202 2483.1422 2510.8487 6.32_342.1907m/z 342.1906628 6.32 4333.1583 4401.8635 3998.6644 4215.6490 4165.7171 4307.1800 6.32_371.1599m/z 371.1599418 6.32 5307.9009 5486.3263 5280.2180 5367.2764 5243.7933 5417.0857 6.32_456.1989m/z 456.1989205 6.32 3755.1353 4290.4650 3943.3814 3955.2739 3968.3333 4042.8264 6.32_671.1858m/z 671.1857687 6.32 736.8501 916.4528 866.6289 850.4625 854.3291 819.5241 6.33_465.2720m/z 465.2719506 6.33 1025.2024 1339.8369 1206.6323 1166.7633 1193.4317 1192.7833 6.33_465.7744m/z 465.7744399 6.33 358.9299 445.4124 369.6968 392.6678 404.3134 397.5858 6.33_81.0700m/z 81.06997978 6.33 93.7409 117.9279 96.5130 134.8938 97.0519 102.0911 C6H10O 2-Hexenal MEDIUM 6.34_154.0864m/z 154.0864277 6.34 5472.3715 6440.5063 5844.1920 5824.5572 5964.3462 6027.4096 C8H11NO2 Dopamine Dopamine 18243 MEDIUM 6.34_231.5671m/z 231.5671411 6.34 51.9357 71.1346 46.8427 63.5042 62.7638 52.0415 6.34_275.1877n 298.1050843 6.34 6365.0849 6411.4764 6660.4080 6457.5001 6603.7273 6632.8513 C17H25NO2 MGK MEDIUM 6.34_433.2026m/z 433.202594 6.34 3090.0177 2927.8759 2900.5175 2853.6659 2989.2546 3146.0721 C23H27FN4O2 Risperidone 8871 HIGH 6.34_445.1579m/z 445.1578562 6.34 1888.5136 2439.8623 2052.9093 2078.8751 2088.6618 2096.3045 C22H24N2O8 Tetracycline Tetracycline 27902 MEDIUM 6.34_629.7190m/z 629.7189557 6.34 254.2114 361.6449 281.7988 303.2375 289.4988 326.0237 6.35_170.0471m/z 170.0471367 6.35 2700.2195 2803.1873 2776.7508 2744.0605 2753.8626 2757.5439 6.35_260.1322n 283.1182942 6.35 25468.8561 27429.1318 25315.7184 26155.4776 25826.6292 26452.3063 6.35_281.1359m/z 281.1359311 6.35 1125.3599 980.0397 911.4010 1038.5402 1011.2768 948.2815 6.35_365.1987m/z 365.1986641 6.35 2802.8576 2933.5331 2789.0768 2693.0673 2807.5704 2972.5921 6.35_440.2020m/z 440.2020206 6.35 9377.8872 11109.8984 9724.4985 9958.0693 9800.2749 10158.6606 6.36_182.0523m/z 182.0522746 6.36 2072.5067 2238.8153 1989.7784 2123.2451 1998.8793 2060.1540 6.36_208.0286m/z 208.0286079 6.36 1186.6285 1288.4573 1192.5860 1187.0245 1166.9602 1170.4608 6.36_327.0871m/z 327.0870985 6.36 4801.1801 5396.6732 4991.1180 4852.1110 5048.0853 5143.9051 6.36_348.2362m/z 348.2361702 6.36 157.5624 205.6049 200.6348 151.4919 182.4172 164.6084 6.36_459.1282m/z 459.1281581 6.36 6111.6669 6908.1478 6363.9828 6220.7794 6397.0684 6428.3815 6.37_347.1212m/z 347.121202 6.37 3428.9969 3705.4587 3571.0411 3510.4802 3590.4619 3638.8289 6.37_457.7387m/z 457.7387078 6.37 50.8239 98.0126 89.0784 98.5846 73.8346 68.5857 6.38_148.0758m/z 148.0758393 6.38 759.9677 787.2715 758.0093 749.6967 785.7634 767.0145 6.39_123.0057m/z 123.0057373 6.39 687.2082 576.9026 642.2167 623.5551 616.4181 654.5297 C6H5NO3 2-Nitrophenol 16260 MEDIUM 6.39_128.1073m/z 128.1073174 6.39 197.3122 204.7879 191.3082 198.7496 198.8527 205.7693 6.39_166.9613n 149.9580269 6.39 232.3921 94.7719 135.6123 123.0562 118.2378 111.4109 6.39_518.2366m/z 518.2366071 6.39 7783.5046 9287.5597 8251.5122 8116.8412 8415.8747 8458.6255 C27H32O9 Verrucarin B MEDIUM 6.39_86.0969m/z 86.09687129 6.39 206.1506 219.6024 205.6797 204.2383 211.2544 214.0241 6.40_186.1085m/z 186.1085112 6.40 1063.1027 1160.1239 1088.9037 1067.5404 1099.5209 1127.7471 6.40_228.5438m/z 228.5437923 6.40 234.9039 249.6747 280.1809 245.8642 249.5602 258.2677 6.40_240.0917n 263.0875286 6.40 20284.6542 33713.2256 24737.1803 27628.1789 23408.9914 26024.2637 6.40_295.1147m/z 295.1146798 6.40 8155.7217 6698.0028 7470.3032 7703.8772 7403.5534 7607.2645 6.40_332.2057m/z 332.205683 6.40 9218.2591 10624.5993 9480.4052 9791.3117 9941.7931 9875.3286 6.40_391.1022m/z 391.1022171 6.40 4158.6287 4454.0614 4204.8127 4214.8051 4181.5839 4302.6228 6.40_393.1494m/z 393.1494289 6.40 4382.2962 4801.0496 4409.1214 4515.7872 4558.3440 4572.7212 6.40_440.1156m/z 440.1156041 6.40 3450.9649 4337.0736 3548.5445 3737.6715 3560.9411 3775.8629 6.40_524.1827n 547.166915 6.40 12814.0257 13759.2335 12924.2765 12946.0025 12937.9702 13182.8165 6.41_257.1267m/z 257.1266512 6.41 1698.3953 1596.7145 1667.6217 1529.0280 1672.0493 1655.2368 C13H18N2O2 Hyquincarb MEDIUM 6.41_453.0789m/z 453.0789241 6.41 1069.1830 1051.2402 1027.3205 1090.8580 1056.3480 1085.8361 6.42_256.0151m/z 256.0151272 6.42 1007.5356 974.1308 986.4832 967.1315 976.3334 1051.6485 6.42_307.5987m/z 307.5986933 6.42 24.7152 25.7765 19.0195 27.0316 53.1674 51.4795 6.42_754.8679m/z 754.8678748 6.42 152.7375 189.3848 177.0178 150.8128 195.1154 197.2739 6.44_230.0748m/z 230.0748309 6.44 5556.8465 5339.4782 5411.1841 5279.4383 5447.1668 5436.9398 6.44_431.2187m/z 431.2187491 6.44 2271.4854 2474.0441 2282.8093 2302.2271 2357.4857 2350.9192 6.45_444.2231m/z 444.2231015 6.45 10850.0674 12207.7162 11361.3549 11239.4246 11451.0714 11599.3997 C28H29F2N3O Pimozide Pimozide 8212 MEDIUM 6.45_934.3643m/z 934.3643077 6.45 178.8185 323.6429 296.3362 258.7272 270.1448 237.6015 6.45_951.0318n 935.032127 6.45 236.1361 432.1950 351.4065 314.4987 383.0196 459.7068 6.46_174.0569m/z 174.0568713 6.46 2972.0601 3063.3387 2928.1215 2980.8516 2892.1505 2923.2030 6.46_220.0609m/z 220.0609366 6.46 12303.6376 12922.7831 12502.8090 12780.7120 12594.3753 13013.6103 6.46_225.0724m/z 225.0724354 6.46 1408.4333 1377.8155 1414.4316 1353.3953 1398.7247 1428.4839 6.46_620.6230m/z 620.6230074 6.46 102.5005 152.0563 102.2043 107.2570 104.4263 88.8602 6.46_934.6982m/z 934.6981911 6.46 270.7547 334.1170 291.8814 325.5880 354.5444 302.8980 6.47_109.0654m/z 109.0653844 6.47 1134.5114 1079.6167 1136.5089 1118.9406 1082.2045 1074.9445 C7H8O m-Cresol 17231 HIGH 6.47_110.0737n 93.07040187 6.47 118.3649 120.2254 115.3134 112.9710 110.9441 121.5415 6.47_182.1177m/z 182.1176903 6.47 12769.8901 13479.5251 13750.9267 13695.7067 13754.9812 13969.1862 C10H12O2 Eugenol 4917 HIGH 6.47_222.0442m/z 222.0442003 6.47 1778.4830 1599.0417 1725.3145 1657.2825 1700.7113 1758.4332 6.47_272.1218m/z 272.1218466 6.47 1966.2622 1967.3064 2128.0889 1987.1288 2046.5543 1978.1008 6.47_304.1556m/z 304.1556239 6.47 323383.4992 342279.0171 351977.3981 360220.2236 357060.0582 362065.3890 C17H21NO4 Cocaine Cocaine 27958 HIGH 6.47_304.2975m/z 304.2975059 6.47 9759.3556 11308.5053 11097.7881 11196.6102 11044.4355 10635.4949 6.47_304.3433m/z 304.3432868 6.47 2665.7199 2982.2554 2895.9659 2784.5764 2728.7813 2345.4534 6.47_304.3921m/z 304.3921442 6.47 2148.3008 2782.6256 2580.4537 2424.1984 2429.1087 2628.6855 6.47_304.6318m/z 304.6317636 6.47 2173.3850 2478.0003 2430.3472 2467.2083 2383.5218 2476.3125 6.47_82.0657m/z 82.06570767 6.47 318.3790 340.1830 328.7196 332.1900 324.1480 327.3994 6.48_107.0493m/z 107.0492941 6.48 450.9551 456.5284 462.0577 451.2383 427.9299 412.1486 6.48_238.5464m/z 238.5463914 6.48 51.1577 57.2593 49.8678 59.0303 73.8122 40.3936 6.48_245.5597n 246.5670001 6.48 88.3830 127.5237 103.8688 115.2077 89.7882 99.8748 6.48_252.5761m/z 252.5760888 6.48 167.4923 224.4164 176.6457 170.5064 178.5783 207.0753 6.48_292.0610m/z 292.0610454 6.48 2870.0101 2804.1370 3030.2656 2748.2310 2959.2862 2905.5744 6.48_358.1407m/z 358.1407145 6.48 9772.4213 10357.8420 9906.4330 10057.0505 9938.5727 10057.3193 6.48_857.1947m/z 857.1946509 6.48 307.3645 441.9449 414.2966 327.7723 328.6199 301.8998 6.48_96.0579n 119.0494321 6.48 454.7153 480.3079 454.6891 504.5199 437.7137 469.3092 C6H8O "2,5-Dimethylfuran" MEDIUM 6.49_100.0675n 84.04487024 6.49 338.1036 360.8401 354.5540 324.6881 365.2704 339.3022 6.49_115.1035n 116.107212 6.49 263.4412 285.2821 258.1680 232.1378 248.4188 257.7492 6.49_190.5689m/z 190.5689253 6.49 92.4649 82.5593 102.2056 94.6869 81.2006 106.2287 6.49_219.5713m/z 219.5713339 6.49 441.5843 452.8960 447.0978 445.0029 442.5358 447.6840 6.49_232.0871n 250.103456 6.49 2230.0998 2322.5247 2161.3260 2388.3242 2103.0339 2255.3344 6.49_245.1492m/z 245.1492128 6.49 3770.0989 4414.5769 3975.0194 4002.5135 3982.2892 3987.5942 6.49_260.5548m/z 260.5547836 6.49 129.5244 166.2642 146.0438 137.4628 138.9177 123.2009 6.49_304.2076m/z 304.2076006 6.49 1981.4520 1584.4473 2041.5489 1848.4790 2016.6819 1897.2857 6.49_369.5874m/z 369.587448 6.49 67.9244 44.3239 44.4004 63.4505 49.0520 29.5492 6.49_398.1783n 421.1673153 6.49 71815.5190 77914.9232 73245.7886 73839.1331 74861.9022 74469.4008 6.49_404.1470m/z 404.1469849 6.49 3340.8979 3509.4157 3385.8823 3304.1994 3300.9730 3243.5601 6.49_436.1268n 437.1340319 6.49 25009.6232 23928.8639 24395.1112 24518.7583 24495.6955 24648.0804 6.49_443.1479m/z 443.1479196 6.49 2569.7396 2585.4403 2514.8482 2621.2125 2492.9512 2505.1082 6.49_527.2341m/z 527.2341265 6.49 1539.2490 1598.5065 1504.5237 1504.2370 1530.5039 1519.0406 6.49_788.1736m/z 788.1735979 6.49 130.2689 185.9744 123.7427 139.5863 114.6341 160.4815 6.49_850.1999n 834.1773161 6.49 455.0918 792.6651 513.5579 549.5117 480.4850 491.6025 6.50_234.5944m/z 234.5943746 6.50 192.3856 193.5957 182.3381 199.6352 185.4491 175.9674 6.50_244.5667n 228.544128 6.50 383.7137 386.9915 352.1363 368.7453 382.7390 387.3782 6.50_263.1871n 264.1959584 6.50 39473.0041 41089.8696 40063.8796 41171.3590 40554.8017 40364.8932 C16H25NO2 Butacarb MEDIUM 6.50_325.6182m/z 325.6181948 6.50 190.4726 215.0675 205.7009 190.1563 207.7402 193.8378 6.50_341.5816m/z 341.5816419 6.50 47.4388 50.9471 45.2207 59.2020 48.6653 66.9193 6.50_440.1168m/z 440.1167628 6.50 7562.7263 8599.2807 8143.9170 7818.2572 8064.7084 7927.6770 6.50_451.2117m/z 451.2116649 6.50 1703.1944 1629.8512 1660.3471 1639.4323 1747.1122 1658.3511 6.50_58.0658m/z 58.06582608 6.50 708.4417 740.5073 754.0942 740.3268 747.7874 746.8438 C3H9NO Trimethylamine N-oxide Trimethylamine N-oxide 15724 MEDIUM 6.50_622.2902m/z 622.2901833 6.50 2534.4497 2831.9389 2523.5342 2450.1928 2554.5910 2443.8273 6.50_626.2395n 627.2468014 6.50 26091.9561 29223.0892 26912.9918 27239.2288 27463.9709 26790.4320 6.50_665.1881m/z 665.1881437 6.50 4295.5537 4651.9563 4424.2068 4532.2669 4308.9007 4400.9413 6.50_671.1963m/z 671.1962951 6.50 3268.7892 3636.0543 3273.4041 3332.7074 3238.1488 3254.2103 6.50_681.1762m/z 681.1762494 6.50 2865.6032 3497.4776 3020.3305 3132.0342 2928.6788 3088.6503 6.50_832.1709m/z 832.1709179 6.50 165.8242 283.7780 215.5383 232.5388 258.8159 208.4263 6.51_212.5821m/z 212.5821403 6.51 780.7311 851.2011 778.3164 810.5286 785.0318 801.6638 6.51_231.5571m/z 231.5571409 6.51 37.3903 14.0432 25.7056 23.8230 25.8719 45.8189 6.51_318.6285m/z 318.6285377 6.51 84.7935 72.8798 77.3320 63.4632 96.9050 80.2181 6.51_384.1990n 407.1880245 6.51 123757.9779 138756.0911 127024.6544 130412.9027 131067.3244 128018.2058 6.51_427.1599m/z 427.1599451 6.51 9553.4770 10083.5308 9811.0701 9885.8673 9751.8167 9787.7265 6.51_429.1701m/z 429.1700791 6.51 15052.6721 11154.1910 13134.2316 13515.9596 13542.7949 13258.2812 6.51_445.1406m/z 445.1406154 6.51 2569.4902 2448.3455 2477.2613 2507.2037 2474.6008 2440.9308 6.51_608.3111m/z 608.3111221 6.51 1863.9513 2118.8164 1871.2385 1914.9376 1826.4355 1703.6716 6.51_612.2604n 613.2676368 6.51 24322.4716 25871.3025 24502.3134 24604.8801 25143.7080 24188.9290 6.52_161.0642m/z 161.0641799 6.52 1637.2292 1615.9786 1655.9394 1564.2228 1599.1205 1587.4226 6.52_161.5664m/z 161.5663806 6.52 66.1741 72.8813 64.9612 73.4358 73.3625 72.5251 6.52_183.5793m/z 183.5793465 6.52 261.8726 249.9358 254.0111 245.7275 239.4282 263.5722 6.52_185.0922m/z 185.0922234 6.52 2978.9115 2998.5953 2905.3160 3003.8299 2930.5855 2928.6197 6.52_227.6040m/z 227.604017 6.52 108.8019 158.7522 128.0865 143.0918 129.7789 137.0284 6.52_255.0952m/z 255.0951753 6.52 12913.0013 12450.7877 12563.4729 12760.3241 12454.8852 12635.7572 6.52_284.1855m/z 284.185467 6.52 13429.2988 14182.1985 13076.5766 13856.8326 13470.5881 13586.6234 C15H22O4 Verrucarol MEDIUM 6.52_337.6027m/z 337.6027407 6.52 23.1837 30.4777 40.1716 46.0501 30.9595 56.7186 6.52_343.0820m/z 343.081978 6.52 2379.5483 2195.3431 2516.7559 2290.6225 2498.4112 2358.2745 6.52_431.0988m/z 431.0987518 6.52 3583.4591 3786.3123 3640.1038 3618.3025 3653.5079 3585.4577 C21H20O11 Astragalin HMDB37429 MEDIUM 6.52_933.4385m/z 933.4385332 6.52 147.6858 248.5600 218.1262 204.4434 199.8475 227.5667 6.54_133.0857m/z 133.0856611 6.54 1448.8455 1587.2035 1551.1181 1571.5229 1540.6794 1581.3134 6.54_177.1110m/z 177.1109857 6.54 1168.6148 1209.5721 1171.8314 1216.2940 1205.1128 1237.7149 C8H18O5 Tetraethylene Glycol Tetraethylene glycol 44920 MEDIUM 6.54_205.0902m/z 205.0901725 6.54 20190.7797 20245.0954 20364.2136 20574.4390 20730.6990 21270.2914 6.54_205.5925m/z 205.5925167 6.54 1938.2347 2021.8318 2103.8387 2038.6425 2135.4420 2141.8760 6.54_208.5513m/z 208.5512562 6.54 45.3593 59.7763 71.4159 72.6142 64.3736 65.2123 6.54_217.5558m/z 217.5557761 6.54 35.3383 31.0355 21.1072 30.6095 21.1117 35.2752 6.54_320.1183m/z 320.1182637 6.54 3930.6901 3874.2591 3896.9129 3977.8256 3779.9618 3915.4194 6.54_370.2202n 393.2092291 6.54 205483.1116 229229.3818 226114.5024 226122.4131 232392.6384 236116.3399 6.54_393.3723m/z 393.3722638 6.54 3706.5792 4775.9557 4520.5421 4382.9698 4602.2300 4434.0311 6.54_393.4232m/z 393.4231582 6.54 604.2777 823.7818 770.2033 644.6032 725.8661 521.8687 6.54_393.7489m/z 393.7488519 6.54 423.2819 723.2675 625.3415 558.5160 623.5228 640.1826 6.54_399.1301m/z 399.1301362 6.54 4250.8403 4271.5787 4512.8434 4122.7644 4539.6038 4238.0376 6.54_89.0603m/z 89.06031925 6.54 177.4153 194.0073 201.4111 180.7916 199.6755 201.4579 C4H8O2 "1,4-Dioxane" 47032 MEDIUM 6.54_932.9377m/z 932.9377087 6.54 238.4538 321.1137 317.5446 296.8524 384.0842 328.4863 6.55_243.0811m/z 243.0811029 6.55 2917.3061 3052.3140 2842.3566 2982.9050 2914.0801 2989.0346 6.55_254.5619m/z 254.5619493 6.55 86.8654 99.7067 76.0454 57.3525 86.5475 98.8738 6.55_318.2254m/z 318.2253775 6.55 566.8259 667.2369 608.7827 716.3817 658.7372 553.0264 6.55_327.5897m/z 327.5896767 6.55 229.7741 303.5230 268.3799 268.1497 246.6632 313.7591 6.55_393.2708m/z 393.2708415 6.55 1030.8365 894.1566 1047.6921 995.8030 1068.4765 1007.3406 6.55_504.2206m/z 504.2205574 6.55 2723.2639 3126.7817 3086.2702 2917.8804 3073.9096 3083.0408 6.57_471.2903m/z 471.2903124 6.57 795.6929 885.9085 777.6856 868.0630 794.6278 871.7228 6.58_241.0820m/z 241.0820242 6.58 3984.0361 3933.8867 3838.8300 4060.3334 3806.3324 3898.5226 6.58_270.0679m/z 270.0679155 6.58 1995.4939 2447.9852 2121.9767 2194.8125 2154.3544 2211.9752 6.58_346.1956m/z 346.1955542 6.58 1471.5566 1543.2284 1485.4765 1527.1300 1497.0416 1532.1059 6.58_86.0970m/z 86.09703812 6.58 142.7745 174.7446 173.2623 173.4716 171.5939 155.7045 6.60_195.0641m/z 195.0641185 6.60 5846.8467 6032.3422 5657.6671 5899.5556 5702.9188 5772.4954 C10H10O4 Monoethyl phthalate HMDB02120 2306-33-4 MEDIUM 6.60_209.0117m/z 209.011656 6.60 505.4269 467.1807 513.4838 486.4657 500.6559 507.3958 6.60_211.0282m/z 211.0281678 6.60 3960.5062 3872.8087 3757.2757 3911.1684 3738.5665 3840.4160 6.61_248.1851m/z 248.1851075 6.61 315.8202 361.7476 347.5148 317.9537 372.8743 356.4556 6.61_272.1854m/z 272.1853874 6.61 11550.8507 12628.0649 12154.7558 12308.5071 12526.7015 12231.4968 C19H28O2 Testosterone Testosterone 17347 MEDIUM 6.61_302.1958m/z 302.1958047 6.61 11492.2151 13021.5035 12075.9174 12504.5295 12362.5538 12567.4744 6.61_328.2109m/z 328.2109252 6.61 8345.5289 9438.0874 8765.4448 8894.1575 9074.2151 8870.9412 C22H32O3 Testosterone Propionate 290629 MEDIUM 6.61_447.1253m/z 447.1252967 6.61 3088.7001 3427.3157 3263.1554 3240.3942 3273.5626 3292.5805 6.61_477.7474m/z 477.7474352 6.61 74.5481 129.1602 36.7458 76.8999 91.4410 74.5394 6.62_116.1074m/z 116.1074279 6.62 135.8431 125.9334 158.7719 117.1250 150.2845 144.1075 C6H10O "4-Methyl-3-penten-2-one, 9CI" MEDIUM 6.62_205.0172m/z 205.0172392 6.62 2160.9327 2107.4774 2185.3515 2147.3058 2171.1242 2158.2333 6.62_268.1912m/z 268.1911775 6.62 68490.5916 78651.9629 74156.6259 75618.3147 76823.4082 76480.9253 C15H22O3 Trichodermol MEDIUM 6.62_590.2692m/z 590.2692011 6.62 2404.0205 2863.4474 2493.7888 2613.6277 2591.7713 2567.7823 6.63_120.0125m/z 120.0124642 6.63 329.2400 302.9570 268.5187 268.9952 312.5324 324.5070 6.63_280.1205m/z 280.1205339 6.63 5403.8235 5076.4860 5126.6766 5313.2628 5155.9211 5233.4449 6.63_401.1389m/z 401.1389246 6.63 2818.9310 3121.0650 2858.4815 2973.9862 2930.5705 2958.0050 6.63_417.1079m/z 417.1078593 6.63 1920.2855 2043.9815 1924.9802 1933.4083 1998.2172 1933.2527 6.63_93.0703m/z 93.07029703 6.63 162.9024 169.2760 175.6402 174.9158 158.8770 167.8360 C7H8 Toluene Toluene 17578 MEDIUM 6.64_209.1213m/z 209.1213215 6.64 5219.9042 5348.6341 5195.5274 5360.5318 5205.0029 5265.1443 6.64_226.0508m/z 226.0508157 6.64 1433.9892 1564.5247 1386.0584 1501.0465 1470.5046 1480.2331 6.64_249.1107m/z 249.1107298 6.64 15446.2882 15064.0176 14905.8863 15666.6593 14920.3521 15557.0929 6.64_433.2646m/z 433.2645798 6.64 2527.1718 2782.6787 2533.8765 2598.9342 2663.9069 2546.1102 6.65_251.0222m/z 251.0222428 6.65 1040.1385 1036.4718 1091.0699 1054.4875 1131.2785 1050.1467 6.65_316.2104m/z 316.2103808 6.65 969.1681 953.2890 950.3972 985.5520 1006.9836 907.2985 6.65_572.2052m/z 572.205174 6.65 1633.9301 1860.2693 1756.5581 1737.3932 1740.0987 1757.3555 6.66_192.0084n 175.0051244 6.66 228.1087 170.6489 240.9984 226.2826 245.0452 217.0813 6.66_207.0624m/z 207.0624478 6.66 2120.5670 2353.0863 2189.2318 2232.2519 2183.0559 2218.3634 6.66_294.6016m/z 294.60162 6.66 225.6425 260.4075 283.7850 227.5933 247.3378 249.8554 6.67_148.0742m/z 148.0741844 6.67 2058.5522 2103.5441 2061.8750 2077.2034 2113.5292 2073.6854 6.67_189.0544m/z 189.0544184 6.67 2060.5337 2179.4210 2002.3213 2088.6984 2069.1760 2043.3961 6.67_232.1693m/z 232.1693415 6.67 2969.2302 3535.1039 3325.8110 3447.1860 3404.4736 3299.1533 C15H23NO2 3-tert-Butylphenyl sec-butylcarbamate MEDIUM 6.67_331.2299m/z 331.2299327 6.67 415.4673 532.2873 476.7512 463.3518 451.6748 471.2303 6.67_444.2220m/z 444.2220043 6.67 6873.2874 8117.0712 7448.1129 7523.4992 7516.7884 7447.1703 C28H29F2N3O Pimozide Pimozide 8212 MEDIUM 6.68_119.0491m/z 119.0491426 6.68 251.9969 309.5119 294.8713 282.9658 317.1509 277.4012 C8H8O2 Phenylacetic acid Phenylacetic acid 30745 MEDIUM 6.68_147.0444m/z 147.0444368 6.68 909.8358 943.0531 905.4814 955.6840 935.2919 928.3067 6.68_235.0278m/z 235.0278174 6.68 2406.6771 2404.4001 2368.9434 2424.6573 2482.6572 2400.5754 6.68_347.1623m/z 347.1622634 6.68 2736.6072 3035.4974 2850.6872 2926.3126 2970.2254 2924.4890 6.68_493.1928m/z 493.1927769 6.68 2106.3542 2346.9419 2249.6817 2165.5566 2203.8926 2200.0263 6.69_263.1522n 264.1594372 6.69 25069.9464 28833.2223 26872.8718 27139.0010 27893.3200 27622.0261 6.69_372.2354m/z 372.2354061 6.69 1306.1150 1511.3498 1300.9937 1567.3848 1277.6665 1409.5081 6.69_863.0932m/z 863.0931924 6.69 74.5341 185.1517 117.3475 97.1768 131.4818 116.9658 6.71_169.0811m/z 169.0811095 6.71 1556.8652 1691.8482 1562.9591 1622.7595 1647.5182 1588.6660 6.72_193.0779m/z 193.0778813 6.72 14758.4728 14822.5101 14727.1964 14621.6816 14769.5474 14633.6694 6.72_235.0812m/z 235.0811749 6.72 4187.5706 4260.0906 4087.9061 4207.5460 4303.5655 4346.8648 C10H13N5O3 Deoxyadenosine Deoxyadenosine 17256 HIGH 6.72_407.1242n 408.1263025 6.72 64843.6610 76545.0321 71389.2782 71311.9837 72321.1112 72532.2221 6.72_814.2266n 815.2338382 6.72 385.5484 775.5351 516.9817 493.4075 560.2082 538.2775 6.73_153.1389m/z 153.1388677 6.73 244.7706 255.6250 262.5218 287.1768 271.7744 272.4863 C9H13N Dextroamphetamine 4469 MEDIUM 6.73_241.1540m/z 241.1540088 6.73 1416.5195 1527.4407 1414.5145 1449.8463 1489.0005 1441.9459 C12H17NO3 Cerulenin Cerulenin 171741 MEDIUM 6.73_293.0852m/z 293.085239 6.73 1622.8382 1880.3780 1655.3399 1727.9445 1680.7723 1717.3618 6.73_401.1386m/z 401.1386265 6.73 6772.0564 7407.2826 7017.5766 7025.1070 7108.0912 6992.2024 6.73_410.2157m/z 410.2156576 6.73 873.2609 875.7926 903.2112 905.8468 914.2512 913.6474 6.74_283.1164m/z 283.11644 6.74 18631.8007 21401.3616 18942.2753 20018.7190 19245.2186 19794.3937 6.74_482.6645m/z 482.6645062 6.74 131.9033 160.9865 108.6863 149.6261 135.9957 159.6565 6.74_926.3761m/z 926.3761186 6.74 507.9260 762.8478 611.8213 606.1879 619.7049 618.2422 6.75_223.0940m/z 223.0939633 6.75 8680.1422 9035.0194 8467.2910 8920.7788 8659.6868 8950.9090 6.76_165.0864m/z 165.086419 6.76 6396.5188 6524.3369 6362.7766 6466.8070 6419.3912 6497.8869 6.76_230.0780m/z 230.0779825 6.76 8471.9603 8926.1443 8486.7518 8728.9379 8630.9475 8688.9149 6.76_261.1136m/z 261.113594 6.76 6468.7406 6709.7331 6421.4336 6578.2241 6558.2254 6595.3452 6.76_344.1060m/z 344.105996 6.76 2738.0600 3158.8618 2926.7635 2914.1604 2945.8375 2944.9957 C16H19F3N2O4 Zirconium(IV) bromide MEDIUM 6.76_90.0554m/z 90.05539732 6.76 75.1840 81.0209 79.5454 82.0538 81.8787 88.1710 C3H7NO2 Ethyl carbamate 17967 MEDIUM 6.77_149.9580m/z 149.9579958 6.77 148.9879 92.6999 128.5322 101.5718 87.0138 104.2234 6.77_264.0517m/z 264.0517311 6.77 135.1652 159.5813 213.6184 121.5354 160.0561 73.0368 6.77_461.1201m/z 461.1201036 6.77 2240.7025 2570.5711 2229.6632 2410.0843 2312.6809 2327.8393 6.78_109.0652m/z 109.0652311 6.78 456.7916 462.6991 466.0234 475.1977 464.5072 478.2192 C7H8O p-Cresol P-Cresol 17847 MEDIUM 6.78_223.9701m/z 223.970095 6.78 153.4822 200.1394 213.5477 174.8575 198.3387 202.6716 6.78_242.9714n 265.9807569 6.78 1013.8309 1105.1089 1072.7664 981.0527 1066.0921 1015.7468 6.78_283.0083m/z 283.0082579 6.78 171.8095 187.8172 203.7012 161.7960 208.7531 196.9615 6.78_284.0020n 267.9794437 6.78 935.8805 1017.5928 1002.0807 987.9787 1012.0350 967.1483 6.78_296.1279n 319.1233484 6.78 33157.0399 35157.0865 33568.5616 34110.2853 34036.9815 33991.1745 6.78_304.1026n 305.1098912 6.78 9601.9008 10858.4950 10262.3167 9982.3631 10365.6072 10192.3798 6.78_335.0957m/z 335.0956562 6.78 5169.6544 5599.0559 5403.9333 5375.7090 5393.5488 5405.0883 6.78_392.1423n 393.1495308 6.78 11972.7177 13173.1074 12614.2950 12485.3568 12764.6674 12474.5533 6.78_453.1159m/z 453.1158932 6.78 8580.4990 9060.1786 8703.9907 8886.2393 8671.7543 8550.4497 6.79_437.1411m/z 437.1410609 6.79 9869.8955 22210.0779 9868.7083 16408.2853 9854.0405 13438.1636 6.79_477.2284m/z 477.2283826 6.79 2557.2552 2758.5227 2668.4671 2665.0673 2826.2196 2756.5877 6.80_160.0754m/z 160.0753775 6.80 1458.2281 1508.7223 1453.3113 1522.1777 1474.0270 1477.7908 6.80_170.0361n 188.0698923 6.80 5401.0373 5608.9633 5479.5087 5403.1101 5444.6829 5459.5497 6.80_239.0895m/z 239.0895267 6.80 31347.6600 32436.0664 31567.9497 32013.9053 31858.8440 32019.9220 6.80_244.0280m/z 244.0280179 6.80 1756.8504 1682.4220 1693.3831 1686.5620 1622.0934 1724.7973 6.82_224.0600m/z 224.0599726 6.82 4251.5396 4179.7511 4193.3614 4208.0366 4175.7318 4160.8837 6.82_297.5855m/z 297.585528 6.82 173.7126 251.6325 238.5497 196.5530 220.4797 241.2502 6.82_304.2120m/z 304.2119652 6.82 44795.2915 52759.6285 48118.6175 48671.6344 49621.0350 49816.8101 6.82_446.1345m/z 446.1344819 6.82 3507.0912 4809.4336 3671.0314 4055.3919 3688.4876 3896.9024 6.82_83.0861m/z 83.08613637 6.82 518.9416 586.3442 565.3687 555.5376 558.8390 560.4689 C6H12O Cyclohexanol Cyclohexanol 18099 MEDIUM 6.82_93.0426n 111.0803268 6.82 321.6129 346.7057 298.6302 329.8596 280.3920 280.8382 6.83_245.1371m/z 245.1370721 6.83 401.2312 427.8505 402.6978 402.8793 401.9413 401.2066 6.84_183.0790m/z 183.0789777 6.84 3797.1202 3763.3130 3769.3313 3819.2155 3814.5862 3774.0392 C13H10O Benzophenone Benzophenone 3034 MEDIUM 6.84_233.1226m/z 233.1225835 6.84 731.6283 688.3020 718.6217 732.7079 721.0917 748.0623 6.85_340.5883n 358.622134 6.85 124.5345 127.8259 210.7521 137.2777 177.4464 156.6603 6.85_347.1275m/z 347.1274513 6.85 2898.7830 2877.7174 2926.5737 2887.6406 2970.8669 2875.0302 6.85_347.6314m/z 347.6314439 6.85 364.3209 354.0543 377.5947 373.5936 374.8640 353.4592 6.85_358.1276m/z 358.1276487 6.85 14688.7167 15132.2687 14862.8704 15164.0652 14859.4412 15134.3160 6.85_671.2716m/z 671.2716368 6.85 6757.0551 8205.7138 7565.2538 7228.2766 7689.0435 7658.2560 6.85_687.2163m/z 687.2162779 6.85 1686.0338 2049.3400 1900.0988 1788.3744 1788.9366 1841.9487 6.85_715.2150m/z 715.215046 6.85 4764.0164 5967.5707 5153.7250 5410.3702 5250.7810 5335.3335 6.86_107.0496m/z 107.0495754 6.86 107.1039 145.2876 93.8317 100.2882 103.3784 118.5660 C7H8O2 4-Methylcatechol 4-Methylcatechol HMDB00873 HIGH 6.86_107.0859m/z 107.0859021 6.86 118.3124 139.1954 136.8509 123.6816 139.3594 121.8487 6.86_119.0493m/z 119.0492865 6.86 1585.7933 1777.5154 1641.1523 1702.7886 1688.3486 1654.2354 6.86_249.6164m/z 249.6163603 6.86 65.5736 108.5986 79.2144 77.2549 90.9235 94.1735 6.86_285.1289m/z 285.1288678 6.86 3116.3210 2781.4878 3352.9609 2759.9113 3346.4608 2982.9273 6.86_326.1727n 344.2065372 6.86 40105.5136 45778.9032 42222.1563 42692.5636 43218.3035 43250.6522 6.86_340.6421m/z 340.6420611 6.86 223.5008 224.1050 227.8980 252.9573 270.0561 227.8364 6.86_351.6323m/z 351.6323389 6.86 155.4518 186.4829 177.7075 188.4927 147.1832 184.7385 6.86_652.3367m/z 652.3367346 6.86 660.7820 864.3136 806.5759 782.9104 762.7615 786.1206 6.86_656.2856n 657.2928311 6.86 8553.5419 10377.5966 9675.2263 9388.8571 9816.2440 9702.3983 6.87_168.1020m/z 168.1019512 6.87 2460.5155 2550.1077 2540.4320 2512.5311 2605.9954 2578.6891 6.87_251.1250m/z 251.1249632 6.87 11800.3996 10683.8654 11042.6545 11315.1355 10966.1146 11223.1471 6.87_462.2325m/z 462.2324709 6.87 18427.8205 21204.9201 19576.9152 19565.8016 19837.3158 19739.7866 C28H29F2N3O Pimozide Pimozide 8212 MEDIUM 6.88_179.0748m/z 179.0747564 6.88 5361.3001 5500.3850 5365.6760 5401.0232 5369.2633 5342.9890 6.88_262.0444n 285.0337181 6.88 4143.3249 4603.7541 4465.2138 4156.7945 4517.9119 4419.1939 6.88_270.0763m/z 270.0763383 6.88 4512.2563 4535.3583 4557.8026 4431.2713 4578.1018 4535.0341 6.88_319.5818m/z 319.5818099 6.88 213.1466 277.9035 264.3825 280.2203 249.2543 222.1595 6.88_330.0852n 331.0924881 6.88 40221.4845 46134.5703 42720.6175 42489.0814 44053.8797 43386.1464 6.88_366.6032m/z 366.6031813 6.88 462.3768 575.8388 505.0347 498.7662 572.9336 569.5473 6.88_705.2308m/z 705.2307806 6.88 1393.3626 1750.9444 1623.9379 1541.5910 1639.7532 1540.3654 6.89_111.0414m/z 111.0413626 6.89 210.0499 198.0299 210.1655 222.8049 208.0789 189.4143 C6H9NO2 Nitro-methylene-cyclopentane MEDIUM 6.89_162.0199m/z 162.0199368 6.89 371.5584 381.4577 407.4020 341.9399 400.7605 408.9462 6.89_251.0876m/z 251.0875578 6.89 3507.9674 3481.2311 3420.6323 3481.8613 3452.2427 3508.1227 6.89_262.1669n 280.1476151 6.89 7366.3792 7170.0662 7237.2113 7338.1538 7326.3794 7319.7171 6.89_267.0174m/z 267.0173601 6.89 278.8289 254.8943 238.2962 234.2566 261.5486 231.5299 6.89_749.2232m/z 749.2231979 6.89 2449.3905 3197.7787 2778.0597 2777.8476 2796.2898 2823.0051 6.90_123.0051m/z 123.0051477 6.90 429.7140 352.4102 408.6470 400.2748 403.6311 361.4228 6.90_241.0853m/z 241.0853412 6.90 6916.2096 6979.4838 6898.4130 6845.3305 6991.8935 6944.3655 6.90_241.5846m/z 241.5845776 6.90 405.9606 506.5892 428.4809 451.0228 496.5672 469.0907 6.90_260.5579m/z 260.5579055 6.90 222.4438 207.5199 194.5747 211.5046 232.8978 222.8853 6.90_460.2378m/z 460.2377767 6.90 4299.9419 5003.7287 4507.4527 4406.6302 4582.9130 4469.4706 6.90_480.1549n 503.1431082 6.90 26108.7412 27132.0767 26591.0768 26040.9983 27228.1936 27306.4094 6.90_565.1200m/z 565.1199768 6.90 5130.0618 4980.0685 4946.7729 4943.6622 5076.0594 5013.8772 6.90_571.1373m/z 571.1372857 6.90 4525.5668 4879.7985 4579.7275 4713.9352 4603.5067 4623.7758 6.90_899.3622m/z 899.3622461 6.90 331.9146 511.4579 301.7063 336.0001 363.6089 298.2558 6.91_213.1086m/z 213.1085953 6.91 1679.3878 1694.8280 1677.5984 1704.6658 1742.6085 1688.4196 6.91_233.1776n 234.1847608 6.91 1278.2672 1448.7221 1345.3550 1348.8401 1360.5129 1397.5533 6.91_246.1490m/z 246.1489676 6.91 193.4671 223.2863 190.6862 155.9488 198.5478 186.2518 C15H16O2 Bisphenol A Bisphenol A HMDB32133 80-05-7 HIGH 6.91_272.1853m/z 272.1853207 6.91 7293.2396 8232.7416 7100.7596 7797.5191 7391.2753 7570.6253 6.91_374.1332m/z 374.1332083 6.91 6359.2973 6955.6932 6640.8972 6592.4672 6694.8254 6681.9380 6.91_381.1207m/z 381.120708 6.91 3545.0645 3811.9971 3577.1933 3633.1653 3539.1661 3561.6764 6.91_464.1857n 465.1930145 6.91 64163.6228 72368.1164 67643.2798 66723.3886 70007.6963 69278.7661 6.93_433.2355m/z 433.2354938 6.93 2610.4116 4098.9911 2770.4891 3162.8182 2760.2723 3010.3196 6.94_103.0397m/z 103.039692 6.94 256.9121 232.3039 283.6568 242.2217 251.7204 263.8942 6.94_184.0731n 167.0698159 6.94 5522.6327 5943.1927 5756.5715 5657.2263 5647.8949 5719.9718 6.94_234.0935m/z 234.093482 6.94 10143.3292 10644.8751 10283.9052 10292.4438 10523.0059 10651.9869 6.94_234.5949m/z 234.5948986 6.94 957.0527 1081.2862 991.6265 1002.8670 999.2590 1049.9310 6.94_249.0732m/z 249.0731517 6.94 3097.0391 3204.0885 3242.5393 3084.7631 3140.3354 3190.9641 6.94_253.5679m/z 253.5678663 6.94 164.9982 202.8887 183.5099 211.1384 172.7872 175.3653 6.94_262.5876n 285.5645525 6.94 199.6906 240.5318 196.6614 219.6463 175.4490 214.4402 6.94_265.0382m/z 265.038234 6.94 645.7775 701.9233 657.9120 640.7343 637.3465 695.9895 6.94_299.5690n 283.5653706 6.94 87.1966 139.7422 129.7933 115.7771 132.2114 118.2184 6.94_428.2250n 451.2146126 6.94 137045.7519 157439.4509 147717.1609 147889.0185 152288.7951 151445.7017 6.94_473.1967m/z 473.1967362 6.94 19299.5268 16290.6377 19022.3797 18917.0047 19429.5733 19476.8679 6.94_489.1620m/z 489.1620385 6.94 2588.7066 2364.2217 2458.4350 2518.7010 2498.3037 2463.7059 6.94_532.1751m/z 532.1750938 6.94 22785.7676 27255.5264 25112.6805 24938.9585 25182.6371 25215.2967 6.95_354.2259m/z 354.2259498 6.95 485.5407 478.6426 508.8047 449.5427 523.5497 463.5779 6.95_448.1950m/z 448.1950349 6.95 4374.7957 5098.6701 4726.9214 4642.5364 4825.6707 4693.9080 6.95_641.1849m/z 641.1848896 6.95 3696.0138 4255.9319 3814.1392 3843.7992 3933.2305 3930.7803 6.95_780.1612m/z 780.1611622 6.95 1329.4440 2209.8458 1695.6743 1827.2369 1757.5543 1766.1376 6.96_133.0869m/z 133.0869146 6.96 1688.9982 1740.3093 1738.8689 1759.9050 1761.2261 1702.2842 C6H12O3 Hydroxyisocaproic acid HMDB00746 MEDIUM 6.96_152.1205n 135.1171955 6.96 607.8424 663.9873 609.2508 661.1234 617.8494 649.2066 C10H16O cis-Citral 29020 MEDIUM 6.96_194.1100n 195.1112622 6.96 4886.0546 4914.1495 4776.5481 5056.1082 4854.2859 5072.8609 6.96_205.5920m/z 205.5919812 6.96 111.7039 141.7640 122.1986 131.2868 135.2778 129.0541 6.96_214.1406m/z 214.1406024 6.96 225.3876 214.1292 288.8365 234.8495 265.9113 214.0580 6.96_227.1026m/z 227.1026028 6.96 16522.9382 17592.2647 17064.6679 17542.6797 17170.1631 17386.6824 6.96_227.6052m/z 227.6052284 6.96 1988.4766 2145.4470 2044.1561 2041.2812 2094.2074 2079.7440 6.96_237.0738m/z 237.0737695 6.96 10486.6352 11548.0375 11002.4597 10998.4588 11190.2424 11289.5771 6.96_274.5723m/z 274.5723086 6.96 28.1934 63.3960 46.2021 68.8456 49.1002 70.6451 6.96_292.5781n 276.5758513 6.96 246.5343 229.4096 213.1948 218.9762 216.6200 271.0169 6.96_414.2461n 437.235401 6.96 250980.2040 278430.2370 267800.4694 272643.0224 274480.3483 277461.4343 6.96_431.1238m/z 431.1238106 6.96 5875.3953 6072.7056 5882.5272 5957.8924 5667.0744 5820.7836 6.96_437.4065m/z 437.4065163 6.96 4287.5808 5247.7430 4720.0873 4822.9689 4865.5674 4596.4306 6.96_499.2032m/z 499.2032497 6.96 3303.8113 3170.7597 3242.2411 3201.0083 3207.0263 3205.3521 6.96_731.2138m/z 731.2138381 6.96 1599.1130 2072.4639 1824.0301 1716.7436 1891.8700 1885.2988 6.96_89.0601m/z 89.06009693 6.96 99.1547 109.1154 115.9726 112.2848 125.6023 118.5592 C4H8O2 "1,4-Dioxane" 47032 MEDIUM 6.97_107.0496m/z 107.0495765 6.97 148.6961 131.8903 161.2739 140.1817 121.3519 130.1511 C7H8O2 4-Methylcatechol 4-Methylcatechol HMDB00873 MEDIUM 6.97_183.1854m/z 183.1854486 6.97 121.6881 129.5726 127.6287 135.5102 89.7032 131.8396 6.97_191.0018m/z 191.0018314 6.97 2109.9956 1968.0969 2032.6982 1990.5975 2021.7200 2077.3553 6.97_251.5728m/z 251.5728308 6.97 26.4535 35.1970 18.1779 11.8353 19.7706 30.3787 6.97_283.1147m/z 283.1146821 6.97 19662.0417 22834.2993 20724.0453 21005.8730 20762.9342 21396.7251 6.97_437.3001m/z 437.3001138 6.97 874.6881 1180.8290 1236.5910 1089.9324 1176.7768 1211.2292 6.97_523.1550m/z 523.1549893 6.97 3401.7305 3741.9254 3473.3545 3561.9347 3551.5781 3532.4868 6.97_605.2393m/z 605.239266 6.97 1262.1990 1436.0610 1285.2640 1288.1453 1280.9255 1288.0907 6.98_252.9789m/z 252.9788772 6.98 137.8266 123.2806 141.2693 127.7606 153.3563 130.3848 6.98_343.0588m/z 343.0587536 6.98 813.0835 811.9301 823.7504 745.1219 925.8104 755.3107 6.98_394.2027m/z 394.2027202 6.98 1449.2411 1499.1814 1479.6537 1467.7119 1454.5894 1462.2854 7.00_186.0716m/z 186.0715854 7.00 701.1208 771.4669 663.6493 690.8578 660.6189 750.5836 7.00_247.5706m/z 247.5705709 7.00 82.9780 93.6232 69.8035 91.3792 90.2412 93.3216 7.00_316.2107m/z 316.2106853 7.00 1845.8317 1978.1931 1779.0560 1823.5609 1733.8780 1890.5895 7.00_320.1389m/z 320.1389133 7.00 8555.0828 8102.3373 8421.8100 8470.1814 8177.3034 8459.2046 7.00_398.1442m/z 398.1442334 7.00 13778.0190 14743.5243 14051.6236 14164.0588 14114.5866 14023.9743 7.02_132.0334m/z 132.0334225 7.02 154.9419 167.8239 146.7039 147.7343 136.0224 191.6978 7.04_144.0452m/z 144.0451835 7.04 576.0901 541.2349 601.1657 554.6933 598.4399 585.0984 7.04_330.2266m/z 330.2266219 7.04 15826.8875 18419.0195 17144.7670 16856.3845 17151.7487 17312.9619 7.04_545.1911m/z 545.191141 7.04 1996.7047 2317.0837 2147.4828 2125.1538 2150.9302 2117.3253 7.05_195.0920m/z 195.0919573 7.05 3303.4516 3675.2578 3806.3723 3587.5445 3718.2278 3707.7137 7.05_209.5668m/z 209.5667567 7.05 33.8731 32.0033 41.1472 36.9083 35.8034 45.2248 7.05_213.0966m/z 213.0966451 7.05 2118.1331 1759.3710 2026.6460 1968.6745 1999.6219 2081.4773 7.05_231.0962m/z 231.0962215 7.05 1724.7586 1756.6580 1769.0646 1796.7719 1707.8699 1765.4309 7.05_263.1417n 247.1191446 7.05 7893.4415 8757.6979 8802.7460 8898.6999 8311.8814 8855.1909 7.05_285.0554m/z 285.0554179 7.05 1678.7728 1674.9640 1848.7898 1724.4963 1778.2937 1808.7058 7.05_311.1086n 312.1159258 7.05 49038.8180 61315.7277 63729.9897 63644.9556 61771.5945 64015.6929 C17H17N3OS Fenamidone MEDIUM 7.05_312.1684m/z 312.168436 7.05 293.3714 632.7565 761.1046 740.1294 614.2700 439.1973 7.06_221.1068m/z 221.1068369 7.06 15201.4346 18076.7299 18239.1157 18039.5025 17514.5911 18017.0299 7.07_342.2269m/z 342.2269081 7.07 19504.4419 22861.3184 21139.4638 21492.1287 21231.6355 21601.5366 7.07_400.1681m/z 400.1681395 7.07 20267.6716 25679.4986 26044.9763 26516.6839 25467.4169 25516.2459 7.08_124.0078m/z 124.007804 7.08 215.4957 205.0506 207.8975 219.2020 205.7445 212.7885 7.08_127.1030n 111.0804475 7.08 534.8024 584.8199 567.0861 582.1136 584.0410 560.2554 7.08_157.0560m/z 157.0559907 7.08 2314.4963 2238.1560 2209.6904 2294.9192 2166.7431 2242.4730 7.08_157.5580m/z 157.5579887 7.08 58.4912 65.8823 67.1227 52.1896 76.5830 74.3572 7.08_185.0239m/z 185.0239214 7.08 1320.4623 1234.2451 1253.3215 1273.6328 1231.9656 1306.4411 7.08_276.6226m/z 276.6226115 7.08 189.0695 226.3132 205.2534 209.7134 202.9815 219.1171 7.08_283.1006n 301.108964 7.08 14440.0684 14307.3371 14376.8791 14294.4052 14235.5510 14415.0740 7.08_304.0183m/z 304.0183111 7.08 396.0327 437.7763 360.8495 420.4318 437.3774 422.3520 7.08_551.2285m/z 551.2285341 7.08 1525.3014 1830.0292 1601.7622 1627.7363 1653.0350 1690.2977 7.08_83.0858m/z 83.08576673 7.08 168.9262 186.5129 189.3099 186.5865 206.6858 196.1314 C6H12O Cyclohexanol Cyclohexanol 18099 MEDIUM 7.09_100.0675n 101.0711589 7.09 269.4061 273.9893 291.7337 234.3913 304.0942 281.5931 7.09_147.0777m/z 147.0776616 7.09 1970.2259 2064.6264 1951.4736 1996.5805 1951.0934 2002.3275 7.09_148.5527m/z 148.5527479 7.09 42.5959 49.4773 45.6147 35.1768 42.9267 56.4625 7.09_246.1477m/z 246.1476576 7.09 261.4795 280.9501 281.4280 239.0772 288.6847 286.5613 C15H16O2 Bisphenol A Bisphenol A HMDB32133 80-05-7 HIGH 7.09_256.1445n 257.1488323 7.09 32420.3862 36612.3293 35187.8405 34033.1669 35351.8465 35388.7495 7.09_279.1287m/z 279.1286991 7.09 46513.7746 50487.0789 47913.8274 48568.3968 48526.2437 48900.3948 C18H20N2S Methdilazine 774910 MEDIUM 7.09_295.5961m/z 295.5961354 7.09 78.1186 102.5169 100.2101 88.9031 99.9082 90.2737 7.10_105.0699m/z 105.0699144 7.10 260.5848 289.4004 280.6979 262.6132 292.5388 269.8519 C8H8 Styrene Styrene 27452 MEDIUM 7.10_170.1537m/z 170.1536841 7.10 365.2870 385.5988 368.4883 355.0977 344.5838 362.1314 7.10_249.6103m/z 249.6102798 7.10 61.1332 74.7689 55.0566 52.9914 67.8717 58.7521 7.10_479.1766n 497.2104239 7.10 7854.3804 9295.3518 8438.5744 8498.2478 8576.0944 8607.8946 7.10_872.1880n 855.1846693 7.10 672.7595 1498.1671 1000.0728 948.4759 1051.3332 1075.9521 7.11_107.0858m/z 107.0857691 7.11 435.0415 529.0447 478.2814 489.8562 471.0385 509.3855 C8H10 p-Xylene p-xylene 27417 MEDIUM 7.11_153.0219m/z 153.0219187 7.11 857.5287 804.3497 799.7275 762.5876 823.7268 810.0609 7.11_155.1356n 156.1382412 7.11 829.5754 772.6661 795.1236 769.6453 777.5284 773.8353 7.11_166.0995n 149.0962579 7.11 4184.5971 4301.7956 4177.9203 4258.4601 4235.5862 4367.0526 C10H14O2 "2-tert-Butyl-1,4-benzenediol" 78886 MEDIUM 7.11_225.1093m/z 225.1092502 7.11 49470.5578 53199.4524 50643.7674 51421.0565 52191.0123 52785.4231 C10H18O4 Sebacic acid Sebacic acid 41865 MEDIUM 7.11_241.0747m/z 241.0747029 7.11 17968.1141 17486.4964 17414.6198 17804.5181 17634.4520 17925.3538 7.11_257.0462m/z 257.0461908 7.11 1001.8866 1122.7597 969.8992 1150.6341 903.4495 979.0369 7.11_443.1920m/z 443.1920021 7.11 9905.1253 11527.1283 10380.3011 10523.4552 10492.4249 10807.5279 7.11_780.1715m/z 780.1715385 7.11 2220.2832 3218.9966 2573.3992 2696.0757 2599.6085 2578.9354 7.11_914.1819m/z 914.1819072 7.11 134.1651 593.4597 352.2340 331.3826 429.2067 417.5719 7.11_93.0702m/z 93.0701675 7.11 244.1260 297.0461 252.2319 261.2630 268.6142 266.0899 C7H8 Toluene Toluene 17578 MEDIUM 7.12_142.0125m/z 142.0124809 7.12 1446.9197 1530.4216 1258.2325 1569.8853 1248.8340 1427.0915 7.12_363.1938m/z 363.1937664 7.12 2064.3249 2029.4724 2141.7109 2088.1627 2104.6587 2135.3711 7.12_585.6295m/z 585.6295291 7.12 176.5552 210.3822 205.5385 202.9320 184.0048 214.8456 7.13_488.1555n 489.1627595 7.13 6970.3099 8068.2747 7554.2784 7554.4864 7578.0797 7797.2630 7.13_759.1991m/z 759.1990956 7.13 5694.6573 8298.2290 6723.1383 6919.4695 6587.6238 6776.7522 7.13_775.1977m/z 775.1976536 7.13 955.1847 1195.7510 1110.8603 1076.2618 1031.7559 1078.0092 7.13_843.1787m/z 843.1786756 7.13 865.3695 1220.8019 875.5309 816.7275 945.0264 872.9097 7.13_848.1999n 831.196571 7.13 1549.1626 2764.0632 1979.9219 2129.8481 1929.3253 2087.4800 7.13_879.1887m/z 879.1887175 7.13 293.0659 580.3968 338.5880 384.0881 354.6430 405.0774 7.13_911.1993m/z 911.1993475 7.13 189.0297 551.9517 338.1979 239.6208 345.1308 261.7387 7.14_222.0462m/z 222.0461886 7.14 180.4775 205.2432 186.1562 208.4825 215.4206 195.7012 7.14_243.0606m/z 243.0605614 7.14 4626.8437 4441.2069 4483.1114 4472.2035 4504.0779 4538.8723 C12H11N4O3 Furafylline Furafylline HIGH 7.14_268.5723m/z 268.572264 7.14 101.3158 153.2661 125.8912 98.5963 164.7126 115.4388 7.14_293.0605m/z 293.0605081 7.14 4014.4894 3866.9370 4039.3190 4002.2937 4054.9211 3961.4906 C14H15NO7 Amosite asbestos 46678 MEDIUM 7.14_333.0490m/z 333.0490258 7.14 6283.6476 6069.6950 6073.0089 6175.7364 6037.4869 6120.3031 7.14_357.0152m/z 357.0151715 7.14 619.4202 568.7027 617.1306 554.4246 603.9612 589.2263 7.14_391.1872m/z 391.1872207 7.14 2367.9022 2461.4344 2334.9775 2453.7206 2344.9260 2499.4211 7.14_534.1257n 535.1329544 7.14 4277.8490 4853.9753 4533.2373 4630.3549 4651.7801 4635.0963 7.14_821.1766m/z 821.1766226 7.14 696.4878 1001.8787 853.2808 861.9611 817.2319 875.9802 7.14_827.1793m/z 827.1793069 7.14 1235.4827 1906.0899 1435.4681 1531.8896 1532.7815 1492.2133 7.14_882.1726n 883.1798706 7.14 579.5015 1056.4135 661.1309 658.2780 648.4117 780.0240 7.14_889.1802m/z 889.1802109 7.14 616.8335 1093.0160 787.0636 646.6979 808.8752 792.8467 7.14_937.1996m/z 937.1996383 7.14 115.2199 464.1426 275.3562 242.2274 200.0633 308.8613 7.15_316.2097m/z 316.2096526 7.15 3482.2530 3796.4662 3646.0045 3557.7148 3718.2291 3690.5964 7.15_328.2097m/z 328.2096684 7.15 3014.9342 3345.4807 3111.2057 3281.7417 3110.8304 3186.1725 7.16_133.0644m/z 133.0644187 7.16 719.6373 749.8515 683.2802 723.1493 711.6932 696.2624 7.16_161.0515m/z 161.0514759 7.16 826.2277 880.1983 837.4813 846.0859 895.6148 828.1521 7.16_241.1671n 242.174188 7.16 544.6612 625.5972 589.6042 546.5826 593.8153 573.1543 7.17_304.2112m/z 304.2111624 7.17 7687.1003 9027.1588 8189.3961 8190.2680 8239.7526 8553.4257 7.17_369.6424m/z 369.6423847 7.17 47.1312 77.7699 65.8220 70.6831 71.1177 44.5465 7.17_521.2537m/z 521.2536684 7.17 2368.9676 2367.6876 2254.3699 2396.8935 2410.6566 2532.7061 7.18_516.3098m/z 516.3097735 7.18 317.5283 478.2420 358.0227 300.3510 332.8719 375.1850 7.18_701.3162m/z 701.3161758 7.18 816.4314 981.6958 888.9148 853.3310 851.8766 929.8044 7.20_139.1034n 123.0808243 7.20 704.7643 718.2780 733.2832 742.7668 682.8163 715.2870 7.20_388.2310m/z 388.230959 7.20 1525.0006 1788.6216 1640.9896 1688.5593 1632.6478 1718.5583 7.20_444.2427m/z 444.242683 7.20 1619.2759 1797.9915 1768.1878 1726.1109 1710.4927 1811.8566 7.21_361.1348m/z 361.1348491 7.21 4030.6484 4210.6531 4097.1099 4196.0470 4133.5596 4261.3697 7.22_271.0786m/z 271.0786231 7.22 72497.6678 81093.6340 76761.4913 77459.3303 77977.4472 78487.4755 7.22_288.1947m/z 288.1947152 7.22 814.3309 969.8665 954.4793 1079.5943 939.6001 977.3068 C18H22O2 Estrone Estrone 17263 MEDIUM 7.23_229.0162m/z 229.0161574 7.23 649.3885 656.6005 700.2102 616.1509 707.1676 704.4685 7.23_231.5697m/z 231.5697034 7.23 62.7815 65.3517 90.2841 66.1422 83.9852 73.4454 7.23_302.1944m/z 302.1943757 7.23 573.0290 691.5704 565.0866 630.5687 594.2962 542.4769 7.23_325.1333m/z 325.1333046 7.23 5872.2435 5923.2033 5916.2604 5843.7705 5792.6230 5869.0349 7.23_343.2221m/z 343.2220976 7.23 7523.3298 7906.9029 7813.1144 7672.8027 7924.3937 7966.7932 7.23_387.1303m/z 387.1303125 7.23 8113.7980 8867.2328 8413.6412 8483.7878 8391.5532 8470.8648 7.23_443.2304n 461.1379587 7.23 8745.3100 9687.4105 9051.0097 9260.9487 9045.8330 9200.4670 7.24_100.0761m/z 100.0761197 7.24 244.0260 283.6763 289.9705 275.7657 280.5282 244.9358 C5H11NO2 L-Valine Valine 16414 MEDIUM 7.24_158.1161m/z 158.1160656 7.24 1345.7857 1440.8541 1378.6895 1349.6826 1416.0449 1459.9562 7.24_197.0780m/z 197.0779782 7.24 7374.5634 7271.1729 7223.3366 7362.3847 7204.8413 7379.2309 7.24_212.0360n 213.0434901 7.24 10577.0483 9856.2186 10335.2863 9909.0166 10315.0505 10468.8130 7.24_242.0229m/z 242.0229099 7.24 194.9446 185.0623 204.1999 169.6282 194.9443 209.6011 7.24_495.1908m/z 495.1907811 7.24 2216.3336 2258.3928 2276.6789 2200.4504 2222.9277 2141.6472 7.24_580.8158m/z 580.8158056 7.24 227.7619 327.1225 301.7115 259.8579 272.5280 285.1540 7.24_83.0860m/z 83.08601817 7.24 169.1121 130.0912 126.9278 145.3807 135.0112 136.5859 C6H12O Cyclohexanol Cyclohexanol 18099 MEDIUM 7.24_839.4238m/z 839.4237821 7.24 268.6758 663.3267 343.5822 331.5834 351.7900 363.7238 7.24_86.0971m/z 86.09705363 7.24 219.9578 232.3765 227.1355 233.2191 222.5515 227.6069 7.24_889.1661m/z 889.1660646 7.24 248.6239 481.5382 286.7740 243.8033 435.7186 283.1533 7.25_231.1832n 232.1901458 7.25 1068.7714 1112.4568 1156.2496 1089.4178 1107.3476 1136.7639 7.25_295.0638n 318.0541985 7.25 11058.7364 12696.3309 11275.6830 12260.1598 11169.3217 12188.4140 7.25_347.0877m/z 347.0876849 7.25 6092.7759 6568.6626 6285.6635 6324.3039 6327.4952 6429.9778 7.25_414.1529m/z 414.1528967 7.25 6137.3086 6169.8460 6188.7454 6140.9816 6100.8847 6210.7036 7.25_508.7893m/z 508.7893288 7.25 275.4925 359.3559 312.2388 297.0603 297.5451 302.4089 7.26_195.0935m/z 195.0935026 7.26 1718.1759 1713.3127 1722.5005 1727.7682 1757.0682 1756.8853 7.26_251.0846m/z 251.0846437 7.26 1872.8570 1989.5195 1834.5134 1810.8018 1797.8756 1815.0599 7.26_285.5673m/z 285.567285 7.26 75.0630 88.6783 83.8915 77.4065 72.7267 44.1550 7.26_312.1163m/z 312.1163046 7.26 28501.3194 31952.7289 33141.8944 33652.4581 32330.9582 32455.3272 7.26_346.2210m/z 346.2209799 7.26 3837.2362 4459.4416 4088.4309 3921.9104 4111.1906 4199.0412 7.26_532.1753m/z 532.1752981 7.26 10916.6305 12472.2857 11673.0794 11549.6484 11663.6177 12024.4781 7.26_731.2049m/z 731.2049081 7.26 3016.7204 3765.5845 3225.7903 3318.3744 3304.8076 3307.5523 7.27_159.0688n 142.0654784 7.27 3053.8932 3311.4424 2981.6274 3171.7769 2971.1839 3155.1595 7.27_169.0533n 170.0605697 7.27 39057.1751 44484.0114 41553.5989 40930.3282 40208.5852 41104.1493 7.27_267.0752m/z 267.075242 7.27 4805.0970 6280.6046 4916.9876 5618.3953 4860.9352 5379.7384 7.27_283.0395m/z 283.0395296 7.27 1174.6492 1242.5574 1143.8901 1134.5782 1106.7066 1155.3959 7.27_288.0829m/z 288.0828665 7.27 1273.2176 1392.1438 1160.4893 1311.1489 1187.5183 1269.9375 7.27_657.1803m/z 657.1803397 7.27 4044.1361 4483.2482 4289.1301 4073.9146 4153.1609 4230.0436 7.27_771.1931m/z 771.1931263 7.27 1641.6811 2492.4755 2019.7681 2143.9486 1980.2403 1916.8989 7.27_98.0218m/z 98.02177313 7.27 74.7248 79.0469 92.9260 66.1969 84.6195 80.6672 C2H5NO2 Glycine Glycine 15428 MEDIUM 7.28_163.0760m/z 163.0759989 7.28 1183.4839 1310.7437 1184.7479 1174.5260 1175.9294 1219.7650 C10H12O3 3-Methoxybenzenepropanoic acid 3-Methoxybenzenepropanoic acid HMDB11751 HIGH 7.28_225.1586m/z 225.1585965 7.28 280.2689 295.2951 307.8246 280.0730 277.9174 288.3605 C12H17NO2 Fenobucarb 34304 MEDIUM 7.28_316.2098m/z 316.2097682 7.28 1159.6608 1150.4832 1129.0366 1139.0640 1197.5787 1137.0368 7.28_374.2512m/z 374.2511571 7.28 496.5281 494.3121 428.9585 453.8343 480.2666 488.3657 7.28_428.0408m/z 428.0408411 7.28 953.5275 1028.5928 936.8799 953.5926 910.7447 929.1694 7.29_191.0702m/z 191.07021 7.29 4710.7916 5015.2246 4735.7323 4778.4743 4768.6979 4889.0804 C11H12O4 Monoisopropyl phthalate 35118-50-4 HIGH 7.29_262.0919n 263.0991341 7.29 22756.5086 22712.4918 22322.4662 22797.8808 22399.0694 23018.5427 7.29_263.5973m/z 263.5973247 7.29 372.3051 443.4431 402.6717 395.2801 412.2826 380.8159 7.29_274.1993m/z 274.1993378 7.29 13142.0034 14724.1177 13942.4485 13724.7350 14028.9359 14207.8377 C19H30O2 Dihydrotestosterone 5beta-Dihydrotestosterone 16330 MEDIUM 7.29_274.5878m/z 274.5878356 7.29 113.8872 124.9529 144.8446 126.5740 141.3350 138.1123 7.29_282.5705m/z 282.5705109 7.29 208.8775 207.5562 197.6856 200.6498 184.5928 245.5713 7.29_486.2289n 509.2204876 7.29 49986.3795 56516.3357 53524.3425 52671.2444 55472.0703 55672.3596 7.29_524.1772n 547.1672749 7.29 15408.0145 15929.1206 15948.8415 15556.1551 16369.2642 16399.4721 7.29_609.1421m/z 609.1421276 7.29 2620.5051 2434.5500 2520.3583 2500.3494 2493.1866 2586.2376 7.29_85.0291m/z 85.02912561 7.29 276.6825 277.6105 279.8903 243.0207 288.0217 257.4001 7.30_186.0839m/z 186.0839042 7.30 1293.0634 1284.0458 1264.5759 1325.4754 1303.3844 1289.1568 7.30_216.1524m/z 216.1523846 7.30 551.9062 612.3408 534.8214 561.7781 562.7273 567.6073 7.31_256.1056m/z 256.105583 7.31 8624.0067 9018.0466 8560.6206 8928.5874 8615.9295 9054.0832 7.31_256.6077m/z 256.6076551 7.31 1064.1187 1171.7793 1091.5954 1130.7610 1148.6569 1181.2970 7.31_267.5987m/z 267.5986616 7.31 505.3243 503.2604 529.4864 504.4704 526.9330 523.5986 7.31_275.5811m/z 275.5810772 7.31 187.7870 219.3879 192.1107 238.0674 211.7015 245.8567 7.31_303.5742m/z 303.5742288 7.31 41.2936 37.1367 47.5248 51.8381 33.9486 30.0450 7.31_321.5797n 305.5778636 7.31 120.6310 167.3895 125.5779 141.4244 151.9994 132.6106 7.31_431.1041m/z 431.1041328 7.31 2948.0383 3159.3249 2959.2215 2930.2825 3115.8703 3021.4204 7.31_472.2511n 495.2413504 7.31 124129.5235 142235.8240 133448.2515 133714.8501 137469.1178 140197.2183 7.31_517.2187m/z 517.2187001 7.31 30230.6018 30918.9876 31284.1440 31424.3067 32119.5203 32611.8504 7.31_579.1833m/z 579.1832542 7.31 5154.5475 5237.3615 5104.4313 5218.6265 5100.7732 5264.8818 7.32_134.0968m/z 134.0967871 7.32 1568.9336 1651.7894 1595.5236 1589.9387 1578.1466 1670.7933 C9H11N Tranylcypromine MEDIUM 7.32_197.1256m/z 197.1256274 7.32 542.0846 562.9594 532.2263 559.8859 521.7770 559.0163 7.32_239.1358m/z 239.1357715 7.32 4248.9957 4464.5537 4224.0549 4273.9033 4220.3533 4491.7051 7.33_227.6047m/z 227.6046944 7.33 106.1993 126.6880 92.7877 115.8370 94.2925 105.7754 7.34_249.1151m/z 249.1151225 7.34 24627.5845 24940.0360 24279.9104 24783.8530 24758.3985 25500.4709 7.34_249.6184m/z 249.618409 7.34 2691.2350 2821.1459 2697.5900 2680.8707 2756.1888 2884.9497 7.34_260.6068m/z 260.6068158 7.34 72.8325 92.3253 48.5304 45.7623 67.7957 72.4176 7.34_314.5918n 298.5879104 7.34 160.1813 174.1624 155.2030 193.2257 167.8938 178.3584 7.34_458.2720n 481.2620945 7.34 264075.8295 297649.2651 281996.1260 285734.7210 293411.2936 295458.4059 7.34_477.1707m/z 477.17068 7.34 2808.4981 3374.5571 2914.0373 2911.7860 2970.6625 2978.5522 7.34_481.3311m/z 481.3311143 7.34 964.7822 958.5299 1027.7152 1032.1080 1099.2287 1146.2499 7.34_481.4424m/z 481.4424427 7.34 4286.7953 5313.8709 4594.2654 4618.6981 4897.5236 4662.4223 7.34_543.2157m/z 543.2157143 7.34 16589.2526 17259.3942 16663.5886 16725.4487 16807.8796 17125.9142 7.34_861.3030m/z 861.3030446 7.34 405.6249 640.0834 474.1453 403.9002 430.0830 515.7853 7.35_165.0890m/z 165.0890163 7.35 4410.6687 4582.0675 4426.9168 4510.0172 4518.3140 4569.4507 7.35_281.0991m/z 281.0991471 7.35 14246.9065 12796.6133 13390.9403 13784.6634 13240.9906 13733.8324 7.35_318.1696m/z 318.1695741 7.35 7777.8173 8756.0246 8827.4655 8858.2036 8833.9916 9136.2272 C18H25NO5 Senecionine CHEBI:9107 MEDIUM 7.35_328.1084m/z 328.1083696 7.35 214.0005 276.8953 232.3351 220.3496 227.4428 250.5967 7.35_371.2288n 372.139596 7.35 11600.4347 12882.6482 11973.3616 11868.1310 11933.6543 12344.8329 7.35_400.1681m/z 400.1680995 7.35 8789.6055 10140.6591 10151.9731 10470.5069 10331.1012 10348.8474 7.36_197.0488m/z 197.0488149 7.36 3402.8358 3284.8076 3059.9129 3370.3880 3053.5442 3232.4662 7.36_241.1037m/z 241.1036868 7.36 15512.7210 16489.4381 15718.0892 15675.3480 16033.0941 16394.4184 7.36_257.0702m/z 257.0702355 7.36 4749.5457 4634.0606 4747.3099 4574.0019 4689.5571 4891.5186 7.36_430.2187m/z 430.2186776 7.36 1247.8295 1249.9426 1171.4063 1166.5569 1152.1461 1247.5514 7.36_433.1334m/z 433.1334012 7.36 13767.7284 16421.6360 14683.6548 14839.8402 14911.2858 15431.1505 7.36_475.1804m/z 475.180444 7.36 1111.3925 1226.7973 1086.3261 1124.9175 1108.9026 1147.1601 7.37_109.1017m/z 109.1016919 7.37 103.3658 110.2715 99.3360 107.5532 97.8307 111.2458 C8H14O 2-Octenal MEDIUM 7.37_221.0126m/z 221.0126482 7.37 482.2994 419.8624 466.4371 433.2938 451.7904 484.0119 7.37_346.1223m/z 346.1222919 7.37 15130.9796 17239.8868 16351.3507 16527.5415 16508.0695 16802.5444 C17H19N3O3S Omeprazole Omeprazole 7772 MEDIUM 7.38_184.0567m/z 184.056708 7.38 951.8780 917.4414 922.7282 943.3860 934.7152 963.0655 7.38_368.2041m/z 368.2040894 7.38 3889.2555 4213.5772 3897.4190 3916.7400 3995.5029 4095.7393 C19H26O6 Diacetylverrucarol MEDIUM 7.39_312.2162m/z 312.2162426 7.39 4221.3404 4567.9575 4320.2883 4269.3819 4226.7456 4419.4828 C22H32O2 Retinol acetate 32095 MEDIUM 7.39_418.2784m/z 418.2784426 7.39 315.8689 400.0352 332.3221 315.6432 368.4193 366.8729 7.39_433.2359m/z 433.2358987 7.39 10551.0018 12908.0701 11381.2807 11535.9538 11883.5735 12099.0187 7.39_615.6267m/z 615.6267458 7.39 142.4596 154.8046 127.0109 125.5403 153.0135 172.7145 7.42_255.0556m/z 255.0555903 7.42 2050.9111 1770.2541 1989.5532 1881.2312 1925.3838 1976.6774 7.43_183.0903m/z 183.0903321 7.43 4647.5300 4460.3112 4523.6069 4549.8442 4505.7309 4584.9783 7.43_187.0065m/z 187.0065184 7.43 2289.9582 1910.2358 2075.7340 2070.7779 2062.7672 2125.8959 7.43_214.0184m/z 214.0183991 7.43 2534.6717 2318.4475 2480.0115 2399.5880 2473.4907 2512.4894 7.43_216.0341m/z 216.0340895 7.43 1103.5123 972.2196 996.7303 1039.6617 1012.9017 1074.7935 7.43_239.0890m/z 239.0890089 7.43 17311.0778 18661.4135 17765.2328 17967.2485 18486.7955 18516.5592 7.43_260.0231m/z 260.0230898 7.43 6077.4424 5347.2600 5679.7313 5774.5793 5779.6046 5978.6968 7.43_275.9965m/z 275.9964556 7.43 980.9981 894.5118 826.4892 983.8368 878.9890 916.1891 7.43_283.9895m/z 283.9894594 7.43 716.0970 610.6545 793.6092 632.5717 706.6068 730.5928 7.43_285.9864m/z 285.9864298 7.43 431.2685 344.0206 382.1939 351.3779 383.2190 431.6799 7.43_361.1384m/z 361.1383716 7.43 4592.0236 4813.9956 4585.3814 4615.2128 4564.7135 4681.6357 7.43_389.0923m/z 389.0922764 7.43 8952.8570 9376.4274 8973.9208 9188.4329 9049.9985 9216.2549 7.43_414.2362m/z 414.2362276 7.43 2480.2340 2444.9328 1492.2322 3237.1674 1432.3231 2318.7648 7.43_93.0703m/z 93.07032386 7.43 225.2579 222.6343 199.0537 215.7764 206.3614 211.4933 C7H8 Toluene Toluene 17578 MEDIUM 7.44_103.0546m/z 103.0546173 7.44 1690.8505 1818.8496 1829.3648 1745.3242 1716.2393 1787.8355 C8H8O Phenylacetaldehyde Phenylacetaldehyde 16424 MEDIUM 7.44_119.0491m/z 119.0490748 7.44 108.5764 125.8333 112.8989 90.5713 108.3530 110.0171 C8H8O2 Phenylacetic acid Phenylacetic acid 30745 HIGH 7.44_135.0811m/z 135.0811277 7.44 2281.0534 2428.9726 2339.0325 2472.3281 2345.1597 2427.4626 7.44_228.0631m/z 228.0631362 7.44 5477.9431 5739.9970 5628.5004 5485.2883 5698.4173 5776.1856 C11H11NO3 o-(2-Propynyloxy)phenyl methylcarbamate MEDIUM 7.44_349.0905m/z 349.0905295 7.44 6795.5634 8154.4821 7347.8333 7362.7667 7712.3899 7672.5763 7.44_411.0596m/z 411.0596073 7.44 896.0202 815.4689 881.9256 801.3519 883.9565 894.4630 7.44_419.0972m/z 419.097155 7.44 3851.5664 3928.7428 3826.9940 3904.9436 3953.1899 3952.9430 7.44_451.1289m/z 451.1289013 7.44 7619.3380 7983.8472 7703.6979 7713.0918 7779.9032 7785.7478 7.44_691.1676m/z 691.1675793 7.44 11313.5376 13281.1492 11913.3409 12131.7209 12208.3882 12339.9632 7.44_77.0384m/z 77.03841024 7.44 201.8747 199.0543 201.8167 218.4519 223.2279 215.7714 C6H6O Phenol Phenol 15882 MEDIUM 7.44_926.1498m/z 926.1498375 7.44 921.1493 1431.0774 1126.9353 1203.1908 1177.2655 1208.7042 7.44_937.1800n 921.1574328 7.44 1919.6776 3026.8400 2288.7775 2161.1687 2121.5470 2158.0525 7.44_974.1762m/z 974.1762079 7.44 219.3556 357.3302 153.7684 194.1092 221.4172 239.5341 7.45_131.0510m/z 131.0510452 7.45 6859.8081 7197.8956 7291.4142 6998.7992 7280.0952 7311.0844 7.45_205.0182m/z 205.0181762 7.45 375.9793 279.9248 336.3662 326.4573 307.8486 327.4531 7.45_230.0729m/z 230.0729173 7.45 2928.3517 3123.3676 3626.6729 3667.0072 3367.7255 3461.9198 7.45_244.0297m/z 244.0296683 7.45 4237.9978 3911.1771 4200.4827 4100.8635 4210.4904 4213.8399 7.45_345.2142n 346.2220903 7.45 29165.6523 33134.3266 30962.6773 30694.4670 31541.8946 32045.5926 7.45_430.1174m/z 430.1174127 7.45 3609.0972 3902.4365 3719.2965 3689.8223 3850.6163 3788.1521 7.45_449.1929m/z 449.192933 7.45 9208.7585 9840.6358 9510.4391 9258.4973 9656.0953 9557.7452 7.45_479.1766n 480.1839073 7.45 6832.7842 7700.8954 7134.1559 6812.6685 6791.2562 6841.5960 7.45_502.1401m/z 502.1401185 7.45 5912.7097 7646.3118 6017.4065 6791.5687 6152.5294 6451.3731 7.45_561.1671m/z 561.1671214 7.45 4399.6123 4885.7066 4461.1972 4600.8125 4551.6517 4567.0794 7.45_665.1760m/z 665.175994 7.45 9018.8655 10445.3248 9567.0171 9450.9242 9552.4320 9582.8002 7.46_123.0810m/z 123.0810285 7.46 2310.4483 2286.3439 2252.3403 2215.8723 2224.3181 2281.9098 C8H10O 4-Ethylphenol 49584 MEDIUM 7.46_187.0788m/z 187.0788387 7.46 2644.5761 2760.8383 2686.9456 2650.4072 2667.0613 2729.2885 7.46_196.0196m/z 196.0195541 7.46 276.5662 311.7134 388.2776 260.5658 373.3545 306.2927 7.46_209.0785m/z 209.078465 7.46 7797.9428 7750.6844 7630.7095 7833.7592 7884.5735 8008.5105 7.46_225.0429m/z 225.0429289 7.46 3576.6136 3301.6824 3357.6951 3453.9773 3461.6686 3545.0600 7.46_316.1113m/z 316.1113211 7.46 4700.4606 5503.1563 5027.3181 5128.5534 5089.9208 5184.3757 7.46_337.0939m/z 337.0938891 7.46 3214.0028 3430.2513 3330.1403 3321.9988 3407.0538 3459.3740 7.46_411.1315m/z 411.1315367 7.46 3679.3204 3753.4919 3752.8628 3698.6840 3762.1172 3848.2039 7.47_243.0842m/z 243.0841576 7.47 1798.6289 1927.5112 1689.7732 1782.0477 1681.1432 1772.5595 7.47_249.0090m/z 249.0089572 7.47 278.9130 285.5892 278.4267 299.1537 294.0781 248.2206 7.47_81.0701m/z 81.07012718 7.47 162.3386 144.5443 149.6678 173.8177 124.4122 160.5118 C6H10O 2-Hexenal MEDIUM 7.48_372.2370m/z 372.2370451 7.48 5518.0481 6160.7182 5701.2913 5802.6877 5614.6740 5888.3655 7.49_193.9937n 216.9836113 7.49 907.3677 766.4226 860.3418 800.5255 852.5926 818.2003 7.49_240.0067m/z 240.0067046 7.49 943.3729 792.5422 809.7745 816.0395 840.2360 829.9269 7.49_416.2620m/z 416.2619815 7.49 305.7657 412.6519 370.1522 323.3782 377.8069 358.5132 7.50_105.0342m/z 105.0341993 7.50 3361.7762 2974.9407 3183.0541 3180.5907 3262.9218 3145.8189 7.50_107.0493m/z 107.0493023 7.50 548.2748 570.2262 590.1506 545.8849 522.3657 524.4561 C7H8O2 4-Methylcatechol 4-Methylcatechol HMDB00873 HIGH 7.50_149.9733m/z 149.9732947 7.50 484.2384 374.7084 415.1377 398.2750 413.1475 436.4554 7.50_163.9766n 164.9839118 7.50 344.5684 287.7510 329.5774 297.2034 326.2378 307.7129 7.50_177.9949n 160.9916173 7.50 16618.8600 14271.9976 15451.2594 15532.0853 15663.3663 15201.0874 7.50_193.0147m/z 193.0147019 7.50 801.9811 695.3946 741.0743 743.8761 723.3230 773.2866 7.50_198.0251n 199.0324135 7.50 6555.6415 5866.2304 6527.2557 6387.0732 6591.2429 6475.7848 7.50_223.9999n 207.9821001 7.50 3383.4137 2895.7336 3169.3418 3061.1360 3047.4129 3068.6429 7.50_231.0115m/z 231.0114781 7.50 370.3631 318.7222 352.9438 326.6739 349.8760 324.0476 7.50_235.0576m/z 235.0575718 7.50 7047.5933 7526.1965 6940.3942 7282.2900 7410.5104 7081.0434 C10H12O5 Propyl gallate MEDIUM 7.50_236.9957m/z 236.9956527 7.50 129.9020 103.4779 152.9016 138.2900 169.2854 165.7159 7.50_266.0428n 267.0501231 7.50 1227.7336 1051.7368 1119.8088 1004.5501 1173.8527 1015.0221 7.50_268.0257n 251.0224559 7.50 4223.3047 4109.5084 4039.4598 4024.0355 4109.0212 3966.5094 7.50_283.0277m/z 283.0276902 7.50 5488.3178 5279.2334 5344.1359 5412.8852 5570.6594 5138.1694 7.50_297.9923m/z 297.9922699 7.50 2382.8952 2194.0250 2333.6369 2218.3815 2309.2935 2058.2058 7.50_306.9957m/z 306.9956587 7.50 311.8834 295.8988 361.2639 267.9363 348.2018 311.0759 7.50_308.9920m/z 308.9920442 7.50 195.0703 200.8015 216.7843 179.9597 205.7755 171.8496 7.50_354.2248m/z 354.2247962 7.50 3039.7402 3210.7256 3114.4506 3051.6783 3045.3894 3063.4775 7.50_458.1209m/z 458.1209294 7.50 5875.2227 5938.9930 5956.2382 5831.4322 5973.5026 5811.6746 7.50_574.1557m/z 574.1557478 7.50 16254.6507 17900.9297 16709.3190 16807.0819 16727.7696 16900.5524 7.50_875.1517m/z 875.1516837 7.50 961.1069 1253.3619 1124.7052 992.3607 1031.5287 1040.6419 7.50_918.1741n 902.1515347 7.50 2228.9984 3814.4447 2619.5289 2687.8797 2954.8144 2652.6429 7.51_139.1120m/z 139.1119504 7.51 136.3389 161.2280 124.4637 152.6204 145.5173 155.1716 7.51_209.0274m/z 209.0274379 7.51 679.6609 754.5907 822.1685 656.0760 742.0221 631.6677 7.51_219.0923m/z 219.0923201 7.51 3639.2539 3837.8902 3637.2722 3714.1530 3695.5265 3655.9044 7.51_221.1074m/z 221.1074036 7.51 24677.4431 27800.3639 25468.3243 25907.7457 25660.6108 25561.6463 7.51_226.5510m/z 226.5509764 7.51 97.3481 90.3962 85.3872 76.8738 106.9717 82.9394 7.51_247.1206m/z 247.1206069 7.51 6637.5191 6958.2722 6620.6826 6521.5967 6590.0831 6674.1800 7.51_360.1018m/z 360.1018325 7.51 8585.7914 9374.6601 8892.5929 8753.6272 8934.9039 8783.9902 7.51_366.1796m/z 366.1796059 7.51 6496.1320 6740.6051 6537.5341 6492.7989 6512.9507 6446.6017 7.51_374.1494m/z 374.1494123 7.51 1404.9802 1494.5667 1509.0459 1461.8860 1530.4798 1518.3734 7.51_394.2432m/z 394.2432383 7.51 2261.1725 2435.4869 2328.6742 2249.4774 2464.6801 2367.4006 7.51_413.1404n 414.1476653 7.51 191902.3307 222854.9545 205993.5088 208980.1675 209700.6491 206183.8650 7.51_414.3147m/z 414.3146816 7.51 2940.0740 4056.4920 3310.0238 3307.7575 3364.6675 2842.8224 7.51_438.2330m/z 438.233038 7.51 4417.4475 4737.2102 4274.7597 4551.3031 4515.3993 4440.2615 7.51_728.1610m/z 728.1609908 7.51 9210.4285 11839.2311 10225.5284 10255.2719 10000.0765 10037.5042 7.51_826.2174n 827.2247033 7.51 431.6303 758.4237 715.9231 614.4460 749.2586 566.7586 7.51_879.1555m/z 879.1555364 7.51 819.5548 1342.1336 1092.3506 1020.0082 1047.4683 946.5573 7.51_912.1449m/z 912.1449312 7.51 556.8636 1063.2674 800.7573 853.9786 870.2589 889.7273 7.51_932.1616n 933.1464415 7.51 1679.1719 2449.1891 2063.8159 2009.8447 2098.3480 1740.0064 7.52_197.1264m/z 197.1264232 7.52 587.8951 648.1813 580.2692 619.4225 601.8456 613.5182 C10H18N2O3 Dethiobiotin Dethiobiotin HMDB03581 MEDIUM 7.52_256.1387n 239.1354405 7.52 7633.7055 7364.5202 7505.3858 7412.0853 7462.9639 7392.5387 7.52_261.1147m/z 261.1146972 7.52 11999.9231 12002.2243 11810.3692 11797.3592 11902.5148 12033.9801 7.52_269.1403m/z 269.140341 7.52 6392.6578 6071.3854 6169.3944 6124.4471 5984.0988 6119.3395 7.52_313.1146m/z 313.1145811 7.52 1628.1824 1742.3254 1667.3661 1666.4799 1737.7992 1728.2795 7.52_565.2792m/z 565.2792304 7.52 1511.4507 1572.3201 1447.0158 1472.3777 1473.9734 1426.4765 7.54_168.0615m/z 168.0614781 7.54 7701.4799 7459.0056 7544.6438 7642.7291 7600.5928 7732.7087 7.54_365.1224m/z 365.122427 7.54 3044.4432 3197.6736 3021.7073 3245.4687 3052.1400 3166.8939 7.54_435.2126m/z 435.2126265 7.54 1385.6520 1560.7033 1553.0537 1489.1349 1471.9477 1522.4700 7.54_739.6201m/z 739.6200812 7.54 99.3138 197.7560 125.7382 211.7372 159.0745 152.7892 7.55_407.2200m/z 407.2200118 7.55 749.4255 611.0117 745.8970 598.9961 664.9030 733.0838 C22H23N5O2 Roquefortine MEDIUM 7.55_414.2385m/z 414.2385048 7.55 2530.5932 2628.9031 3082.6094 2280.0603 3090.1634 2486.9360 7.55_522.1553m/z 522.1552565 7.55 2211.4223 2726.4164 2514.0293 2446.5802 2524.1395 2482.7974 7.56_123.1170m/z 123.1170015 7.56 107.9601 114.8420 107.5565 100.1956 117.3653 102.7392 C9H16O 2-Nonenal MEDIUM 7.57_332.2425m/z 332.2425056 7.57 6475.9913 7994.6868 6883.5248 7269.3842 7299.5524 7396.0286 7.57_442.2688m/z 442.2688353 7.57 942.8884 1102.1701 1002.8934 1051.1077 1176.5403 1053.0750 7.57_442.7718m/z 442.7717915 7.57 263.9703 352.8827 281.2189 269.3861 329.0809 293.3075 7.58_136.9317m/z 136.9317075 7.58 633.3033 511.9808 595.5541 529.2808 560.3942 581.2376 7.58_399.1266m/z 399.1266024 7.58 8698.4278 9363.1381 8978.7888 9009.7447 9111.4648 9066.3396 7.58_415.0919m/z 415.0919403 7.58 2567.5581 2815.0759 2550.6001 2656.0658 2663.6782 2728.9326 7.58_486.0736m/z 486.0736175 7.58 254.6146 234.3909 283.3365 222.4018 289.4915 295.6472 7.58_488.1483m/z 488.14826 7.58 6467.4889 7585.7236 6929.5719 6794.7843 7047.5424 6919.7690 7.59_207.0987m/z 207.0986831 7.59 34410.2227 34450.4695 34109.9578 34467.0013 34244.3235 34638.5601 7.59_316.2109m/z 316.2108752 7.59 2238.5352 2451.2439 2096.2902 2244.4773 2177.7524 2320.7947 7.59_74.9542m/z 74.95418276 7.59 109.6209 82.8548 92.9351 79.9784 94.0142 87.5073 7.61_396.1633m/z 396.1632887 7.61 17829.3027 18516.2297 18121.1581 18132.3253 18265.3779 18356.5958 7.61_480.1836m/z 480.1835587 7.61 1572.1906 1848.6544 1702.4343 1695.3730 1738.8814 1737.3757 7.61_637.3296m/z 637.3296338 7.61 600.2248 777.9423 662.4775 642.2235 620.9601 670.8664 7.62_113.0195m/z 113.019531 7.62 369.1372 285.5181 340.7866 334.5435 345.6265 326.5454 C5H7NO3 Pyroglutamic acid Pyroglutamic acid 18183 MEDIUM 7.62_151.0390m/z 151.0390496 7.62 455.4378 446.9431 453.3246 455.0163 479.4153 470.3109 C8H8O4 5-Methoxysalicylic acid 5-Methoxysalicylic acid HMDB01868 MEDIUM 7.62_284.6030n 285.6103183 7.62 361.9012 466.9334 385.1253 442.2968 450.5148 456.4858 7.62_288.6191m/z 288.619143 7.62 89.7665 73.9245 67.2826 70.7622 82.4844 86.8774 7.62_296.6015m/z 296.6014998 7.62 387.8445 419.7356 414.6897 441.5865 432.5340 458.7329 7.62_304.5838m/z 304.583824 7.62 207.6760 228.7870 194.1536 206.2261 177.2979 185.3110 7.62_530.2518n 553.2462021 7.62 30229.7241 35225.3949 32829.4872 32455.8209 34303.3545 33775.7893 7.62_568.2031n 591.1928398 7.62 7900.0279 8753.2560 8435.4901 8405.0275 8734.6655 8680.0095 7.62_597.1877m/z 597.1876521 7.62 9872.8606 10659.9684 10069.1098 10132.9524 10186.6267 10358.0398 7.62_599.3171m/z 599.3170666 7.62 665.2267 690.5910 689.4692 613.0955 734.2685 659.1733 7.63_273.0823m/z 273.0822692 7.63 6107.1183 6247.1752 6377.9827 6085.5382 6463.7252 6177.6017 7.63_321.1346m/z 321.1345509 7.63 11640.6372 11334.7728 11588.7431 11500.6621 11554.2165 11793.0129 7.63_471.0916m/z 471.0916255 7.63 817.4969 932.1545 876.7414 864.7429 907.9013 968.8253 C21H20O11 Astragalin HMDB37429 HIGH 7.64_277.6139n 278.6211563 7.64 1046.9619 1213.2576 1155.1700 1132.1534 1112.1568 1224.7642 7.64_281.6292m/z 281.6292215 7.64 213.0176 215.0875 227.9146 206.9915 210.9336 214.1781 7.64_289.6120m/z 289.6119561 7.64 782.4560 784.6782 768.8718 827.3317 808.5417 794.6219 7.64_292.6192m/z 292.6192042 7.64 112.1668 99.1075 132.6773 97.9359 112.5685 128.5365 7.64_466.2100m/z 466.2100383 7.64 5359.1006 5553.9498 5383.9133 5391.3429 5530.0235 5426.4991 7.64_561.2492m/z 561.2491923 7.64 14806.3478 15623.9013 15795.1269 15502.2305 16228.8589 16216.6897 7.64_577.2135m/z 577.2134722 7.64 2682.4103 2758.9881 2706.2679 2771.1822 2784.7459 2767.1583 7.64_691.1831m/z 691.1830926 7.64 3160.6050 3847.7811 3486.9488 3331.2860 3462.3085 3595.2124 7.65_125.0965m/z 125.0965151 7.65 343.7474 398.3023 376.3803 395.6087 380.1297 375.7360 C8H14O2 4-Hydroxyoctenal HIGH 7.65_226.1207n 227.1279557 7.65 28898.3656 28990.0424 29278.8088 29340.3652 29670.0399 29992.4140 7.65_286.3399m/z 286.3398861 7.65 18145.2128 21108.5512 19565.5849 19788.8964 20247.4964 19164.2088 7.65_286.3841m/z 286.3840953 7.65 5175.2673 5785.1517 5255.2778 4985.4554 5068.0923 4279.5441 7.65_286.4328m/z 286.4327743 7.65 4426.9467 5109.6939 4559.0813 4243.8622 4444.0703 4824.4404 7.65_286.6651m/z 286.6650617 7.65 3863.3663 4360.1748 4125.0237 4115.5065 4187.5532 4175.6026 7.65_302.2259n 286.2033349 7.65 565983.6199 603642.2000 597991.4985 607622.2537 614393.4177 622674.1561 C20H30O2 Methyltestosterone 27436 MEDIUM 7.65_328.2115m/z 328.2115274 7.65 5585.4166 6022.2299 5872.4566 5826.3627 6092.9520 5876.1303 C22H32O3 Testosterone Propionate 290629 MEDIUM 7.65_432.3468m/z 432.3468286 7.65 141.1725 179.5535 198.0574 201.1255 184.6900 218.2771 7.65_516.2780n 539.2676872 7.65 83669.4324 97839.9883 91478.9004 91185.7116 94106.0700 94379.5625 7.65_571.3948m/z 571.3948187 7.65 605.6330 847.5391 697.8609 711.3363 728.7755 692.6503 7.65_60.0815m/z 60.08148071 7.65 208.7623 212.8080 211.7255 203.3203 230.7302 219.8203 7.65_729.1938m/z 729.1938306 7.65 5750.7223 7140.7818 6262.0176 6141.5576 6429.0628 6298.7102 7.65_739.1948m/z 739.1947663 7.65 2565.7322 3543.5171 2757.1404 2849.6117 2950.3682 2919.8474 7.65_85.0292m/z 85.02920731 7.65 3659.4150 4120.3898 3959.9931 3979.6838 4033.3860 4120.2007 7.65_97.1020m/z 97.10199675 7.65 254.1268 266.9434 254.0328 274.0555 268.6001 261.0894 C7H14O 5-Methyl-2-hexanone MEDIUM 7.66_496.2278n 519.2191429 7.66 7600.0690 8337.3436 8185.0249 7972.4355 8126.1959 8120.5967 7.66_581.1918m/z 581.1918288 7.66 9346.2237 9937.2813 9376.8287 9778.7507 9376.4143 9817.3504 7.66_781.2236m/z 781.2235811 7.66 427.4447 682.5546 533.7248 591.5863 496.9023 470.5475 7.66_839.2354m/z 839.2353512 7.66 212.8243 306.0250 224.4555 188.2201 260.8272 191.6159 7.67_271.1302m/z 271.1301522 7.67 12022.9540 12439.3226 12086.2283 12554.4558 12336.3707 12605.9503 C12H18N2O5 Hypoglycin B MEDIUM 7.67_271.6317m/z 271.6317332 7.67 2123.9307 2250.0271 2194.0870 2204.7048 2261.2675 2241.6150 7.67_282.6225m/z 282.6224732 7.67 296.4256 364.8373 362.9143 334.9800 372.6695 333.8066 7.67_285.0106m/z 285.0105909 7.67 299.3920 285.4051 292.0791 298.0834 295.9583 325.1786 7.67_298.1995m/z 298.1995051 7.67 1261.2756 1354.1879 1288.7323 1329.2483 1302.8389 1342.2800 7.67_336.6023n 320.6004561 7.67 57.2195 116.2533 57.5656 69.4056 97.0988 111.4168 7.67_502.2424m/z 502.2424137 7.67 1324.7937 1472.2143 1437.9580 1390.9523 1429.3341 1398.3938 7.67_502.2996n 525.2894395 7.67 213496.0947 245442.7887 233246.2919 232921.7484 240180.4750 239662.7438 7.67_525.4767m/z 525.476714 7.67 2841.1486 3546.1139 3286.7633 3073.1814 3395.8479 3090.8410 7.67_587.2578m/z 587.2578301 7.67 3272.3906 3320.2599 3277.7822 3267.8867 3395.3071 3337.1067 7.67_663.3163m/z 663.3163344 7.67 765.3865 913.2645 773.9739 769.2420 753.3397 801.5150 7.67_787.3043m/z 787.3043378 7.67 842.0963 1116.9482 923.5429 915.3372 1069.3087 1034.0375 7.67_855.2803m/z 855.2803016 7.67 223.3809 368.8637 241.0969 251.3425 282.0668 326.5506 7.69_164.1084m/z 164.1083646 7.69 70.4486 116.9422 79.8166 112.2297 76.1698 82.6434 7.69_168.0977m/z 168.0977016 7.69 1199.7599 1334.8867 1124.7182 1365.2637 1186.1131 1246.6391 7.69_274.1373m/z 274.1373167 7.69 1045.3056 1028.7014 1087.9736 1019.0026 1117.8465 1039.9397 7.69_290.6625n 274.6399646 7.69 179.9074 220.2970 202.7856 174.7291 126.8385 177.2465 7.69_316.1539m/z 316.1538649 7.69 3543.2649 3954.0634 3840.8756 3741.1895 3944.8255 3845.1859 7.69_554.1448m/z 554.1448361 7.69 1673.5824 2054.9505 1800.8756 1810.5110 1815.0693 1837.8464 7.70_217.0255m/z 217.0254565 7.70 830.7003 961.5077 945.0032 895.2060 970.0438 922.7800 7.70_332.2427m/z 332.2427209 7.70 2628.3543 3072.7633 2965.8929 2797.9534 2980.3187 2868.8334 7.70_346.0673m/z 346.0673211 7.70 1047.6094 1201.8746 1197.7295 1167.5516 1193.3933 1189.3962 7.70_354.2264m/z 354.2263928 7.70 2694.0828 2927.4540 2840.2007 2844.8259 2925.5880 2938.3585 7.71_121.0650m/z 121.0649571 7.71 1145.8840 1087.1881 1166.7436 1162.3863 1131.7315 1133.5443 7.71_149.9570m/z 149.9570445 7.71 183.1767 118.3988 145.6017 130.3107 117.3895 150.3964 7.71_263.0895m/z 263.089516 7.71 3994.7178 4139.4308 4052.5897 4279.3885 4151.0971 4188.4559 7.71_279.0541m/z 279.054125 7.71 1875.9331 1872.1958 1792.9726 1813.7477 1883.9564 1851.5822 7.71_344.2434m/z 344.2433515 7.71 17966.1528 21256.8806 19575.0992 19497.3178 19931.9257 20038.3765 7.72_307.0435n 308.0507848 7.72 3383.7112 3715.3920 3404.1051 3529.3528 3462.3636 3533.5282 7.72_309.0415n 310.0487735 7.72 1358.5931 1381.7780 1448.9011 1407.6711 1383.7181 1365.5535 7.72_367.1396m/z 367.139613 7.72 4690.2415 4679.1187 4642.5323 4834.5730 4641.0056 4860.2694 7.72_371.1651m/z 371.1651304 7.72 2513.8809 3371.7134 2183.0694 3170.9131 2187.5849 2729.7366 C19H25N5O4 Terazosin Terazosin 9445 MEDIUM 7.72_433.1393m/z 433.1393238 7.72 6307.5961 6386.4439 6285.3337 6306.1246 6249.6838 6331.7060 7.72_91.0546m/z 91.05461005 7.72 102.9334 97.7442 97.3581 93.9787 101.2281 87.9338 C7H8O p-Cresol P-Cresol 17847 MEDIUM 7.73_286.2526m/z 286.2526143 7.73 1535.0719 1583.6371 1805.3401 1570.5123 1988.4530 1835.5088 7.74_380.2067m/z 380.206666 7.74 19348.0620 22320.2355 20751.2724 20566.2547 21257.5624 21626.1846 7.74_382.0654m/z 382.065385 7.74 1282.5781 1326.7603 1350.6702 1358.4195 1385.2171 1389.2010 7.74_446.1478m/z 446.1477586 7.74 17693.4113 18397.0063 17668.9265 17963.0496 17766.7897 17995.5983 7.75_171.0810m/z 171.0809933 7.75 3025.0929 3280.0349 3068.6230 3276.5051 3046.3096 3210.3308 C12H10O 2-Biphenylol 17043 MEDIUM 7.75_251.0338m/z 251.0338061 7.75 639.4579 647.5485 569.2314 625.1565 535.1309 541.7687 7.75_328.1110m/z 328.1110264 7.75 509.3511 699.0962 705.0506 759.7179 712.2952 649.4219 7.75_334.9899m/z 334.9898822 7.75 4360.8083 4138.4460 4279.3034 4263.6917 4274.2096 4355.2516 7.75_341.0064m/z 341.0064157 7.75 873.4054 868.9949 840.8839 816.1652 886.0478 828.5292 7.75_381.9804m/z 381.9803968 7.75 435.8254 388.6440 404.9782 414.3284 429.4586 451.1479 7.76_133.0648m/z 133.0647876 7.76 564.7616 657.5609 626.3295 566.9700 632.9902 601.9273 7.76_161.0581m/z 161.0580654 7.76 4498.1540 4196.0986 4412.1253 4334.0498 4370.2938 4473.7207 7.76_185.0614n 168.0580988 7.76 5235.3392 5874.5177 5489.7723 5696.2007 5534.4525 5795.9418 7.76_221.1068m/z 221.1067864 7.76 13722.2198 17911.3038 12584.1844 17336.2424 12906.8127 15322.5668 C13H14N2 "4,4'-Methylenedianiline" 32506 MEDIUM 7.76_242.1307m/z 242.130674 7.76 3686.9482 3971.9908 3857.9165 3906.8375 3901.8095 3970.2843 7.76_244.1259m/z 244.1259259 7.76 1833.3668 2059.3410 1906.2517 1973.6124 1955.5096 1977.6066 7.76_246.1149n 247.1221758 7.76 4146.5449 4125.0058 3994.3229 4118.4292 4018.1524 4142.0392 7.76_366.1762m/z 366.176178 7.76 4612.7174 4224.2565 4447.2526 4306.3705 4399.1852 4469.7998 7.76_370.1225m/z 370.1224572 7.76 31979.2362 36588.7363 34297.6059 34529.3424 35449.6736 35677.5312 C21H26N2OS2 Mesoridazine 6780 MEDIUM 7.76_413.1409n 414.1481903 7.76 81217.8956 94790.2934 87654.7827 89104.7187 90992.6842 92038.7062 7.77_261.1584m/z 261.15839 7.77 356.8952 347.5734 374.0209 292.1303 374.0255 362.9204 C20H23N Amitriptyline Amitriptyline 2666 MEDIUM 7.77_273.0768m/z 273.0768161 7.77 2961.8205 3120.3637 3073.4423 3052.6107 3125.3734 3128.5897 C15H12O5 Butein MEDIUM 7.77_471.0912m/z 471.0912047 7.77 1618.2352 1795.9624 1766.6297 1660.4776 1689.1208 1670.1493 7.78_390.0877m/z 390.0876782 7.78 3784.8327 3861.2022 3667.7407 3736.2706 3720.1075 3785.6773 7.79_123.0811m/z 123.0811192 7.79 687.7012 641.3770 628.5164 672.2051 625.1972 673.0513 7.79_209.0789m/z 209.0788557 7.79 2897.7601 2902.8018 2954.2390 2953.8980 2894.4150 2957.2226 7.79_328.2117m/z 328.2116879 7.79 10602.0301 12083.9078 11248.1969 11330.6944 11427.0774 11637.6783 C22H32O3 Testosterone Propionate 290629 MEDIUM 7.79_476.2448m/z 476.2447553 7.79 1157.5675 1211.0411 1109.2220 1110.4785 1092.7679 1169.4329 7.79_504.2495n 488.2268768 7.79 8386.2473 9012.2206 8605.0796 8463.3811 8788.6616 8826.3969 7.80_215.0620m/z 215.0619662 7.80 6572.3858 6087.2360 6289.2393 6339.4426 6275.5525 6349.5601 7.80_225.0467m/z 225.0467068 7.80 2680.7298 2566.0225 2539.3551 2688.1020 2437.5226 2621.0731 7.80_285.1256m/z 285.1256341 7.80 3737.2020 3844.2061 3938.7857 3849.9391 3886.8643 3883.0389 7.80_843.1958m/z 843.1958168 7.80 569.0267 1153.9513 761.3685 659.9029 856.7427 835.7748 7.80_875.1955m/z 875.1955114 7.80 343.6659 768.0996 529.8291 435.1742 463.2544 563.0033 7.80_899.1915m/z 899.1914558 7.80 275.4444 742.9127 459.0483 418.3800 416.1036 453.9142 7.80_913.1922m/z 913.1921579 7.80 251.0761 481.3559 287.3757 270.5834 305.1923 311.8976 7.81_152.0842n 153.0881782 7.81 5685.8881 5981.0261 5763.3224 5853.0102 5831.7030 5856.5614 7.81_163.0758m/z 163.0757624 7.81 930.0269 977.2630 927.8790 894.7832 887.3111 957.2257 C10H12O3 3-Methoxybenzenepropanoic acid 3-Methoxybenzenepropanoic acid HMDB11751 HIGH 7.81_182.0877m/z 182.0876708 7.81 3697.9403 3809.9298 3834.9048 3704.7026 3692.6294 3757.9387 7.81_193.0540m/z 193.0540315 7.81 3182.0890 3212.9807 3172.2690 3244.4155 3248.4060 3480.0027 7.81_199.0660m/z 199.0659808 7.81 1843.6610 1646.4220 1733.9068 1676.2731 1676.8159 1744.3180 7.81_208.0213m/z 208.0212811 7.81 195.1687 208.2694 197.0467 231.9049 199.5347 233.2771 C7H13O6P Mevinphos MEDIUM 7.81_220.0722n 221.0794622 7.81 29947.7378 29500.6909 32056.3863 28987.8138 33253.4335 31651.2230 7.81_237.0436m/z 237.0435846 7.81 7121.7892 6906.7934 7023.2555 7105.2834 6967.5624 7216.3402 7.81_252.0087m/z 252.0086825 7.81 2472.2798 2381.4135 2474.2850 2289.2443 2417.6403 2411.9596 7.81_261.9995n 263.0071538 7.81 628.9995 634.8501 644.8759 655.5022 633.3766 643.1588 7.81_263.9990n 265.0063072 7.81 380.9157 308.6651 370.8425 316.8345 333.0886 340.8286 7.81_323.6611m/z 323.6610886 7.81 18.2228 53.7366 85.0299 66.7146 43.6009 70.1336 7.81_79.0551m/z 79.05512455 7.81 90.1617 79.1244 71.4111 68.8864 84.5159 79.3487 C6H8O "2,5-Dimethylfuran" MEDIUM 7.81_827.2044m/z 827.2044025 7.81 778.2205 1427.5351 994.9786 1101.4851 1078.0649 1043.7961 7.81_852.1773m/z 852.1773142 7.81 292.7232 462.9294 401.5296 304.8938 315.2699 276.1909 7.81_927.1897m/z 927.1896844 7.81 218.4114 474.6500 206.2374 314.8955 244.4128 330.2982 7.81_93.0704m/z 93.07039521 7.81 269.9521 305.5215 284.4485 288.5545 295.0578 284.7721 C7H8 Toluene Toluene 17578 MEDIUM 7.82_375.1077m/z 375.1077218 7.82 6582.0543 6899.4772 6591.8890 6468.4817 6721.4353 6761.0683 7.82_379.1015m/z 379.1014735 7.82 1882.1255 2214.9828 2102.1818 2106.0925 2073.2179 2126.9642 7.82_839.1876m/z 839.1875621 7.82 1038.9176 1986.8349 1381.4088 1179.0333 1316.8207 1415.2517 7.83_258.1573n 281.1421821 7.83 18619.8550 18432.4861 18339.5393 18113.7523 17859.0853 18424.9323 7.83_336.1194n 359.1327496 7.83 9457.5678 10374.4110 9763.2756 9985.5918 9915.6972 10199.9789 7.83_609.3052m/z 609.3051826 7.83 1651.7332 1774.1957 1681.3195 1588.9652 1784.1793 1734.5307 7.84_235.1689m/z 235.168929 7.84 1232.8233 1327.9291 1312.5029 1150.0859 1207.6272 1276.9419 C15H22O2 Scirpene MEDIUM 7.84_318.2259m/z 318.2258529 7.84 1431.0414 1606.9637 1405.0872 1381.9293 1457.2960 1484.4138 7.84_451.1888m/z 451.1888077 7.84 3957.8072 4251.9569 4000.1034 4044.3069 4007.7253 4047.6435 7.84_513.1658m/z 513.1658158 7.84 8759.2246 8889.9879 8696.1179 8642.3487 8582.2479 8896.2455 7.85_215.5143m/z 215.5142522 7.85 146.7685 163.3772 153.6016 154.2808 152.3489 155.6863 7.85_307.1157m/z 307.1156771 7.85 4671.7028 4679.6778 4365.8312 4748.1227 4482.5767 4680.3411 7.85_430.3309m/z 430.330891 7.85 301.3012 334.5340 301.6798 357.7414 404.7962 309.3636 7.86_141.1280m/z 141.1279643 7.86 334.4861 404.8286 386.3117 337.2157 384.7744 385.7880 C9H18O2 Isoamyl butyrate MEDIUM 7.86_313.1179m/z 313.1179075 7.86 2552.5489 2756.3154 2590.2046 2638.9084 2716.7301 2708.5262 7.86_403.1567m/z 403.1566904 7.86 14200.6739 15583.9741 14400.3360 14641.1666 14873.8666 15034.9620 7.86_419.1247m/z 419.1246755 7.86 3440.6814 3292.1899 3370.7162 3242.9879 3416.7973 3320.9247 7.86_799.2281m/z 799.2280837 7.86 1133.9436 1898.4069 1524.9266 1394.8757 1494.1650 1449.8344 7.87_173.1328m/z 173.1328359 7.87 196.3703 181.0990 181.8956 173.8351 168.6314 195.9290 7.87_387.2037m/z 387.2036706 7.87 3034.8863 3154.9326 2999.0221 3004.9107 3028.6120 3061.3999 7.87_977.3473m/z 977.347316 7.87 228.9015 408.3383 319.2512 248.7212 343.0658 319.1855 7.88_127.0759m/z 127.075873 7.88 370.0656 589.4723 625.5286 710.0937 576.4318 593.5471 7.88_296.2137m/z 296.2137238 7.88 874.4928 1707.4141 1931.2624 2124.7518 1637.9264 1676.1281 7.88_296.7157m/z 296.7156567 7.88 256.4838 486.3122 500.1641 584.5005 466.9441 504.8539 7.88_337.2343m/z 337.234257 7.88 106.5797 204.5151 209.4865 236.2231 176.1198 216.8452 7.88_359.7491m/z 359.7490994 7.88 15.1970 82.0610 85.6436 124.3963 95.8658 87.8983 7.88_375.2615m/z 375.2615383 7.88 59745.3962 105807.8650 110466.1953 122847.0396 98432.6913 108767.5861 7.88_375.3190m/z 375.3189776 7.88 525.6696 971.4736 1128.4357 1207.9533 894.7483 1011.4111 7.88_375.4193m/z 375.4192651 7.88 596.3691 2223.9983 2138.1783 2462.8311 1738.4249 1887.6925 7.88_375.7628m/z 375.7627912 7.88 23291.6246 41447.8092 42939.4050 48154.8445 38151.6885 42346.1522 7.88_386.2513m/z 386.2513458 7.88 331.5358 460.2918 572.3612 584.4703 478.4391 502.7038 7.88_590.4135n 591.4210776 7.88 27538.4858 51837.3053 53723.4144 59325.8205 48717.2999 53421.1702 7.88_748.5077n 749.5149967 7.88 24603.6720 50204.3520 50548.4597 55165.7996 44523.2614 48076.4050 7.88_83.0501m/z 83.05008054 7.88 1743.4901 3107.8193 3161.6756 3502.0886 2875.6044 3146.9203 C5H8O2 Glutaral Glutaral 64276 MEDIUM 7.88_98.0738n 81.07049927 7.88 194.1790 255.3976 269.7756 263.5468 259.3475 252.2636 C6H10O 2-Hexenal MEDIUM 7.89_142.0748m/z 142.0748374 7.89 2665.1914 2844.1909 2574.2157 2732.4837 2712.7696 2729.4112 7.89_175.1115m/z 175.1115033 7.89 2499.5556 2410.3656 2404.7629 2483.5710 2358.1962 2429.2906 7.89_203.1070m/z 203.1069967 7.89 3941.9647 4269.5585 3876.8130 3921.0322 3997.1413 4114.0909 C10H21NO2S Tillam sulfoxide MEDIUM 7.89_218.2113m/z 218.2112994 7.89 169.2997 117.4023 123.2212 153.4836 133.7404 145.0648 7.89_253.1009m/z 253.1008732 7.89 10673.8022 11183.7552 10750.1652 11163.4139 11078.3973 11202.0863 C20H12 Benzo[j]fluoranthene MEDIUM 7.89_261.1099m/z 261.109911 7.89 36218.6396 37809.3266 35946.9589 36835.0596 36772.1183 37414.3945 7.89_271.2014m/z 271.2014423 7.89 553.3217 554.4978 599.6257 486.2381 596.1451 575.9404 7.89_292.0443m/z 292.044318 7.89 1604.7900 1396.7443 1392.7419 1394.0055 1399.8966 1268.1627 7.89_323.0808m/z 323.0808497 7.89 3339.1069 3449.2299 3409.5849 3195.9859 3286.6778 3291.8440 C24H12 Coronene Coronene 29863 MEDIUM 7.89_386.7533m/z 386.7533455 7.89 37.8902 129.7174 139.3502 156.3692 98.4448 140.6166 7.89_414.2018m/z 414.2017619 7.89 1821.1478 1656.7265 1688.5971 1601.5268 1689.0452 1710.2336 7.89_432.3103m/z 432.3103068 7.89 268.7468 297.5484 289.7295 261.1298 258.9884 309.3573 7.89_480.1847m/z 480.1847374 7.89 8595.7812 9008.3273 8641.9867 8807.3707 8727.7687 8877.5460 7.91_643.3460m/z 643.3459796 7.91 527.7285 647.2346 564.0614 490.0118 565.1511 592.4946 7.92_223.1308m/z 223.1308244 7.92 9740.1588 7750.8171 8706.2492 8897.7722 8576.8750 8849.9846 7.92_301.0421m/z 301.0420731 7.92 915.3408 849.2230 1069.2958 824.5517 1002.2277 929.6277 C12H10F3N3O4 Nilutamide 7573 MEDIUM 7.92_304.2116m/z 304.2116395 7.92 860.1239 997.1235 883.6011 902.0087 905.7739 937.8980 7.92_321.6212m/z 321.6212319 7.92 381.7236 369.8142 368.4539 375.1583 369.0925 428.8413 7.92_341.1570m/z 341.1570286 7.92 6394.4137 5380.4574 5747.5368 6205.6572 5690.6881 5972.1168 7.92_368.7551m/z 368.7550951 7.92 62.6968 138.4537 142.7583 173.6343 117.0180 147.1597 7.92_577.4055m/z 577.4055486 7.92 1915.3938 2390.0252 2506.5684 2758.6646 2204.8732 2483.0057 7.92_735.4993m/z 735.4992914 7.92 695.8537 1288.7946 1229.1271 1347.0940 1162.0620 1259.4102 7.93_171.0808m/z 171.0808148 7.93 4857.1519 5176.0207 5023.4821 5109.8230 5223.7529 5364.3774 C9H17NOS Molinate HIGH 7.93_234.1054m/z 234.1053568 7.93 6663.1504 6766.2416 6538.4889 6800.3662 6684.6484 6812.7643 7.93_306.6167n 307.6239607 7.93 430.5292 429.7912 383.6141 445.8659 415.1228 470.0536 7.93_318.6146m/z 318.6146015 7.93 417.7556 540.3230 473.8509 463.9975 493.6234 535.0863 7.93_326.5974m/z 326.597416 7.93 138.4048 180.3013 162.2350 152.7946 161.0353 158.1458 7.93_412.5929m/z 412.5928516 7.93 35.6696 94.4380 68.9748 42.7299 36.2739 81.2029 7.93_431.0666m/z 431.0665534 7.93 1912.5688 1791.9066 1862.1310 1835.3921 2065.9458 1927.1474 C18H14F4N2O4S Bicalutamide 100717 MEDIUM 7.93_446.0341m/z 446.0340869 7.93 1024.3902 956.0681 937.5169 923.8949 1034.9067 961.5258 7.93_575.2872m/z 575.2871952 7.93 1791.9674 2025.8174 1781.6976 1863.5341 1821.9417 1813.1395 7.93_596.2654n 597.2726991 7.93 14145.2109 16452.5411 14822.8618 15248.1194 15304.2870 15703.0545 7.93_604.2839m/z 604.2838826 7.93 738.0309 878.1002 762.0153 751.7900 795.8580 768.1183 7.93_635.2176m/z 635.2176457 7.93 2241.4588 2483.0927 2405.8306 2340.3883 2331.1027 2456.7624 7.93_641.1937m/z 641.1936879 7.93 8327.9755 9470.7209 8838.7043 8815.6406 8762.4775 8986.2385 7.93_807.2025m/z 807.2024725 7.93 488.0501 664.6157 555.5917 533.3999 570.8946 544.4061 7.94_255.1126m/z 255.112621 7.94 7611.0160 7470.5097 7480.8937 7562.6899 7510.2821 7632.9110 7.94_267.0756m/z 267.0756415 7.94 1327.9722 1378.2563 1384.3572 1439.1709 1777.3680 1750.4297 7.94_310.6321m/z 310.6320607 7.94 157.3887 191.4251 163.5430 153.3420 162.5873 183.8497 7.94_323.6631m/z 323.6631492 7.94 295.9593 464.5529 467.7091 501.5750 453.0068 428.0049 7.94_368.2307n 369.2379882 7.94 7798.7272 8619.6709 7890.7533 8202.9284 8037.6182 8249.6767 7.94_459.1323m/z 459.1323406 7.94 3018.0670 3237.3118 3067.6546 3128.4918 3090.2812 3197.6174 7.94_645.3154m/z 645.3153547 7.94 1140.9882 1499.6187 1661.9490 1818.9148 1563.4523 1602.3471 7.95_126.9696m/z 126.9696116 7.95 182.5522 167.3178 160.7367 162.8272 189.9585 164.8665 7.95_194.0967m/z 194.0966834 7.95 8467.6245 8560.1420 8474.1788 8526.7998 8621.7286 8589.2265 7.95_237.1046m/z 237.1045645 7.95 6479.4772 7027.5492 6464.6883 6737.9633 6645.1840 6783.2955 C15H12N2O Carbamazepine Carbamazepine 3387 HIGH 7.95_241.1035m/z 241.1034806 7.95 5133.6316 5251.0893 5134.6431 5260.6188 5180.2389 5299.1324 7.95_257.0716m/z 257.0715598 7.95 6034.8353 6093.2031 5980.6675 6070.9836 5957.9448 6179.1093 7.95_328.2111m/z 328.2111308 7.95 9713.0079 10478.1038 9858.8657 10192.3110 10192.6721 10313.8940 7.95_349.6016m/z 349.6016167 7.95 37.1741 53.4794 50.0873 31.3049 24.3416 57.3975 7.95_360.2114m/z 360.2114113 7.95 1850.7280 1973.4549 1946.4895 1939.4346 2000.6118 2014.7223 7.95_360.9856m/z 360.9856075 7.95 888.5188 929.8254 887.5245 861.3388 880.7756 961.5315 7.95_362.9827m/z 362.9826872 7.95 582.1874 622.9892 608.3037 599.6912 610.4957 611.9407 7.95_369.1168n 370.1240831 7.95 19507.4101 22070.9019 20512.1499 20951.0669 21232.1423 21258.1713 7.95_422.9562m/z 422.9562075 7.95 313.8851 269.4281 336.7115 263.0377 332.4849 298.9061 7.95_424.9514m/z 424.9514365 7.95 294.2978 227.1052 276.3114 244.2398 277.4291 291.2101 7.95_430.1380n 431.1453255 7.95 14015.2671 15556.0965 14646.4886 14666.8877 14892.5344 15084.0495 7.95_469.0942m/z 469.0942394 7.95 1519.1409 1601.7952 1605.2607 1640.2274 1623.9725 1628.4124 7.95_530.1599m/z 530.1599158 7.95 13287.6724 15461.0885 13977.6453 14184.1146 14240.5531 14641.5576 7.96_153.1281m/z 153.128128 7.96 133.5908 189.2761 148.2338 140.9847 151.8527 161.3453 7.96_199.5835m/z 199.5835375 7.96 47.3196 52.2010 55.7352 48.4482 63.9190 55.5888 7.96_253.1424m/z 253.1423668 7.96 2021.2204 1855.4522 1813.1417 1933.3115 1915.2824 1990.1897 C15H19N5 Rizatriptan 48273 MEDIUM 7.96_300.6346m/z 300.6345726 7.96 681.7519 837.3886 716.8507 762.0816 806.2022 784.5795 7.96_303.6431m/z 303.6430963 7.96 618.9527 672.4838 613.3556 624.9833 636.9823 685.5546 7.96_311.1359m/z 311.1358902 7.96 22216.8446 22404.6033 22175.0913 22844.0737 22217.8246 22713.3555 7.96_311.6253m/z 311.6253248 7.96 1059.3759 1233.3428 1150.3448 1205.6548 1178.4200 1182.5331 7.96_330.2277m/z 330.2277358 7.96 56259.0737 68227.3517 60713.7093 62653.5245 63362.6085 63437.3263 7.96_330.6564n 314.6337839 7.96 496.7922 488.9910 433.0106 475.7540 486.2690 494.5877 7.96_449.2258m/z 449.2257954 7.96 3821.8344 4151.3946 3893.0322 3926.4833 3854.7398 4017.9611 C28H35NO5 Cytochalasin J MEDIUM 7.96_534.2369m/z 534.2368699 7.96 12579.7843 13071.9182 12519.9292 12933.0678 12845.5897 12927.8812 7.96_560.3045n 583.2946109 7.96 50464.2451 60028.9296 54529.9752 55822.1882 57155.5920 57007.0144 7.96_605.2754m/z 605.2753616 7.96 6531.2089 7150.7267 6894.2005 6891.8563 7163.5486 7272.0323 7.96_621.2125m/z 621.2125041 7.96 4690.3393 5394.8678 4881.5100 4853.4340 4885.8102 4978.8285 7.97_123.1176m/z 123.117593 7.97 87.5637 95.9927 82.8167 95.5043 94.4880 91.6132 C9H16O 2-Nonenal MEDIUM 7.98_293.6453m/z 293.64527 7.98 1763.1002 2127.3252 1906.2982 1987.2174 1964.7245 1987.5694 7.98_304.6361m/z 304.6361292 7.98 699.0822 716.6627 688.8509 725.5893 723.7101 715.7415 7.98_312.6760n 296.6534645 7.98 899.1675 1072.9985 947.3519 993.5866 999.6518 1055.7967 7.98_316.2107m/z 316.2106606 7.98 172.7465 206.4683 165.5089 164.2536 171.9162 165.4364 7.98_327.6375m/z 327.637472 7.98 103.2047 115.3426 86.0915 82.1919 97.3134 105.4383 7.98_546.3262n 569.3154511 7.98 138988.0722 165918.7665 152278.5434 156632.9737 157586.8265 156549.8038 7.98_631.2804m/z 631.2804033 7.98 2171.6824 2444.4501 2308.1398 2309.6732 2271.7676 2306.8533 7.99_282.9953m/z 282.9952798 7.99 167.4857 138.1208 197.7077 149.5673 182.4936 173.4280 7.99_388.2663m/z 388.2662987 7.99 902.9777 950.3029 825.1985 927.6131 858.1983 865.3268 7.99_491.8057m/z 491.8057326 7.99 662.2209 857.1986 736.7454 811.1501 834.0350 846.7636 8.00_109.1020m/z 109.1019912 8.00 569.7375 559.4252 554.6874 561.5578 576.4057 584.6658 C8H14O 2-Octenal MEDIUM 8.00_211.0659m/z 211.0659086 8.00 2570.8857 2514.9795 2551.6288 2618.4547 2589.1346 2676.7339 8.00_305.1358m/z 305.1358234 8.00 3044.4962 2901.3362 2931.2266 3055.1429 2994.4186 3089.5015 C15H22O5 Octyl gallate MEDIUM 8.00_329.1547m/z 329.1546552 8.00 12302.7351 12225.9885 12259.9783 12674.0890 12208.2554 12577.6689 8.00_504.1466m/z 504.1465587 8.00 6609.0988 7408.5845 6880.4645 6860.2959 6898.8358 7104.7210 8.00_535.6761m/z 535.6761125 8.00 50.2975 126.6744 93.1256 74.6028 87.5388 115.9499 8.01_173.9647m/z 173.9647277 8.01 145.9394 96.0599 110.9804 136.4952 84.5644 102.5476 8.01_460.2152m/z 460.2152256 8.01 925.0539 974.8587 943.5419 935.8472 971.0904 979.6811 8.02_200.1266m/z 200.1265995 8.02 633.6303 730.8017 734.1439 658.8930 658.0687 610.7826 8.02_226.1146n 227.0664164 8.02 3518.9984 3628.8990 3552.0631 3563.0326 3551.3406 3571.5667 8.02_286.1078m/z 286.107847 8.02 116.6340 103.0826 108.7512 117.5752 79.1877 38.2279 8.02_339.0745m/z 339.0744552 8.02 184.8678 212.4993 162.9180 210.8513 206.4887 111.7219 8.02_76.0404m/z 76.04040266 8.02 28.5120 35.8314 31.0251 28.7702 27.3624 29.4509 8.04_487.1306m/z 487.1306369 8.04 1228.7706 1469.6585 1346.0410 1400.8741 1360.8109 1366.3001 8.05_136.9322m/z 136.9321837 8.05 984.2613 736.1506 875.6450 813.5382 830.1697 829.7741 8.05_368.7551m/z 368.7551278 8.05 287.7620 583.4209 576.9496 628.1213 508.8863 571.1301 8.05_577.4049m/z 577.404901 8.05 465.9201 822.1236 901.0294 829.1031 716.4230 797.2961 8.05_583.2012m/z 583.2011995 8.05 889.5162 1101.5497 991.5959 1025.4953 1081.8043 1115.7189 8.05_735.4995m/z 735.4994591 8.05 185.6915 479.0590 487.1986 507.0915 386.5126 442.6004 8.06_142.0094m/z 142.0093939 8.06 425.3710 375.1213 438.6835 401.2613 437.6826 430.0539 8.06_304.1878m/z 304.1878015 8.06 1376.4310 1514.1824 1379.2143 1428.6596 1286.5630 1452.7111 8.07_149.9575m/z 149.9574578 8.07 481.4052 283.6364 347.8510 343.4823 300.7586 341.2531 8.07_264.1744m/z 264.1744387 8.07 1798.7078 2192.7915 2561.9078 2636.1952 2489.1203 2573.5364 C19H21N Protriptyline 8597 HIGH 8.07_273.1932n 256.1899116 8.07 337.1019 397.7207 402.7350 377.3044 413.6385 393.5849 8.07_563.3876m/z 563.3875872 8.07 268.8630 519.1066 535.0019 612.3822 482.7486 453.9625 8.08_235.1693m/z 235.1693173 8.08 142.8199 161.7531 157.4787 157.4461 148.6141 147.7030 8.08_721.4840m/z 721.4839592 8.08 102.4439 243.2238 258.8896 251.9654 206.6552 197.8825 8.09_125.0967m/z 125.0967152 8.09 1575.7966 1837.9608 1699.0076 1712.5486 1697.3648 1806.2853 C8H14O2 4-Hydroxyoctenal HIGH 8.09_203.1102m/z 203.1101779 8.09 5499.7949 5898.0931 5589.8951 5575.2731 5665.3036 5970.6589 8.09_378.1133m/z 378.1132635 8.09 4631.6474 5379.3686 4933.6381 4996.9553 4978.9488 5043.6164 8.09_400.2686m/z 400.2685601 8.09 770.9404 945.0078 889.0994 828.4347 845.3638 873.5896 8.09_97.1020m/z 97.10198591 8.09 533.2510 573.4477 519.6592 519.9067 541.5071 555.3177 C7H14O Heptanal HIGH 8.10_200.1214m/z 200.1214312 8.10 436.9757 526.0402 482.7513 507.4647 474.6513 450.5335 8.10_356.2423m/z 356.2423303 8.10 9196.1590 10328.6110 9631.7141 9788.9447 9798.5859 9806.6012 C19H30O5 Dodecyl gallate MEDIUM 8.10_376.2687m/z 376.2687241 8.10 2425.8385 3024.9816 2695.1421 2744.0712 2685.2670 2748.0944 8.10_767.9628n 790.9832038 8.10 153.1584 379.9921 242.0716 246.8603 316.0399 337.7308 8.10_778.6696m/z 778.6696192 8.10 151.1008 232.6523 187.9485 194.6844 203.2402 186.5608 8.10_785.6608m/z 785.6608169 8.10 106.5032 215.6142 182.7624 177.9822 200.9503 242.9595 8.10_786.3260m/z 786.3260473 8.10 116.2128 253.2565 146.9936 167.9452 133.9790 206.1937 8.10_81.0704m/z 81.07038098 8.10 134.7738 133.5519 124.2987 129.7886 126.2502 126.4931 C6H10O 2-Hexenal MEDIUM 8.10_83.0864m/z 83.08643731 8.10 115.7282 113.7788 126.7472 123.6351 122.1325 125.3844 C6H12O Cyclohexanol Cyclohexanol 18099 MEDIUM 8.11_133.0646m/z 133.0646393 8.11 486.5197 518.2223 460.1887 490.9407 428.9848 490.9011 C9H10O2 2-Phenylpropionate 2-Phenylpropionate HMDB11743 MEDIUM 8.11_189.1281m/z 189.1280789 8.11 113.8196 121.8465 135.6006 129.1264 114.6647 125.6412 8.11_225.0438m/z 225.0437968 8.11 2147.1375 2134.6085 2158.2273 2138.0695 2153.5261 2203.8306 8.11_249.0099m/z 249.0098645 8.11 130.5360 145.4833 132.9537 91.4018 125.2611 124.8528 8.11_298.2004m/z 298.2003655 8.11 6569.5673 7136.9401 6609.8995 6809.4379 6775.5394 6924.1044 8.11_550.6230n 573.6444642 8.11 178.8308 546.3299 319.6905 473.0261 375.3159 455.0403 8.11_560.9964m/z 560.9963758 8.11 1218.0608 3364.0961 2279.8016 2613.3923 2475.5489 2915.5542 8.11_561.3296m/z 561.3296494 8.11 1096.0321 2746.9495 1929.6269 2113.1451 2044.9543 2414.3075 8.11_561.6645m/z 561.6644518 8.11 437.3673 1283.9818 824.6941 952.7387 902.7822 1037.5844 8.11_653.3323m/z 653.3322579 8.11 1273.1187 1499.1950 1348.3087 1319.2433 1361.8205 1385.5635 8.11_734.9143m/z 734.9142943 8.11 194.7899 706.8770 406.9877 482.6659 481.2846 578.0715 8.11_840.9906m/z 840.990607 8.11 549.7829 1909.3383 1230.6108 1343.3689 1289.0088 1505.9862 8.11_841.4912m/z 841.4911761 8.11 323.9250 1332.0851 828.5495 867.3813 840.5910 1037.9913 8.12_153.1281m/z 153.1281352 8.12 254.4462 304.9056 248.3480 297.6853 190.8651 228.4711 8.12_156.0758m/z 156.075806 8.12 1331.2905 1280.6382 1327.1730 1337.8155 1286.7025 1341.5327 8.12_414.2474m/z 414.2474444 8.12 2826.0092 3063.6911 2853.1696 2967.0696 2890.7295 2892.5386 8.12_430.4846m/z 430.4845758 8.12 16.1029 145.6977 90.0201 114.6941 85.0455 139.2121 8.12_550.9536n 573.9786812 8.12 70.2598 448.8044 227.1929 326.7317 287.4374 411.1792 8.13_263.0905m/z 263.0904639 8.13 2063.1060 2279.0772 2168.9758 2162.2263 2230.5440 2156.8743 C12H16O5 3-Carboxy-4-methyl-5-propyl-2-furan-propanoic acid 3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid 41254 MEDIUM 8.13_370.2212m/z 370.22122 8.13 4151.3025 4419.2634 4132.8405 4202.6624 4184.8391 4371.9639 8.15_107.0293m/z 107.0293055 8.15 976.8384 815.4992 918.4649 956.6223 862.0075 913.3397 8.15_209.1164m/z 209.1163595 8.15 2924.0075 2773.6799 2805.4301 2860.5062 2772.4762 2858.0000 8.15_385.1485m/z 385.1484808 8.15 8596.3632 8906.1176 8745.3652 8949.6311 8838.7658 8920.7526 8.15_478.2221m/z 478.2220911 8.15 2269.4488 2358.4415 2329.5531 2257.4542 2324.0596 2363.4710 8.15_481.1339m/z 481.1339221 8.15 3088.5466 3486.2239 3046.7063 3312.7353 3035.9406 3267.7325 8.16_187.0740m/z 187.0740175 8.16 2320.2365 2509.9001 2451.4723 2360.0760 2494.8968 2468.3103 8.16_428.2539m/z 428.253925 8.16 7683.2832 8745.6513 8466.5668 8742.1331 8559.7532 8563.0890 8.16_449.2307m/z 449.2307377 8.16 4402.5149 4681.8700 4432.9249 4437.3103 4538.7989 4726.1126 8.16_687.3757m/z 687.3756985 8.16 642.7690 742.0484 648.6177 618.0243 706.0058 686.7844 8.18_229.1412m/z 229.141183 8.18 20852.4067 17434.4922 18636.6543 19533.3664 17937.8580 18694.4281 8.19_318.2250m/z 318.2249807 8.19 5249.5704 4383.9427 4503.3709 4517.1147 4345.3619 4740.2372 8.19_418.2202m/z 418.2202201 8.19 4647.3846 5050.5469 4881.6209 5126.9875 4901.4656 4922.5918 8.19_548.6638m/z 548.663764 8.19 123.8486 175.2959 145.1272 173.8738 154.6613 143.2251 8.20_161.0559m/z 161.0559446 8.20 1584.5004 1582.4358 1558.2242 1599.0842 1587.1384 1646.0622 8.20_175.0724m/z 175.0723998 8.20 757.9616 814.4540 797.2087 820.7740 835.4114 826.5130 8.20_215.1078m/z 215.1077622 8.20 2179.7863 2181.0625 2076.1139 2222.4614 2078.2141 2178.4785 C14H14O2 "(S,S)-(-)-Hydrobenzoin" HIGH 8.20_233.1163m/z 233.1163212 8.20 3494.1075 3611.9759 3326.2046 3377.3690 3345.6711 3480.4861 8.20_332.2431m/z 332.2431378 8.20 6400.3343 7804.0460 6905.2382 7183.2779 7084.1700 7193.7381 8.20_332.6449m/z 332.6449178 8.20 156.5469 156.4753 152.6118 131.1367 172.4833 156.4620 8.20_340.6277m/z 340.6276881 8.20 288.0261 365.3215 282.3077 353.6416 265.2995 360.6736 8.20_449.1417m/z 449.1417313 8.20 10439.6151 13201.5512 11368.6945 12031.5182 12140.0351 11885.5146 8.20_514.1483m/z 514.1482797 8.20 3619.9369 3741.6593 3573.0938 3767.7933 3621.7975 3732.1464 8.20_604.2850m/z 604.2849917 8.20 732.0270 908.2848 770.3896 809.0090 788.8548 803.9096 8.20_618.3072n 641.2980955 8.20 7894.1956 9721.7975 8382.9854 8645.7205 8742.9431 8869.1278 8.20_657.2454m/z 657.2453757 8.20 2100.1973 2490.7517 2157.3857 2205.9383 2149.8453 2279.5283 8.20_843.2226m/z 843.2225965 8.20 290.5512 872.2645 622.7609 643.4572 592.2016 532.6325 8.20_891.2431m/z 891.2430553 8.20 373.5896 792.2670 648.9143 606.3975 589.0272 663.4680 8.21_109.1022m/z 109.1021925 8.21 93.0288 95.3831 109.9878 102.0359 105.0443 109.9876 C8H14O 2-Octenal MEDIUM 8.21_221.1106m/z 221.1105929 8.21 1618.5578 1457.7970 1529.7332 1538.8500 1497.1397 1655.0473 8.21_325.6002n 343.6340565 8.21 137.2224 164.9026 145.5194 136.4477 127.9857 144.4723 8.21_328.6300n 351.6185172 8.21 274.7394 323.9687 290.7049 317.4349 327.2675 340.8599 8.21_560.2066m/z 560.2066084 8.21 26967.9012 33566.9070 29957.5658 30623.8875 30057.4884 30310.2131 8.21_583.1989m/z 583.1988702 8.21 3592.1070 3747.1148 3609.9061 3625.0801 3768.0265 3680.2566 8.21_925.2391m/z 925.2390938 8.21 123.1931 380.1756 289.1926 235.5280 185.2198 188.3473 8.21_939.2342m/z 939.234185 8.21 120.6940 325.3517 217.0344 183.0427 263.5201 175.8984 8.22_153.1278m/z 153.1278125 8.22 115.9534 105.2915 137.8379 86.9555 152.5128 102.1849 8.22_382.6061m/z 382.6060844 8.22 70.3004 121.5693 68.7866 91.2395 87.0568 87.5798 8.22_388.1547m/z 388.1547358 8.22 14616.8735 15903.3175 15151.0917 15576.0892 15308.8457 15459.0812 8.22_390.1496m/z 390.1495778 8.22 4234.8868 4444.1265 4275.7591 4328.1106 4333.1033 4375.3735 8.23_191.1435m/z 191.1435307 8.23 735.3648 741.4017 712.5447 717.3097 688.6317 727.4935 8.23_321.6404n 322.647659 8.23 746.8142 899.6152 842.6195 915.7288 832.5455 885.1176 8.23_325.6558m/z 325.6557533 8.23 1299.2579 1441.3309 1323.8980 1358.2609 1402.1498 1341.0860 8.23_333.1381m/z 333.1380659 8.23 6733.8876 7072.4560 6861.8453 7034.3426 7010.1595 7083.4130 8.23_333.6379m/z 333.6378852 8.23 886.0117 987.7093 887.3682 1045.9849 970.4460 972.9989 8.23_352.6690n 336.6464183 8.23 396.5427 450.7516 467.5117 421.0676 472.4269 444.5725 8.23_497.1431m/z 497.1431218 8.23 7002.5731 7629.0675 7201.6777 7400.7299 7310.0994 7352.4819 8.23_604.3251n 627.3198502 8.23 24670.6463 30319.1495 26753.1236 27776.7713 27929.4242 28093.4651 8.23_649.3001m/z 649.3001074 8.23 2895.4922 3391.3149 3018.6477 3253.2440 3143.3070 3277.8130 8.23_711.2423m/z 711.2423084 8.23 1661.5251 2118.7054 1806.1256 2003.1239 1746.4019 1944.1204 8.24_185.1154m/z 185.1154211 8.24 12463.7019 10025.3527 10865.2460 11007.5451 10903.1662 11061.6506 C10H18O4 Sebacic acid Sebacic acid HMDB00792 MEDIUM 8.24_199.0924m/z 199.0924318 8.24 8734.4483 8686.8373 8343.2420 8644.1742 8433.0031 8604.7202 8.24_215.0599m/z 215.059906 8.24 1382.2422 1260.7015 1302.0919 1346.3025 1320.0367 1339.8447 8.24_261.0656m/z 261.0656017 8.24 2293.1788 2143.7338 2178.7454 2236.0483 2181.5325 2253.9262 8.24_273.1933n 256.1899975 8.24 2307.8010 2661.6261 2474.1257 2388.1422 2525.8876 2573.4002 8.24_285.1254m/z 285.1254094 8.24 3335.3812 3533.0354 3450.3510 3481.4373 3651.5138 3492.8555 8.24_288.2171m/z 288.2170852 8.24 19274.5912 22237.5870 20061.5718 20995.8608 20730.2208 21328.2196 C20H32O2 Drostanolone 34838 MEDIUM 8.24_432.3471m/z 432.3470946 8.24 268.4510 335.4281 267.1235 342.4570 328.7765 332.4553 8.24_473.0758m/z 473.0758111 8.24 878.1785 960.7978 910.2869 875.8567 987.1948 926.4022 8.25_175.1483m/z 175.1482922 8.25 679.7731 761.8150 695.6408 681.7551 664.2127 703.1029 C13H20O alpha-Ionone alpha-ionone 32319 MEDIUM 8.25_326.6400n 349.6505277 8.25 139.3105 161.3882 165.9439 150.6926 158.5220 152.8076 8.25_372.2259m/z 372.2258706 8.25 1814.2928 1929.8168 1832.5838 1895.7100 1864.1999 1889.0715 8.26_315.1522m/z 315.1521504 8.26 8399.0306 9417.8124 8566.3107 9155.1005 8822.8381 9023.7172 C18H19NOS Duloxetine 36795 MEDIUM 8.26_315.6578m/z 315.657773 8.26 1109.0434 1427.7112 1226.3266 1235.4412 1321.4528 1320.6558 8.26_318.1636m/z 318.1635697 8.26 5810.4325 6015.9427 5872.1855 5723.1072 6003.8530 5827.0339 8.26_334.6885n 318.6659367 8.26 1133.2851 1341.6777 1229.7772 1262.7311 1325.4961 1214.8629 8.26_342.1708n 326.1482079 8.26 6448.5595 6684.0197 6508.3644 6463.9212 6684.2038 6647.9926 8.26_435.2506m/z 435.2506313 8.26 1523.4917 1761.8467 1659.3407 1651.4961 1614.3642 1707.4699 8.26_590.3512n 613.3408644 8.26 72846.0019 91105.3150 80547.1387 83947.0636 85082.7391 84127.1563 8.26_675.3003m/z 675.3003305 8.26 1150.2231 1321.4639 1183.1515 1188.3309 1260.9636 1249.2721 8.27_227.1752m/z 227.1752223 8.27 522.7316 601.4707 575.7938 566.9407 624.8011 584.0460 C12H19NO2 Octyl cyanoacrylate MEDIUM 8.27_344.2532m/z 344.2531943 8.27 383.7101 399.7136 378.1734 391.4050 400.7496 382.1753 8.28_280.1307n 281.137957 8.28 24787.0232 26414.5544 24989.2137 25364.2697 25126.2446 25551.2853 8.28_473.1997m/z 473.199656 8.28 3539.3099 3613.0037 3452.0739 3569.3093 3467.3522 3585.2445 8.28_504.1484m/z 504.1484465 8.28 4625.4137 4795.5074 4552.6639 4757.6359 4619.2100 4772.1639 8.29_133.0290m/z 133.0290026 8.29 145.0549 132.4690 159.5509 123.6404 159.0959 142.8291 8.29_163.0398m/z 163.0398202 8.29 15829.1147 14337.2471 14859.7325 14887.1505 14883.7505 15170.9655 C9H8O4 Monomethyl phthalate HMDB02130 4376-18-5 HIGH 8.29_217.0478m/z 217.0477566 8.29 2405.7743 2385.9186 2498.7330 2331.8873 2362.1891 2478.1843 C10H10O4 Monoethyl phthalate HMDB02120 2306-33-4 MEDIUM 8.29_233.0122m/z 233.0121621 8.29 886.3425 860.5745 914.4005 876.4000 862.1856 886.6574 8.29_251.0141m/z 251.0140546 8.29 974.8868 516.2725 715.6037 400.4184 671.6984 637.3276 8.30_241.1394m/z 241.1393824 8.30 3208.9830 3107.9021 3173.1313 3236.9691 3176.9590 3193.5575 8.30_256.1290n 239.1256689 8.30 8582.2472 8034.4132 8287.7925 8307.8789 8423.5284 8485.0500 8.30_516.1796m/z 516.1796265 8.30 25391.6093 29109.6636 27195.1771 27494.4742 27363.7276 27519.7106 8.31_149.9579m/z 149.9578915 8.31 321.2830 210.4901 265.6165 235.8606 235.5463 243.1026 8.31_488.2279m/z 488.2279489 8.31 4671.0469 5022.7813 4791.0211 4666.2857 4851.8031 4827.6183 8.32_246.2066m/z 246.20658 8.32 108.6920 135.7869 132.6579 129.5559 126.0976 127.3611 8.32_385.1485m/z 385.1485424 8.32 8965.4297 9359.4899 9252.5404 9186.0192 9253.3527 9333.9375 8.32_401.1206m/z 401.1206446 8.32 4734.3595 4541.2653 4616.0362 4678.1026 4568.4065 4737.9499 8.33_269.1895m/z 269.1894651 8.33 208.0689 184.5753 186.5421 194.5263 206.5054 192.3725 8.33_273.1105m/z 273.110523 8.33 4553.0636 4132.0391 4473.6497 4486.4746 4549.4318 4530.8633 8.33_310.2017m/z 310.2017099 8.33 164523.8073 195296.7732 173678.4000 186998.3301 177380.6147 184358.8909 C17H24O4 Trichodermin MEDIUM 8.33_549.2275m/z 549.2274666 8.33 4490.5960 4487.4033 4483.5495 4501.3553 4487.5703 4493.6745 8.34_165.0695m/z 165.0695164 8.34 1427.8602 1514.0075 1411.3380 1498.1234 1406.3390 1487.3944 C13H10O 3-Hydroxyfluorene MEDIUM 8.34_179.0704m/z 179.0704339 8.34 1586.7407 1521.2555 1559.6024 1495.3070 1579.1528 1565.0633 C10H10O3 Methyl 4-hydroxycinnamate MEDIUM 8.34_194.0971m/z 194.0970958 8.34 20322.5026 21822.7149 20907.7987 21157.9840 20551.8780 20894.9138 8.34_254.1068n 277.0953664 8.34 85043.3438 85801.7525 86223.5494 87767.1946 86796.2784 88133.5687 8.34_339.0659m/z 339.0658737 8.34 1603.9977 1583.1653 1550.1748 1560.3659 1573.4358 1624.0890 8.34_354.0327m/z 354.0327375 8.34 622.8282 671.7075 688.2590 611.9856 723.2802 684.5031 8.34_531.2010m/z 531.2009694 8.34 6099.4782 6196.2962 6203.4859 6343.7005 6283.9971 6265.3316 8.34_691.2139m/z 691.2139024 8.34 2294.2753 2980.4260 2545.0926 2688.8183 2444.8080 2631.4342 8.35_169.1507n 192.0819146 8.35 5211.4433 5619.6679 5387.4270 5297.7949 5203.0718 5357.1433 8.35_330.2815m/z 330.2815067 8.35 382.3222 699.2703 655.4992 351.4083 493.6204 617.2302 8.35_362.0886m/z 362.0885983 8.35 15063.6166 13822.7852 14861.2035 14571.1437 14868.5804 14931.3455 C12H21NO8S Topiramate Topiramate 63631 MEDIUM 8.35_374.2538m/z 374.2537934 8.35 10900.6542 12799.2623 11792.7221 11690.8377 11863.7109 12090.6027 C24H38O4 Di(2-ethylhexyl)phthalate Bis(2-ethylhexyl)phthalate 17747 MEDIUM 8.35_432.3104m/z 432.3104174 8.35 231.7075 257.0508 254.8485 231.5327 281.0380 249.0665 8.36_288.2171m/z 288.2171054 8.36 9915.8252 10951.8465 10576.2069 10285.8636 10680.8195 10639.7568 C20H32O2 Drostanolone 34838 MEDIUM 8.36_308.1863m/z 308.1863183 8.36 25108.5394 27649.2837 26571.8512 26316.2056 26500.0303 27012.4355 8.36_697.3448m/z 697.3448293 8.36 1344.1670 1466.0089 1337.7294 1353.3577 1350.9177 1395.4528 8.37_332.0857m/z 332.0856697 8.37 207.9830 215.9571 239.8026 153.8130 169.0216 224.9389 8.37_473.2268m/z 473.226819 8.37 4931.7433 5465.6851 4912.7977 5187.2189 5038.8851 5294.9703 8.38_123.1174m/z 123.1173893 8.38 307.4486 334.1271 315.5488 296.1358 327.8507 315.0881 C9H16O 2-Nonenal HIGH 8.38_151.1123m/z 151.1123249 8.38 337.1509 355.2783 367.2407 353.3270 357.2338 343.0109 C10H14O 2-Tert-butylphenol MEDIUM 8.38_228.0918m/z 228.0917544 8.38 2123.1243 2322.4868 2004.3905 2221.7052 2088.1591 2192.2072 8.38_275.1256m/z 275.1256342 8.38 4905.9789 4706.2313 4578.5153 4852.9610 4692.4083 4850.1165 8.38_285.0901m/z 285.0901121 8.38 9876.5656 9345.7831 9585.4991 9720.7060 9945.1527 9550.6495 8.38_330.2276m/z 330.2275747 8.38 112791.9268 130479.3130 121104.6539 122629.4447 123634.7571 125111.3186 8.38_330.3756m/z 330.3756174 8.38 636.2083 1166.9000 772.6032 712.2116 779.4991 657.5418 8.38_344.2405m/z 344.2404964 8.38 433.0423 655.4730 561.6362 446.3741 510.8627 488.2392 8.40_126.1054n 109.1020703 8.40 447.5715 446.0198 452.1993 463.9064 486.9319 427.5413 C8H14O 2-Octenal MEDIUM 8.40_257.1895m/z 257.1894662 8.40 247.2869 281.5005 242.9725 261.2749 241.3536 268.3403 8.40_301.6205m/z 301.620454 8.40 87.5067 78.1043 85.0685 71.4680 89.5260 109.3471 8.40_312.2167m/z 312.2167102 8.40 104530.1572 117641.9995 112202.4544 111105.7767 115149.6018 115568.8550 C22H32O2 Retinol acetate 32095 MEDIUM 8.40_312.2698m/z 312.2697859 8.40 545.2551 781.5365 769.7959 660.7540 694.8520 708.3051 8.40_312.3607m/z 312.3606962 8.40 1411.2767 1966.4139 1610.7514 1527.0041 1661.0023 1510.5884 8.40_731.4023m/z 731.4022788 8.40 379.9251 637.6277 518.3958 562.9204 492.7891 499.5682 8.41_100.0678n 101.0715779 8.41 2139.0909 2376.8150 2332.3099 2260.9524 2380.2384 2279.7085 8.41_124.0894n 147.0785138 8.41 12553.6875 13653.0153 12977.7309 13248.6532 13321.5366 13308.3428 8.41_130.0509m/z 130.0508515 8.41 7956.4635 8973.7977 8227.1118 8623.8311 8452.5272 8617.1230 C5H9NO4 L-Glutamic acid Glutamic acid 16015 HIGH 8.41_155.5609m/z 155.5609093 8.41 140.3591 105.9746 119.2633 112.7324 153.3882 101.0760 8.41_164.5657m/z 164.565658 8.41 84.6355 80.1874 90.4902 88.8823 100.6800 87.5908 8.41_185.0237m/z 185.0237467 8.41 1799.2541 1481.5650 1626.0071 1575.6747 1640.8480 1625.5199 8.41_244.6181n 228.5954985 8.41 205.7918 227.3863 241.7838 224.4859 230.1664 225.9082 8.41_266.1487n 289.0913371 8.41 4958.3229 4387.2182 4629.9712 4710.0803 4672.9377 4719.3881 8.41_270.1580n 293.1455747 8.41 261522.6053 290500.2653 273629.3006 279713.6909 281036.4336 284673.8289 8.41_270.2921n 293.2865345 8.41 1495.5565 2406.3706 1749.3828 1789.2277 1881.5186 1667.5062 8.41_281.1040m/z 281.1039581 8.41 5594.7088 5155.2806 5298.0437 5429.5223 5465.8718 5392.3715 8.41_281.6253m/z 281.625271 8.41 99.5468 144.2781 147.4288 112.0724 158.2305 154.7892 8.41_290.6398m/z 290.6398031 8.41 754.6860 757.2495 708.1873 765.0946 754.3781 796.5856 8.41_293.0787m/z 293.0786594 8.41 1234.3036 1349.5381 1146.9824 1150.7792 1139.7049 1273.6069 8.41_308.0940n 309.1161076 8.41 11362.6256 10153.2144 10719.2504 10778.1098 11337.2355 10982.9756 C13H16N4O3S Mecarbinzid 82083 MEDIUM 8.41_309.6133m/z 309.6133392 8.41 215.4955 187.8281 235.7345 193.5951 224.9242 245.6394 8.41_313.1405m/z 313.140454 8.41 8691.2194 10248.3251 9233.3058 10162.8027 10088.6249 9911.9019 8.41_315.1297m/z 315.1296602 8.41 14194.2114 13531.7340 13824.8599 13979.1265 14143.4124 14109.6766 8.41_322.5940m/z 322.5940008 8.41 123.7394 102.3050 130.6815 111.1199 121.4530 106.1472 8.41_325.1683m/z 325.1683186 8.41 38393.4674 40625.2759 46302.1325 48738.2376 44059.3293 44278.6844 C20H21FN2O Escitalopram Escitalopram 36791 MEDIUM 8.41_515.6772m/z 515.6772461 8.41 31.4236 50.6342 68.5543 54.3516 67.0888 70.0189 8.41_563.3041m/z 563.3040704 8.41 5719.2718 7870.9947 6710.7575 6420.1100 7006.0157 6963.6431 8.41_578.2616n 579.2688282 8.41 8745.3743 9605.9685 9107.0732 9105.9004 9319.2667 9228.2819 8.41_594.2321m/z 594.2320911 8.41 2943.7774 3051.4674 2892.6475 2865.9180 2929.7260 3009.8772 8.41_602.2851n 603.2314345 8.41 4261.6505 4489.4063 4310.0733 4359.2943 4353.2110 4366.3816 8.41_605.2322m/z 605.2322027 8.41 1471.9742 1558.9431 1526.9960 1439.0240 1575.0066 1502.6627 8.41_721.2482m/z 721.2482061 8.41 8793.8328 9741.3315 9035.1596 9175.6123 9401.6037 9208.5783 8.41_83.0864m/z 83.08642087 8.41 138.3436 120.5266 145.6045 124.4974 144.4554 145.9895 C6H12O Cyclohexanol Cyclohexanol 18099 MEDIUM 8.41_849.4263m/z 849.4262604 8.41 560.9851 1028.0125 802.2892 711.3304 777.3431 761.0714 8.41_948.2404m/z 948.240377 8.41 2628.0004 3031.6018 2606.7905 2618.9378 2609.4620 2626.6717 8.41_97.1020m/z 97.10199773 8.41 542.4602 523.0781 540.2507 518.0572 550.2261 537.7327 C7H14O 5-Methyl-2-hexanone MEDIUM 8.41_991.3890m/z 991.3890454 8.41 1309.6826 1793.1848 1529.2064 1669.0391 1528.1641 1584.9009 8.42_251.1273m/z 251.1273301 8.42 14610.0162 14951.1570 14710.0580 15137.5573 15127.1693 15181.5214 8.42_298.2010m/z 298.2010019 8.42 428.8568 470.6508 440.0102 422.0895 503.1895 450.9596 C21H30O2 delta9-Tetrahydrocannabinol MEDIUM 8.42_310.2018m/z 310.2018176 8.42 226066.6458 260499.9008 248848.0037 253064.4898 257418.9606 257225.4149 C17H24O4 Trichodermin MEDIUM 8.42_310.2551m/z 310.2550638 8.42 1184.0032 1105.4414 1173.2678 1242.0792 1201.4391 1254.6452 8.42_345.6340m/z 345.6339941 8.42 400.1705 424.4399 374.5766 440.2043 403.8831 408.5849 8.42_372.2367m/z 372.2366914 8.42 2811.9475 3179.4313 2962.7445 2976.0752 3178.4008 3104.3855 8.42_489.7185m/z 489.7185115 8.42 127.7529 143.5295 116.1891 136.2258 121.5215 136.7918 8.42_508.6908m/z 508.6907558 8.42 102.4598 107.0682 110.4956 95.0191 116.6837 122.5376 8.42_691.3010m/z 691.3009575 8.42 8239.6142 9235.1728 8450.6986 8674.9297 8864.7497 8776.4776 8.42_695.2266m/z 695.2266111 8.42 7008.4125 7792.8941 7176.2360 7305.2953 7398.6563 7371.1043 8.42_707.2665m/z 707.2665364 8.42 5826.0912 6642.0356 6183.4618 6229.5528 6347.3682 6173.7566 8.42_730.2839n 731.2257631 8.42 7839.8251 9242.9071 8212.6554 8447.7621 8448.9687 8497.9658 8.42_739.2294m/z 739.2294204 8.42 6166.0344 7364.7364 6423.3254 6740.5677 6736.2767 6511.7323 8.42_750.2368n 733.2335391 8.42 3124.2236 3102.3655 3185.2221 3095.5798 3189.0792 3142.0317 8.42_762.2250n 763.2297453 8.42 7866.8444 9202.4449 7974.5057 8196.2965 8192.1634 8037.0077 8.42_85.0293m/z 85.0292615 8.42 970.4151 1135.6856 1101.0666 1050.4651 1162.5457 1114.8334 8.43_103.0392m/z 103.0392124 8.43 187.5842 184.6216 174.7512 155.5458 183.0948 168.7269 8.43_223.0942m/z 223.094193 8.43 3654.7642 2993.9224 3131.6949 3297.5249 3670.3764 3123.7502 C12H16O5 3-Carboxy-4-methyl-5-propyl-2-furan-propanoic acid 3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid 41254 MEDIUM 8.43_336.6256m/z 336.6255805 8.43 363.3722 538.5548 387.3347 523.2762 379.1427 533.3296 8.43_553.7181m/z 553.7180792 8.43 134.9876 231.0190 173.2314 188.2311 202.8803 196.1917 8.43_736.2178m/z 736.21777 8.43 3272.4987 3679.9211 3408.0863 3497.0982 3387.8260 3375.7122 8.43_779.2665m/z 779.2664513 8.43 7480.4371 9363.5389 8263.2809 8293.2643 8374.0221 8152.9055 8.43_79.0548m/z 79.05480598 8.43 51.0971 59.7385 69.6566 60.5225 57.4222 66.7243 C6H8O "2,5-Dimethylfuran" MEDIUM 8.43_795.2770m/z 795.2769905 8.43 2076.9847 2309.6330 2181.6636 2279.4268 2188.5838 2167.6963 8.44_177.1643m/z 177.1642572 8.44 142.7946 164.1951 157.1330 138.5412 156.2442 153.1620 8.44_199.1117m/z 199.1116972 8.44 1240.8712 1205.0776 1147.2683 1177.6716 1144.1202 1142.3068 8.44_332.1200n 333.1273025 8.44 17514.5519 16025.9450 16536.8022 16931.6423 17019.3513 16742.1371 8.44_344.1374n 327.134116 8.44 21843.2225 20824.7406 21175.4047 21683.9271 21593.6253 21448.1735 8.44_360.2378m/z 360.2378449 8.44 1271.3226 1390.3650 1274.3265 1275.4317 1347.9522 1350.2249 8.44_361.1265m/z 361.1265376 8.44 2476.3033 2322.2452 2222.5426 2486.2364 2322.5142 2409.1291 C17H22O7 15-Acetyl-4-deoxynivalenol MEDIUM 8.44_363.1438m/z 363.1437707 8.44 81151.5451 84211.9102 81474.5294 83407.5092 82875.0224 83241.2930 8.44_373.6172m/z 373.6171652 8.44 132.0574 133.5899 161.8643 144.2419 194.5300 126.9415 8.44_377.1069m/z 377.1069323 8.44 22668.5609 21919.9853 21983.0804 22571.2630 22337.5624 22190.6879 8.44_380.0834n 403.0555642 8.44 761.4090 744.7968 687.3923 770.6718 734.2838 790.4754 8.44_416.3156m/z 416.3155931 8.44 1338.9670 1535.2063 1412.8649 1532.3365 1490.8906 1498.4919 8.44_435.2483m/z 435.2482688 8.44 1597.6138 2014.7658 1618.4680 1762.8620 1757.5491 1736.8674 8.44_453.6428m/z 453.642766 8.44 84.7861 73.8385 73.1170 71.1362 87.5712 76.6995 8.44_486.1728n 509.1754153 8.44 70700.4468 72733.0126 70249.2840 72307.6991 72164.4666 72171.7615 8.44_525.1318m/z 525.1317643 8.44 3307.2935 3085.8323 3197.3427 3144.7748 3201.8548 3298.7729 8.44_657.2866m/z 657.2866247 8.44 1519.8639 1796.6550 1469.0581 1668.9594 1488.1675 1569.1078 8.44_661.7228m/z 661.7227878 8.44 60.9044 95.2277 64.0306 91.8263 84.8937 83.3001 8.44_704.2707n 727.2373562 8.44 16665.1677 19638.3219 17432.3639 18203.6547 17768.4215 17694.7235 8.44_787.2310m/z 787.2310246 8.44 1848.3206 2697.7995 2135.8520 2284.1983 2147.8913 2263.6962 8.44_906.2710n 929.2807885 8.44 4628.7376 6335.7236 4794.9308 5524.5720 4497.6291 5039.8767 8.44_923.2683m/z 923.2683491 8.44 4509.3379 5750.8119 4703.8330 4967.6432 4951.6553 4917.7558 8.44_959.2405m/z 959.2404704 8.44 1242.3759 1386.1118 1134.3780 1195.0249 1178.2809 1366.2770 8.44_995.2738m/z 995.2738066 8.44 1091.0445 1200.5177 1061.4653 1014.8412 1256.8123 1102.9403 8.45_218.1295n 219.1008766 8.45 58860.1402 63475.0146 61556.6675 63660.6410 62287.1758 63597.5499 8.45_221.0781m/z 221.0781389 8.45 3497.3424 4050.1982 3813.0983 4445.2567 3774.5718 3940.7357 C12H15NO4 3-Hydroxy-carbofuran MEDIUM 8.45_227.1192m/z 227.1191688 8.45 2191.4407 1909.3674 2260.5370 1965.5214 2247.5531 2110.1269 8.45_273.6118m/z 273.6117666 8.45 82.6849 120.3083 89.0404 102.6466 120.5439 102.3377 8.45_346.2584m/z 346.2584316 8.45 430.6312 490.3711 490.0984 446.6886 496.9874 469.3272 8.45_484.2334m/z 484.233378 8.45 43301.1281 50027.8598 45845.4300 47311.4389 47639.6426 47402.5924 C27H33NO7 Cytochalasin E MEDIUM 8.45_506.2086m/z 506.2085674 8.45 5127.3660 4542.2987 4694.2023 4776.6525 4819.5544 4751.0635 8.45_668.7160m/z 668.7159867 8.45 151.4182 182.7499 158.8652 192.9280 174.5484 109.8223 8.45_685.3245m/z 685.3244545 8.45 3356.7210 3789.5085 3219.4456 3454.9458 3527.1940 3375.8002 8.45_785.2864m/z 785.2864191 8.45 1788.9090 1911.7269 1790.0082 1839.3856 1800.6912 1833.1923 8.45_921.2844m/z 921.2844192 8.45 2027.3253 2602.6553 2055.6585 2371.6807 2198.0451 2249.9212 8.45_937.2580m/z 937.2580134 8.45 6804.7097 8242.8692 6994.0901 7142.7434 7259.6440 7078.0977 8.45_960.2565n 961.237393 8.45 14506.2071 17047.2625 14859.6719 14997.7275 15704.0962 14849.2279 8.46_209.0299m/z 209.0298813 8.46 2125.9623 2597.9923 3261.9235 3346.0547 2762.2765 2753.4653 8.46_252.0729n 275.0603581 8.46 16465.2672 15723.9244 16433.5470 16758.4053 16574.0599 16454.6924 8.46_273.1726n 296.122352 8.46 22861.0189 28020.7077 34904.7166 37054.3337 29583.1214 29703.0673 8.46_311.1523m/z 311.1522822 8.46 17030.7677 17594.0267 19438.8194 20014.9146 17962.9953 18732.8076 8.46_351.6376m/z 351.6376283 8.46 107.4373 111.7951 100.7856 117.5362 83.4045 112.8780 8.46_387.1666m/z 387.1666217 8.46 22074.2743 21989.7961 21658.1717 22388.9802 22172.1658 21991.9723 8.46_444.6015m/z 444.6015031 8.46 194.2769 152.8455 157.5830 184.9385 173.2919 166.9804 8.46_451.5932m/z 451.5931548 8.46 79.8795 33.4988 60.2405 98.6073 78.8414 33.6626 8.46_469.6376m/z 469.6375569 8.46 81.1003 77.8239 92.0975 85.8750 63.7598 41.8719 8.46_607.7095m/z 607.709506 8.46 61.2488 77.0514 68.9178 75.4604 75.3046 71.3250 8.46_662.6604m/z 662.6603593 8.46 210.5208 265.6349 247.6624 266.3392 239.3742 226.9745 8.46_664.1542m/z 664.1542353 8.46 2677.6081 2865.5491 2582.6402 2726.7834 2656.8413 2659.2568 8.46_675.7052m/z 675.7052425 8.46 165.1180 202.1942 160.1933 183.7289 176.3621 178.9084 8.46_900.7096m/z 900.7095632 8.46 384.9650 313.7664 297.2038 375.1930 291.5848 388.9566 8.47_144.0948n 167.0864901 8.47 24994.7754 27770.8668 29144.3693 31563.8285 28680.4755 29092.4901 8.47_152.0628m/z 152.0628417 8.47 4310.0920 4842.4809 4916.9575 5351.2402 4873.6729 4964.4884 8.47_155.0837m/z 155.0837314 8.47 3055.5774 2962.3544 3132.9635 3181.4166 3159.6371 3159.5092 8.47_165.0714m/z 165.0713841 8.47 7567.5664 8522.5336 8750.1260 9528.1904 8618.7517 8606.9129 8.47_190.0998n 191.1070979 8.47 21822.9286 23345.5386 22661.9444 22896.7689 22920.1141 23065.8211 8.47_253.0198m/z 253.0197792 8.47 163.2426 148.8336 133.4221 166.7460 146.8924 121.6994 8.47_256.5872m/z 256.5871757 8.47 401.1763 401.5664 390.5431 412.4972 428.6655 418.9589 8.47_275.5620m/z 275.5619541 8.47 104.8750 117.1243 101.7545 105.0339 79.8662 99.9031 8.47_289.5878m/z 289.5878175 8.47 176.0512 167.1676 162.6113 148.8326 188.7919 173.6125 8.47_291.0330m/z 291.0329687 8.47 1715.2884 1590.5103 1701.1289 1647.8456 1793.7099 1635.6654 8.47_299.0265m/z 299.0264812 8.47 1171.0373 1102.9422 1073.9505 1076.8208 1180.2258 1124.7377 C8H12INO2 3-Iodo-2-propynyl butyl carbamate MEDIUM 8.47_301.0268m/z 301.0267608 8.47 1209.9418 956.8134 1151.8549 1027.9656 1246.0303 1114.8086 8.47_303.0221m/z 303.0221278 8.47 457.7548 477.6988 438.6311 481.7887 467.5334 449.3916 8.47_335.5981m/z 335.5981242 8.47 126.2374 153.8186 124.0753 136.5080 103.7459 145.2316 8.47_344.1008m/z 344.1007721 8.47 1045.1434 913.9377 1027.0567 985.5058 1119.7472 1006.9688 8.47_344.2431m/z 344.2430549 8.47 215.9954 284.4272 251.8866 251.9141 281.1793 245.3112 8.47_344.6043m/z 344.6042773 8.47 234.6620 241.7383 205.0396 273.6755 244.8012 262.3223 8.47_371.0754m/z 371.0753866 8.47 1434.5701 1270.7467 1520.8699 1496.6890 1526.3119 1400.4584 8.47_395.1997m/z 395.1996759 8.47 2258.0071 1976.1412 2221.1408 2315.0061 1998.3023 1970.2957 8.47_408.0859n 409.1551026 8.47 31327.4363 29620.8802 29864.2007 30844.4332 30638.2816 30375.2080 8.47_412.1381n 435.1264315 8.47 236178.3270 258729.1732 245168.3521 251715.4740 252142.1435 251756.8312 8.47_422.0660m/z 422.0660232 8.47 404.7421 316.8847 353.8639 294.5536 316.3949 332.3117 8.47_432.1208m/z 432.1208402 8.47 14825.9161 18558.4963 12658.2439 17796.5162 13164.7520 16228.5146 8.47_432.6194m/z 432.6193872 8.47 596.6306 616.3145 543.9473 579.2125 632.7038 553.4883 8.47_451.0938m/z 451.093802 8.47 38307.5546 37338.5618 37659.0227 37976.8603 38243.8472 37661.6219 8.47_466.0593m/z 466.0593309 8.47 6527.7042 5685.7792 6091.6345 6111.5981 6130.1637 5796.1887 8.47_469.0653m/z 469.0652875 8.47 1151.7157 985.7246 1098.6833 995.9222 1080.0366 1071.3092 8.47_479.0592m/z 479.0592093 8.47 1014.6749 900.7756 905.1367 978.7692 974.1402 917.1439 8.47_550.6720m/z 550.6719732 8.47 106.9263 171.9869 125.8245 123.7123 89.2612 93.8353 8.47_606.6704m/z 606.670406 8.47 44.3885 108.8593 64.2468 74.9304 87.4400 115.8147 8.47_615.7075n 638.6882579 8.47 1044.5416 1317.7966 1033.9219 1135.2616 1134.9349 1133.7696 8.47_646.6151n 664.6489413 8.47 410.2648 352.6551 502.0387 435.9687 475.6189 453.4422 8.47_657.6712m/z 657.6711676 8.47 468.7595 573.4365 592.5836 537.8319 508.7604 545.9514 8.47_702.1743m/z 702.1742798 8.47 1545.5359 1610.1414 1558.5905 1527.8958 1559.8364 1518.4615 8.47_711.2082m/z 711.2081853 8.47 7619.1119 8318.1848 7718.6529 7878.8333 7958.9551 7785.5493 8.47_776.2338n 799.2640903 8.47 18151.0223 23052.8585 19250.5635 19999.9125 20131.3466 19438.8767 8.47_847.2575m/z 847.2575086 8.47 9157.0345 11749.5675 10037.4352 10237.0011 10192.2470 10133.0240 8.47_856.7386m/z 856.7385921 8.47 1152.0531 1142.4953 1143.1514 1090.8101 1209.6487 1162.4576 8.47_862.2228n 863.2300938 8.47 34012.0881 39455.9883 35213.6380 35962.8759 36232.7055 35192.6231 8.47_863.7267m/z 863.7267043 8.47 1045.6453 1015.6585 1027.5962 1030.1071 1083.8538 1002.6602 8.47_875.7147m/z 875.7147273 8.47 1070.2176 946.0709 1037.7051 982.6471 1110.9634 948.6556 8.47_878.1986m/z 878.1985859 8.47 22169.3850 26405.4548 22961.8494 23394.7592 23842.2569 23347.3239 8.47_886.2456n 887.2022674 8.47 35589.3166 41582.1519 37027.5166 37608.4108 38361.4772 37201.6940 8.47_894.6968m/z 894.6968131 8.47 589.7042 589.5341 620.6734 653.4647 682.7263 580.7075 8.47_906.7010n 889.6977157 8.47 809.3620 595.6050 626.8853 730.9648 758.1977 768.6827 8.47_924.2196n 925.2005369 8.47 11611.3415 12467.6189 12101.9508 11186.9084 12244.8195 11341.2802 8.47_940.1865m/z 940.1864666 8.47 1647.3657 1773.3132 1745.0863 1630.7709 1876.5101 1641.2842 8.48_272.2009m/z 272.2009007 8.48 9165.6762 11166.1379 13642.4044 13731.1481 12562.8836 12063.9647 C18H25NO Dextromethorphan Dextromethorphan 4470 MEDIUM 8.48_289.1445m/z 289.1445281 8.48 2415.1303 1964.6862 2275.8808 2043.0786 2455.9414 2147.7638 8.48_317.0710m/z 317.0709994 8.48 4779.2161 4637.4366 4721.7856 4775.3434 4856.9200 4691.6312 C13H14F3N3O4 Ethalfluralin MEDIUM 8.48_347.1604m/z 347.1603742 8.48 6079.6316 5086.7708 5238.1426 5461.6977 5480.6839 5457.0490 8.48_347.6682m/z 347.6681724 8.48 467.4758 470.6777 494.8741 489.7476 495.8212 483.5000 8.48_355.6502m/z 355.6501593 8.48 374.7496 287.7978 365.2435 382.1421 364.9408 321.6394 8.48_455.1978m/z 455.1978483 8.48 12430.0624 11145.0605 11215.4496 11857.2220 11616.5544 11735.2082 8.48_569.6455m/z 569.6455499 8.48 91.9886 105.7044 100.1787 114.7914 85.5740 74.4100 8.48_631.1991m/z 631.1991327 8.48 3026.1415 3514.5275 3144.8487 3241.6511 3289.8411 3197.7448 8.48_631.6985m/z 631.6984736 8.48 1464.2966 1931.4431 1644.6802 1750.1747 1759.0069 1639.7797 8.48_648.3570n 671.3461886 8.48 10874.3459 15052.1342 12347.3890 12669.1430 13363.2437 12544.4461 8.48_650.6706m/z 650.6705974 8.48 602.1419 631.6086 536.2843 633.7315 607.0530 588.4382 8.48_767.2314m/z 767.2313624 8.48 3072.4398 3087.5057 3002.1392 3112.7898 3112.3137 3006.0749 8.48_775.2380m/z 775.2380136 8.48 1744.6131 1803.8081 1772.6891 1832.1855 1893.5503 1802.2458 8.48_849.2477m/z 849.2476977 8.48 32561.0591 38073.7160 34198.5972 34882.4018 35042.4700 34323.8560 8.48_887.7048m/z 887.7048081 8.48 406.5605 417.8356 438.2011 433.0235 361.1028 407.7811 8.48_927.2452n 950.2367653 8.48 13065.3593 15252.5766 13606.2221 13543.3007 13649.5607 13550.5943 8.48_930.2251n 913.22184 8.48 18289.9836 21164.8841 19085.8775 19003.8058 19481.9149 18785.6831 8.49_226.5515m/z 226.5515417 8.49 251.8215 275.3740 222.5846 247.2506 237.2447 270.9933 8.49_230.1275m/z 230.1275477 8.49 1319.0540 1413.0668 1266.0897 1395.6273 1323.8864 1361.3355 8.49_240.5920m/z 240.5919533 8.49 91.9082 87.8713 52.6808 81.6847 87.7126 83.5427 8.49_242.1544m/z 242.154411 8.49 180.2580 243.6177 234.3583 230.1658 226.7389 221.2124 8.49_292.5941m/z 292.5941437 8.49 73.3275 51.0038 73.7840 62.5461 55.9171 53.2022 8.49_345.6120n 328.6087195 8.49 766.8895 789.0694 744.5808 826.7839 826.8673 815.4108 8.49_416.1226m/z 416.1226445 8.49 3061.5844 3540.8113 3327.7956 3631.6020 3701.8457 3621.3555 8.49_416.6247m/z 416.6246512 8.49 685.1784 704.9554 691.4708 735.1842 711.8314 700.9782 8.49_543.6817m/z 543.6817025 8.49 161.1010 185.9390 182.6086 129.9155 177.8854 198.3371 8.49_562.6523m/z 562.6522747 8.49 188.0243 126.5767 143.7776 180.7252 171.8974 137.2151 8.49_583.6875m/z 583.6874928 8.49 121.3424 158.8884 122.6134 146.0658 136.4999 143.3641 8.49_830.2569m/z 830.2568886 8.49 6271.2125 8341.4982 6874.1236 7029.1325 7263.3850 6968.4597 8.49_830.7761m/z 830.7760615 8.49 805.6071 1042.2742 932.5494 926.0469 962.9647 815.1042 8.49_897.7141n 881.7211342 8.49 1561.8968 1451.3225 1392.2515 1300.1176 1482.0873 1485.3485 8.50_143.0841m/z 143.0840931 8.50 4191.3767 4210.0078 4159.7470 4296.8442 4222.5955 4223.5775 8.50_199.1037n 222.1132133 8.50 27483.9825 28115.2225 27334.6170 28284.7184 27932.7067 27975.5383 8.50_201.5527m/z 201.5527017 8.50 35.0579 22.8335 36.8826 51.9327 42.1811 33.9094 8.50_219.5656m/z 219.5656235 8.50 232.3938 250.5404 223.5718 236.2154 228.8443 260.9349 8.50_267.0439m/z 267.043942 8.50 144.7816 165.2344 126.6306 140.2635 143.8819 105.5496 8.50_268.5708m/z 268.5708295 8.50 74.0361 78.1985 65.4889 64.1672 58.7933 73.7437 8.50_319.6004m/z 319.6004155 8.50 260.1080 260.1918 248.4002 205.7640 243.5603 243.7348 8.50_340.6794m/z 340.6793507 8.50 406.0888 394.4624 402.9638 433.6587 415.8134 420.1588 8.50_377.6173m/z 377.6172531 8.50 78.4756 59.7219 73.0227 46.8463 71.3544 87.1117 8.50_389.6094m/z 389.6094157 8.50 67.2020 99.4796 28.4306 72.6345 53.9874 70.9266 8.50_425.6300m/z 425.630011 8.50 823.1668 992.3811 884.1173 920.4387 878.4373 869.4284 8.50_502.2335m/z 502.2335448 8.50 6470.3112 7124.0119 6499.0237 6915.4014 6872.5663 6701.0426 C27H33N3O5 Fumitremorgin B MEDIUM 8.50_536.6935m/z 536.6934671 8.50 224.6228 311.9240 254.4979 298.2399 291.6179 263.7360 8.50_588.6947m/z 588.6946539 8.50 79.4029 79.4913 69.7096 103.1823 88.1684 126.1768 8.50_592.7201n 576.6975035 8.50 321.9587 396.6524 284.3012 293.8811 396.3220 328.0192 8.50_624.7092m/z 624.7092172 8.50 2436.0577 2971.7347 2608.6250 2656.1884 2660.3526 2530.7246 8.50_634.3781n 657.367324 8.50 37092.1897 48241.0189 41609.2732 43589.5278 44139.6570 41413.3928 8.50_641.2120n 624.2087052 8.50 14495.6882 16459.7868 15200.7412 15428.0724 15919.4014 15350.4614 8.50_688.1868m/z 688.1867537 8.50 3490.2515 3707.6955 3465.1102 3556.2868 3640.7884 3448.4177 8.50_696.2314n 679.2280629 8.50 6462.0686 6493.7536 6409.7848 6436.4153 6602.0274 6326.9180 8.50_699.2001m/z 699.2001084 8.50 1634.2421 1646.5627 1626.9316 1652.4517 1723.1190 1631.3920 8.50_833.2780m/z 833.2780354 8.50 10612.1986 13473.7221 11294.7682 11644.3840 11681.3178 11394.1793 8.50_840.7899n 823.7866364 8.50 936.6338 1306.1792 1020.7341 1132.1543 1096.7228 1119.1365 8.50_842.7569m/z 842.7569417 8.50 1251.4792 1455.0481 1305.4395 1296.2930 1372.9808 1338.2689 8.50_849.7464m/z 849.7464349 8.50 1149.5068 1215.7270 1086.7307 1204.3258 1214.2805 1013.0570 8.50_868.7222m/z 868.7222224 8.50 1191.2532 1154.0713 1033.5715 1065.0281 1221.7977 1223.9874 8.50_872.2633n 873.2195121 8.50 28594.5885 33541.0327 29849.6574 30243.9683 30322.7958 29245.7013 8.50_897.2362m/z 897.2361712 8.50 3661.4411 4379.6456 3859.1613 3844.0225 3823.0239 3713.5599 8.51_105.0706m/z 105.0706172 8.51 862.6932 956.3186 897.6024 900.4076 948.0274 920.5857 C8H8 Styrene Styrene 27452 MEDIUM 8.51_107.0498m/z 107.0497759 8.51 1539.7412 1672.0727 1529.6421 1509.9578 1549.8449 1499.2901 C7H8O2 Guaiacol 28591 HIGH 8.51_115.0550m/z 115.0549838 8.51 3793.0949 4145.9453 3976.2682 4066.1465 4027.2023 3997.3630 C9H8O Cinnamaldehyde Cinnamaldehyde HMDB03441 HIGH 8.51_117.0709m/z 117.070911 8.51 6591.1536 7116.7138 6714.0203 6896.1083 6914.9644 6877.3843 C9H8 Indene 33051 MEDIUM 8.51_131.0855m/z 131.0855095 8.51 2346.8923 2465.7985 2314.9643 2370.0057 2395.2911 2422.7837 8.51_159.1176m/z 159.1175784 8.51 30143.9113 32701.9056 30946.8592 31931.6742 31876.0427 31906.6922 8.51_161.1287m/z 161.1287296 8.51 228.7495 229.4247 219.3522 210.6450 209.8089 203.9468 8.51_163.0757m/z 163.07573 8.51 12869.1552 12321.1565 12072.2120 11829.2953 12638.1704 12490.0368 C10H12O3 3-Methoxybenzenepropanoic acid 3-Methoxybenzenepropanoic acid HMDB11751 HIGH 8.51_174.0138m/z 174.0137974 8.51 1170.5693 1014.9741 1067.1470 1033.8882 1063.5644 1067.0800 8.51_204.1147n 205.1231193 8.51 24200.7284 25955.1220 24626.7991 25810.9156 25464.2995 25024.3839 8.51_224.5980m/z 224.5979815 8.51 126.5449 150.2091 133.6502 137.2743 141.1561 128.5157 8.51_226.5794n 210.5568159 8.51 242.9433 210.0379 249.8345 295.1960 276.3407 242.4930 8.51_233.6028m/z 233.6027645 8.51 450.1373 420.0452 428.9634 431.0590 453.6498 427.5109 8.51_242.6079m/z 242.6079481 8.51 226.6042 264.2188 221.3392 241.6936 220.6049 227.5600 8.51_245.1148m/z 245.1147545 8.51 24379.6359 24682.2542 23021.9727 23562.2032 23929.1398 23601.0485 8.51_268.5628n 252.5759808 8.51 105.8973 110.3631 118.1411 121.0428 113.7610 127.0374 8.51_298.1166n 321.1207735 8.51 14087.1284 12941.2717 13267.9088 13657.4012 13696.5099 13556.8863 8.51_307.0859m/z 307.0859088 8.51 6138.2828 5546.1998 5594.5866 6060.8723 5752.6294 5886.1898 8.51_310.2535m/z 310.2535119 8.51 236.7550 438.4534 328.1971 411.5812 442.1746 319.8713 8.51_310.3452m/z 310.3451958 8.51 287.4439 511.5946 257.0541 280.2183 412.7613 264.5571 8.51_320.6085n 321.6187201 8.51 1089.4050 1093.2484 1065.7744 1111.2171 1115.1935 1070.5610 8.51_323.6017n 341.6081447 8.51 77.9373 62.7949 25.8727 83.8054 71.6767 75.6359 8.51_329.1164n 330.122891 8.51 9828.8315 9310.3732 9340.9647 9406.1280 9762.3440 9356.8391 8.51_329.6172n 312.6139173 8.51 644.6069 658.0997 667.3595 698.3842 613.8410 603.6683 8.51_347.0811m/z 347.0811191 8.51 4040.0910 4017.2616 4122.3043 4259.6140 4308.2423 4280.4973 8.51_349.5986m/z 349.5986348 8.51 180.4528 169.2895 161.7247 191.0059 175.7160 168.1956 8.51_357.1028m/z 357.1028335 8.51 14250.9636 12965.4042 13720.3235 13724.9388 14095.3861 13618.0792 8.51_361.5840m/z 361.5839925 8.51 166.7435 120.9455 172.5213 127.6583 113.7662 105.1047 8.51_394.0356m/z 394.0355629 8.51 1344.0231 1028.0377 1183.8056 1136.2953 1205.6717 1147.0164 8.51_398.1578n 421.1475611 8.51 363524.5106 389561.0253 372053.9507 383103.2599 381566.0534 379762.0352 8.51_405.1155m/z 405.1155089 8.51 4428.4719 4162.6445 4242.3483 4424.3229 4294.8168 4352.6643 8.51_408.6619n 409.635269 8.51 661.3326 673.1293 637.8766 692.7250 704.0802 657.3197 8.51_417.1337n 418.1388331 8.51 36908.4157 36859.8244 35821.6986 37941.8588 36371.6048 37220.4265 8.51_417.6328n 418.6404892 8.51 2181.7342 2472.7226 2295.8209 2377.6690 2383.1009 2343.6322 8.51_421.3158m/z 421.3157777 8.51 3346.2144 4218.8198 3539.1257 3737.3744 3711.2228 3299.3896 8.51_421.3690m/z 421.3689709 8.51 271.6340 364.7059 220.4594 245.6900 240.6624 132.0002 8.51_434.0734m/z 434.0733796 8.51 7432.4567 7291.9774 7214.3864 7198.4538 6997.9727 7411.3245 8.51_440.1093n 463.0810097 8.51 6553.7279 6470.1454 6459.6418 6808.5674 6563.2754 6551.3482 8.51_459.1926m/z 459.1925506 8.51 3407.6087 3194.0135 3248.1313 3443.7692 3339.3842 3358.4900 8.51_461.0846m/z 461.0845838 8.51 5797.9879 5594.0340 5812.0444 5900.5121 5899.3514 5756.3914 8.51_506.6559m/z 506.6558716 8.51 40.8680 73.4526 49.6460 57.0452 51.8318 52.3515 8.51_529.7036m/z 529.7035868 8.51 435.3230 475.7370 441.8235 464.6737 452.2306 439.7924 8.51_537.6276n 555.6614489 8.51 433.3613 471.5429 412.2366 482.0631 450.4748 373.2212 8.51_548.6764m/z 548.6764215 8.51 116.4428 107.7429 128.4278 128.2909 143.2505 127.5179 8.51_608.7133m/z 608.7132956 8.51 140.4011 177.3171 159.4504 141.5954 137.5180 151.3686 8.51_611.7170m/z 611.7169637 8.51 118.8503 180.8250 99.5996 155.5038 131.8997 123.3341 8.51_617.7195m/z 617.7195318 8.51 3957.1648 4846.8448 4284.9925 4444.6494 4527.0170 4447.4234 8.51_625.2181n 608.2148575 8.51 4792.3027 4727.6818 4529.8764 4655.2373 4642.5480 4624.7809 8.51_636.6903m/z 636.6903035 8.51 381.2077 435.2005 330.6725 380.7323 386.7393 377.5756 C42H87Al Tritetradecylaluminum MEDIUM 8.51_643.6799m/z 643.6798798 8.51 863.8620 1012.3766 866.9430 918.2933 916.9360 900.1780 8.51_662.2497n 645.2463925 8.51 5863.2496 5991.8330 5813.7801 5952.6441 6044.2167 5786.1892 8.51_665.6756n 648.6723307 8.51 360.3059 430.7472 348.8801 417.1939 398.1598 406.1344 8.51_674.2051m/z 674.2051292 8.51 6368.2576 6664.1519 6365.8376 6486.6005 6487.1936 6272.0050 8.51_682.2442n 665.2408674 8.51 7535.2601 7780.1881 7411.1691 7616.9509 7704.3528 7483.3651 8.51_816.2673m/z 816.2672756 8.51 6684.6713 8993.7583 7498.0648 7573.8413 7595.2460 7686.5512 8.51_816.7981m/z 816.7980713 8.51 571.2005 836.0132 674.4326 667.9655 765.4221 655.9324 8.51_819.2932m/z 819.2932133 8.51 14967.7998 17497.3612 15420.8320 15862.4528 16155.4538 15386.5912 8.51_835.2676m/z 835.2675648 8.51 20615.9303 24833.2100 21642.8462 21967.4908 21929.2468 21593.1901 8.51_835.7686m/z 835.7685639 8.51 1053.1768 1173.2444 1232.7130 1050.9099 1294.4893 1089.6843 8.51_844.7620n 828.7737021 8.51 210.5909 272.7483 228.2212 322.2767 263.6990 287.6644 8.51_854.7403m/z 854.7402702 8.51 444.8497 486.7315 432.7191 433.7625 429.7695 406.6589 8.51_858.2759n 841.2726105 8.51 25078.3766 29618.5559 25816.6522 26606.6820 26567.8359 26349.3966 8.51_861.7296m/z 861.7296091 8.51 467.4669 529.2038 483.7935 519.9800 478.1508 440.4690 8.51_864.7558n 848.7473007 8.51 287.0368 345.3590 317.4590 352.2650 374.2639 299.5238 8.51_873.7196m/z 873.7195563 8.51 424.5379 494.7911 407.3421 445.2333 451.7436 458.5490 8.51_91.0551m/z 91.05508692 8.51 990.2344 1031.0241 982.6720 1044.1515 1028.0476 988.4958 C7H8O p-Cresol P-Cresol 17847 HIGH 8.52_103.0503m/z 103.0502608 8.52 107.3600 131.1682 126.3644 131.0915 137.0506 103.8096 C3H3NO2 Cyanoacetic acid 51889 MEDIUM 8.52_220.5761n 243.5726809 8.52 187.6528 204.4004 158.3358 201.7824 184.1085 187.4349 8.52_238.0129n 261.0849062 8.52 9906.1180 9363.6291 9826.8966 10110.6293 9877.4376 9848.6172 8.52_261.5809m/z 261.5808747 8.52 49.4648 54.6897 96.8935 44.7259 90.5163 68.1371 8.52_277.0532m/z 277.0531829 8.52 2898.5441 2513.3143 2768.3036 2545.2130 2812.9199 2622.8674 8.52_301.1143m/z 301.114269 8.52 2350.3935 2295.6141 2191.0813 2313.6148 2295.1360 2335.5868 8.52_443.1342m/z 443.1341924 8.52 12446.0723 11149.4798 11573.3781 11841.1843 11693.4253 11572.4381 8.52_447.0711m/z 447.0711219 8.52 829.6345 652.4065 742.6577 764.5906 722.0429 677.6560 8.52_447.2077m/z 447.2077324 8.52 6562.7959 6575.6039 6235.3675 6593.4599 6440.4489 6340.2547 8.52_455.0834m/z 455.0834191 8.52 1676.1681 1343.1751 1513.2414 1401.4842 1429.1268 1523.6565 8.52_623.6949m/z 623.6948884 8.52 49.4021 68.7497 44.7675 42.4134 53.1800 76.6870 8.52_827.2318m/z 827.2318113 8.52 6544.1104 7669.2217 6670.6632 6810.2710 6840.9933 6713.5632 8.54_153.1285m/z 153.1284532 8.54 153.6116 143.8661 147.7127 109.6364 136.4476 155.1588 8.54_291.1199m/z 291.119943 8.54 5434.5492 5293.2994 5290.9317 5408.5811 5445.1217 5481.8753 8.54_303.0894m/z 303.0894308 8.54 5913.0920 6176.8624 5993.3696 5943.8353 6082.0940 6089.7989 8.54_315.0787m/z 315.0786823 8.54 1788.4397 1767.0107 1915.3893 1766.1226 1939.1048 1943.4852 C10H16N2O8 Edetic Acid Edetic Acid MEDIUM 8.54_331.0492m/z 331.0491827 8.54 831.3221 778.6791 836.7783 797.3434 787.5004 730.4741 8.54_429.0538m/z 429.0538157 8.54 1220.3583 1070.0414 1160.7635 1024.3090 1168.4612 1206.6838 8.54_470.2112m/z 470.2112497 8.54 33395.8044 34649.2855 33840.7911 34036.0130 33984.2013 34467.1965 8.54_532.0331m/z 532.033138 8.54 236.5535 220.7755 248.8007 221.2162 222.4497 209.5788 8.54_657.2013m/z 657.2013234 8.54 879.4670 969.5844 926.7475 973.1870 894.3855 909.0711 8.54_899.2391m/z 899.2391483 8.54 14088.9771 17287.9852 15040.4220 15038.1360 15631.7947 15026.3779 8.55_157.0930m/z 157.0930473 8.55 2443.7622 2515.0404 2584.5922 2721.4561 2585.3408 2564.4828 8.55_177.1282m/z 177.1282176 8.55 3865.7096 4387.8653 4160.3539 4174.7995 4354.7781 4335.1548 C12H18O2 Hexylresorcinol MEDIUM 8.55_200.0605m/z 200.0605115 8.55 918.9953 909.7730 917.0762 958.5170 988.1979 938.6883 8.55_202.0773m/z 202.0772768 8.55 2366.9280 2566.9611 2834.9393 2901.1421 2802.0679 2763.1485 8.55_206.0938n 207.1011242 8.55 14254.7820 14028.0670 14642.5472 14489.0528 14556.4952 14554.1911 8.55_249.1496m/z 249.1495831 8.55 1095.2281 1005.7929 1158.0490 1172.6711 1091.0285 1096.7724 C15H22O4 Verrucarol HIGH 8.55_278.1911m/z 278.1911189 8.55 83931.4432 123157.0074 147488.0350 154547.9027 130630.3147 140166.8015 C20H23N Amitriptyline Amitriptyline 2666 HIGH 8.55_278.2408m/z 278.2407526 8.55 573.2503 832.5267 979.6255 1074.4038 992.9754 1006.1397 8.55_278.3266m/z 278.3266081 8.55 1065.1595 2362.8641 2959.1452 3131.1900 2359.6351 2400.5632 8.55_407.1725m/z 407.1724643 8.55 7068.0978 6389.1548 6557.6408 6721.9316 6728.5824 6795.8802 8.55_501.1024m/z 501.102403 8.55 1414.9398 1510.2479 1417.4189 1542.7203 1466.8624 1524.7894 8.55_505.2063m/z 505.2063074 8.55 4136.3666 4101.9140 4008.7849 4140.3070 3997.8247 4062.2848 8.55_559.2659m/z 559.2659463 8.55 2703.8616 2873.2782 2668.9502 2812.9167 2854.8373 2821.9692 8.56_250.1481n 234.1255566 8.56 15265.8297 14627.2770 15445.9471 15736.9245 15034.5213 15570.9180 8.57_251.1266m/z 251.1265539 8.57 10580.5135 10630.1929 10136.4917 10890.6490 10535.8008 10769.7158 C14H21NO4 Diethofencarb 4520 MEDIUM 8.57_382.2248n 400.2693477 8.57 14196.0813 16077.9853 15052.0551 15104.3607 15318.3072 15292.8673 8.59_124.0895n 125.0966931 8.59 1552.3687 1625.6573 1657.2741 1547.1948 1673.6991 1631.0520 8.59_210.0869n 211.0942133 8.59 21596.6139 21265.1522 21584.1614 22101.1321 22116.8813 22527.8569 8.59_226.0521n 227.0596464 8.59 17556.8232 16517.0529 17092.9404 17388.7315 17090.2015 17512.8847 8.59_241.0184m/z 241.0183708 8.59 140.1998 108.0580 109.4701 122.6729 115.4562 105.4683 8.59_243.0330m/z 243.0330275 8.59 1278.9380 1180.6089 1271.5048 1157.9964 1212.8367 1239.4893 C9H8N4OS Thidiazuron MEDIUM 8.59_252.0163n 253.0226296 8.59 923.5384 841.4118 803.2820 897.5378 830.1207 867.7361 8.59_255.0226m/z 255.0225895 8.59 1131.4720 1011.9073 1066.6745 1062.2399 1035.2933 1018.2139 8.59_268.0286n 251.0252633 8.59 1531.8438 1244.8285 1344.1880 1269.9761 1351.2886 1327.1719 8.59_288.2170m/z 288.2169956 8.59 8138.6186 9245.6581 8518.8750 8588.7617 8799.2523 8863.3756 C20H32O2 Drostanolone 34838 MEDIUM 8.59_418.1794n 401.1761409 8.59 5331.3802 5629.2358 5701.9617 5516.7504 5706.4217 5584.7053 8.59_439.1163m/z 439.1162667 8.59 9936.8395 9869.3011 9777.6474 10111.8433 10010.5520 9967.3735 8.59_449.1841m/z 449.1841194 8.59 8454.3310 8365.5966 8384.6809 8236.5150 8598.4598 8376.7851 8.59_603.2598m/z 603.2597538 8.59 1448.7682 1533.7295 1441.9846 1362.2058 1485.7817 1452.9477 8.59_611.2289m/z 611.2289308 8.59 5433.4936 5704.1284 5557.0738 5539.1341 5659.7058 5532.0325 8.59_638.0247m/z 638.0246932 8.59 481.2853 2366.5029 1178.9130 1341.5067 1264.9270 1784.2948 8.59_638.6930m/z 638.6929542 8.59 286.5975 1112.7793 574.3080 639.2461 554.3881 842.1910 8.59_655.3612n 639.197937 8.59 4922.7782 7137.1442 5723.4560 5825.1093 6007.4104 6365.2562 8.59_813.2650m/z 813.2649729 8.59 3953.0869 4516.4007 4128.3713 3980.0639 4265.5442 4001.0827 8.59_97.1020m/z 97.10201424 8.59 263.4036 261.6840 258.4106 254.2153 261.5372 256.0660 C7H14O 5-Methyl-2-hexanone MEDIUM 8.60_215.0798m/z 215.0797644 8.60 4961.2855 4744.7244 4954.5385 5196.3482 4962.0767 4969.7941 8.60_287.0936m/z 287.0936361 8.60 2708.9066 2407.9181 2563.0131 2550.3606 2662.5345 2705.5068 8.60_291.0374m/z 291.0374399 8.60 885.3867 759.0776 729.6179 822.9890 770.6743 726.8907 8.60_395.2032m/z 395.203156 8.60 2270.1237 1707.9437 1862.6780 1996.9001 1692.8600 1794.6005 C21H33NO7 Lasiocarpine MEDIUM 8.60_650.6732m/z 650.6731991 8.60 109.7358 370.5710 226.8879 220.7969 212.6826 323.8187 8.60_654.1700m/z 654.1700217 8.60 2993.0550 3193.1022 3071.4497 2980.2385 3015.5057 3073.4306 8.61_152.0628m/z 152.0628064 8.61 3039.0889 3451.9723 3224.4506 3249.5218 3325.9026 3297.9102 8.61_165.0710m/z 165.0709639 8.61 6914.8959 7785.1847 7553.8442 7433.8768 7664.4905 7490.8330 C13H10O 9-Hydroxyfluorene Fluoren-9-ol 16904 MEDIUM 8.61_167.0850m/z 167.0849563 8.61 7674.1502 8568.3567 8281.3494 8323.4185 8311.8027 8365.7744 C13H10 Fluorene Fluorene 28266 MEDIUM 8.61_256.1691m/z 256.1691099 8.61 1963.6278 2178.7296 1993.1782 2011.2584 2106.7149 2187.3890 C17H21NO Diphenhydramine Diphenhydramine 4636 MEDIUM 8.61_344.2405m/z 344.2405298 8.61 845.5368 887.7990 797.0281 885.5055 836.4908 864.9186 8.61_432.2018m/z 432.2018278 8.61 78102.5147 94764.4200 85525.2587 85442.3467 86783.9603 88462.2889 8.61_775.4261m/z 775.4261133 8.61 426.9221 796.4118 612.1544 570.1620 612.7328 679.4414 8.62_111.1173m/z 111.117298 8.62 92.1059 130.9514 107.3638 113.7094 128.3069 113.2432 C8H16O 1-Octen-3-Ol 46735 MEDIUM 8.62_139.1122m/z 139.1122425 8.62 915.3490 1077.6690 987.3160 1003.0392 1042.2968 1054.9550 C9H16O2 4-Hydroxynonenal 58968 HIGH 8.62_241.1432m/z 241.1431976 8.62 8884.1152 9293.0281 8869.3494 8898.6482 9123.0157 9268.7858 8.62_281.2259m/z 281.225888 8.62 152.5685 129.1707 120.0781 188.7112 111.1207 133.1501 8.62_300.2176m/z 300.2175542 8.62 197197.8884 225381.0050 211935.0004 213943.8388 215873.2952 219593.7180 8.62_300.2695m/z 300.2694539 8.62 1399.3885 1624.6703 1505.3714 1343.7202 1436.2765 1498.9080 8.62_300.3587m/z 300.3587314 8.62 3426.2624 4709.6900 3857.9687 3840.1753 3982.9630 3662.8474 8.62_300.6878m/z 300.687765 8.62 156.9631 407.7669 151.5754 164.7814 174.3503 185.4156 8.63_263.1244m/z 263.1243972 8.63 4092.9891 3743.6046 4068.0961 3775.5053 4023.0067 3885.2318 C15H21NO4 (ñ)-Metalaxyl 6790 MEDIUM 8.63_322.1969m/z 322.1969265 8.63 2737.1491 2475.2291 2637.7250 2488.7905 2624.2765 2623.7338 8.63_452.1917m/z 452.1916998 8.63 6062.1718 6718.7716 6153.4287 6358.8611 6144.6275 6423.8729 8.64_281.1000m/z 281.1000292 8.64 4475.6426 4618.3693 4652.1163 4685.1160 4701.5842 4701.8788 8.64_356.2419m/z 356.2418998 8.64 2496.3381 2823.9296 2566.1954 2483.4172 2519.1858 2704.3116 8.64_384.0491m/z 384.0490643 8.64 238.3108 178.3652 235.2065 208.3561 285.5929 252.6945 8.65_483.1482m/z 483.1482174 8.65 16121.0735 18001.6049 17669.0360 17218.4131 17817.6938 17427.3730 8.65_531.0927n 514.08943 8.65 2624.6079 2760.5385 2662.9975 2614.9344 2662.2135 2724.1580 8.67_152.1125m/z 152.1125305 8.67 19.9347 28.7447 26.9518 16.6674 13.5733 8.5094 8.67_243.0889m/z 243.0888609 8.67 2489.5540 2640.4613 2408.7637 2439.7044 2448.7413 2663.7183 8.67_341.1604m/z 341.1603717 8.67 7491.4712 7387.4695 7511.0032 7639.5025 7474.4928 7609.2148 8.67_499.1165m/z 499.116537 8.67 5346.1771 5569.7575 5413.0965 5519.7313 5586.0935 5484.5015 8.67_525.1308m/z 525.1307548 8.67 3251.3512 3336.5381 3386.0799 3321.2786 3310.6587 3410.9391 8.67_94.0331m/z 94.03307619 8.67 316.3655 343.2425 352.8894 302.5416 338.5740 333.7364 8.68_354.0723m/z 354.0723383 8.68 8458.4509 9577.7113 9003.5892 8964.4566 9421.1250 9121.8505 8.68_372.2374m/z 372.2373939 8.68 3501.8748 3996.2521 3576.2935 3765.1294 3691.3868 3754.9227 8.68_374.2532m/z 374.253165 8.68 3300.6886 3978.6222 3207.2687 3594.4426 3283.7450 3574.4634 C24H38O4 Di(2-ethylhexyl)phthalate Bis(2-ethylhexyl)phthalate 17747 MEDIUM 8.68_384.6518m/z 384.6518182 8.68 89.3093 116.6057 62.8871 83.6799 103.9552 98.7782 8.68_478.2589m/z 478.2588901 8.68 1409.9748 1652.6352 1489.2915 1540.6498 1500.0281 1532.9086 8.68_646.2356m/z 646.2355833 8.68 1936.7810 2188.5084 2045.3171 2029.4319 2073.4009 2050.2737 8.68_729.3460m/z 729.3460303 8.68 1084.9177 1327.1471 1231.4126 1195.6133 1210.4907 1239.5509 8.69_154.1234m/z 154.123445 8.69 561.0708 509.8918 537.5550 540.3597 567.3107 508.3764 C9H17NO2 Gabapentin Gabapentin 42797 MEDIUM 8.69_249.0739m/z 249.0738759 8.69 3573.8030 3882.6940 3761.5447 3681.5640 3831.5491 3861.2123 8.69_265.0389m/z 265.0389247 8.69 1010.1504 1024.8412 1010.5531 991.5802 1025.7924 1025.5324 8.71_195.6358m/z 195.6357685 8.71 69.9637 90.9571 72.1418 85.2566 91.8813 80.9987 8.71_365.6666n 366.6738879 8.71 230.4082 277.9187 207.6461 251.4248 237.2941 246.5317 8.71_369.6815m/z 369.6815318 8.71 534.7936 667.9544 562.8108 592.2814 589.8701 634.0572 8.71_377.6641m/z 377.6640711 8.71 349.0105 499.0070 366.8262 377.2300 437.5409 392.4515 8.71_692.3816n 715.3715581 8.71 4479.8401 5719.3388 4959.8075 4935.1919 5156.4391 4920.5366 8.72_504.1552m/z 504.1552427 8.72 8055.9863 8820.0369 8073.1326 8594.8807 8236.1349 8275.7689 8.73_195.1382m/z 195.1382083 8.73 512.6780 560.1699 518.7416 531.0052 537.4242 529.4071 C12H18O2 Hexylresorcinol MEDIUM 8.73_311.1458m/z 311.145833 8.73 4516.6515 4810.6077 4684.1530 4297.3001 4714.2131 4565.7505 8.73_411.1672m/z 411.1671559 8.73 12579.4146 12713.9825 12401.3834 12924.7830 12611.9764 12713.8566 8.74_241.0997m/z 241.0996845 8.74 5236.2236 5294.8622 5150.7705 5467.5060 5297.4982 5191.6980 8.74_351.7008m/z 351.7008191 8.74 97.0854 150.5451 138.4617 144.0515 132.5410 105.7437 8.74_359.1719m/z 359.171907 8.74 13139.6295 13692.9730 13386.1249 13795.4128 13594.6740 13438.6345 8.74_359.6844m/z 359.6843596 8.74 428.6242 563.9448 487.6650 549.2685 517.1005 515.3340 8.74_362.1902m/z 362.1901555 8.74 4314.2140 4681.1408 4331.9332 4483.0808 4347.1604 4432.7547 8.74_362.6926m/z 362.6926395 8.74 659.3143 855.2056 742.1560 785.2693 758.2763 773.6728 8.74_678.4034n 701.3931062 8.74 14900.6383 21582.7686 17850.6252 19099.3950 18504.7561 18017.7167 8.75_164.1106m/z 164.11056 8.75 25.4593 58.6288 34.5465 41.3824 50.3586 19.9691 C8H18Al Diisobutylaluminium hydride MEDIUM 8.75_215.0723m/z 215.0723116 8.75 2161.0341 2063.4771 2072.3250 2149.9762 2103.7870 2115.8350 8.75_373.1519m/z 373.1519396 8.75 2257.4721 2594.8896 2375.0938 2522.7827 2468.2667 2543.6295 8.75_416.2637m/z 416.2637155 8.75 3635.5699 3871.0524 3617.3392 3598.6641 3689.3909 3711.5565 8.75_450.1765m/z 450.1764533 8.75 9347.6016 10498.5910 9787.9188 9675.2050 9441.2819 9526.3600 8.75_502.2424m/z 502.2424308 8.75 9506.9750 10447.5336 9729.4605 9959.5520 9846.4309 9796.8340 8.77_227.1259m/z 227.1258825 8.77 4019.7229 3805.6744 3832.9693 3959.6389 3852.6506 3845.9413 8.77_258.1854m/z 258.1854459 8.77 5904.0033 7267.3345 8206.2994 8866.3571 7523.6882 7704.8696 C17H23NO Levorphanol 119572 HIGH 8.78_121.1018m/z 121.1018045 8.78 851.8028 922.0073 907.6933 908.0143 902.7064 894.5330 C9H12 Isopropylbenzene Isopropylbenzene 34656 MEDIUM 8.78_250.1199n 251.1271796 8.78 21064.1098 21930.2635 21358.3185 21755.8518 22245.9245 21930.3472 8.78_309.1950n 310.2022363 8.78 447677.4533 504127.4885 481579.2972 485346.1065 493737.3067 494931.6332 8.78_310.3458m/z 310.3457848 8.78 6685.0547 8326.1340 7327.1619 7524.9276 7582.5166 7116.4926 8.78_310.3920m/z 310.3920134 8.78 1559.6608 1943.4694 1587.7749 1567.1358 1617.7165 1283.3982 8.78_310.6823m/z 310.6823458 8.78 1315.7966 1817.2553 1477.5506 1472.4859 1530.5065 1479.1412 8.78_372.2375m/z 372.2374787 8.78 4492.8775 4858.6824 4619.6782 4384.8842 4699.2144 4401.9074 8.78_79.0553m/z 79.05530489 8.78 72.8800 72.8541 77.0073 72.7419 82.2363 72.5807 8.78_85.0293m/z 85.02930351 8.78 1404.5952 1655.2044 1495.3584 1562.0509 1624.8955 1621.2332 8.79_310.2554m/z 310.255432 8.79 1814.6404 1747.5582 1724.3768 1891.9311 1627.4636 1655.1824 8.81_211.1693m/z 211.1692753 8.81 205.1231 219.6493 204.1575 193.0594 230.7481 215.2600 C13H22O2 Isobornyl propionate MEDIUM 8.81_243.0989m/z 243.0989161 8.81 13631.5463 13689.6934 13148.5202 13710.4310 13259.3287 13560.6613 8.81_381.1868m/z 381.1868428 8.81 5814.6642 5141.7411 5438.0066 5691.0049 5442.3704 5438.7004 8.81_409.1842m/z 409.1842239 8.81 9663.7015 9493.2103 9492.1144 9912.9954 9447.0773 9500.1244 C21H28O8 Triacetoxyscirpenol MEDIUM 8.81_819.4548m/z 819.4547556 8.81 318.3996 653.9610 453.7531 461.0610 359.4944 460.4647 8.82_500.2224m/z 500.2224375 8.82 1607.0161 1742.1112 1633.9743 1706.9627 1642.3492 1638.6066 8.82_75.0033m/z 75.00334871 8.82 82.2256 68.6129 81.2955 79.5919 81.8169 76.3570 8.83_271.8973m/z 271.8972513 8.83 257.3443 192.2066 190.9936 200.1362 197.0913 216.8545 8.84_175.1487m/z 175.1487377 8.84 157.1499 155.8061 129.4210 136.0103 140.7940 140.3516 8.84_191.1439m/z 191.14392 8.84 408.5512 440.3967 430.0603 413.9990 424.5655 400.9455 8.84_229.1397m/z 229.1397336 8.84 3773.2886 3579.4999 3446.6466 3683.5066 3400.3758 3454.1986 8.85_142.0058m/z 142.0057839 8.85 475.1363 352.3862 445.7497 411.2012 431.4698 377.1863 8.85_149.9562m/z 149.9561922 8.85 654.6787 448.3628 549.3905 549.4864 518.8783 491.3322 8.85_270.1984n 253.1951279 8.85 1291.2745 1466.7597 1382.6617 1438.7298 1388.6474 1420.4105 8.85_455.2023m/z 455.2022922 8.85 5808.5193 6052.0349 5950.1407 5930.8959 6025.1166 5842.8442 8.85_507.2399m/z 507.2398762 8.85 13740.6594 14444.1182 13818.3051 14217.9933 13901.8439 13931.2267 8.86_400.0887m/z 400.0886848 8.86 2058.8139 3240.6419 1989.7278 3178.1249 1982.0839 2511.4627 8.87_584.2894m/z 584.2894031 8.87 826.2795 856.1405 893.9749 883.1337 903.1646 798.0561 8.89_125.0968m/z 125.0967957 8.89 924.3041 1067.9635 985.0617 993.5924 967.1064 990.8950 C8H14O2 2-Propenyl 3-methylbutanoate MEDIUM 8.89_154.1237m/z 154.123709 8.89 149.1282 133.6565 160.3108 153.9752 156.6992 135.5025 C9H12O 2-Isopropylphenol 38506 MEDIUM 8.89_200.1288m/z 200.1288013 8.89 4847.7558 5225.6443 4926.8938 5061.2921 4997.1344 4956.5789 8.89_290.1729m/z 290.1729408 8.89 4797.2949 5159.0075 4985.6437 4999.9718 5030.8786 4814.3980 8.89_443.3041n 466.2002747 8.89 24983.5658 25151.7347 24832.8994 25374.8736 25035.9070 25031.0426 8.89_488.2067m/z 488.2067357 8.89 5618.8864 6371.8616 5877.8050 6139.2605 5876.2097 5868.5077 8.89_76.0400m/z 76.04002002 8.89 311.5044 347.0210 328.0795 316.0554 330.6042 319.6857 C7H8 Toluene Toluene 17578 MEDIUM 8.89_97.1022m/z 97.10215033 8.89 347.6163 365.7380 348.2301 378.2494 366.1171 350.8216 C7H14O 5-Methyl-2-hexanone MEDIUM 8.90_288.2144m/z 288.2143526 8.90 10197.8811 11618.7454 11133.9404 11430.9339 11109.5004 11051.7832 8.91_153.0682m/z 153.068164 8.91 2136.5576 2147.7566 2188.1077 2229.7131 2145.7165 2131.3126 C12H11N 4-Aminobiphenyl 1784 MEDIUM 8.91_155.0858m/z 155.0858498 8.91 2932.9637 3127.3573 3044.4812 3102.6586 3052.9298 3023.3363 C12H10 Acenaphthene 22154 MEDIUM 8.91_167.0868m/z 167.0867573 8.91 34084.5023 37955.8074 37303.0520 38011.5221 36792.9415 37413.4025 C13H10 Fluorene Fluorene 28266 MEDIUM 8.91_182.0753n 165.0720459 8.91 19223.2269 21088.4256 20294.7548 21046.8617 20196.7334 20403.0627 8.91_272.1653m/z 272.1653022 8.91 24813.8828 27941.6870 27176.0660 28068.5145 27137.5578 27192.2681 C17H23NO3 Hyoscyamine (R)-atropine 17486 MEDIUM 8.91_537.2303m/z 537.230327 8.91 3095.7466 3197.7685 3175.8476 3206.9799 3114.8311 3099.9572 8.91_543.3228m/z 543.3227689 8.91 6878.5055 8627.3337 8107.7996 7794.0419 7814.2601 7897.3132 8.91_88.0769m/z 88.07686395 8.91 1886.6523 2108.5223 2087.8177 2163.0565 2098.0648 2132.1428 8.92_391.6952m/z 391.6951622 8.92 237.1440 357.8554 291.0956 312.2249 310.5017 330.0532 8.92_759.3951m/z 759.3950971 8.92 1761.8895 2282.9125 1848.8858 2051.7692 1868.5573 1826.7979 8.93_145.0654m/z 145.0654436 8.93 3200.3618 3396.1816 3327.1273 3221.8516 3226.5313 3126.6522 8.93_258.0458m/z 258.0458461 8.93 945.1569 940.9703 1014.1662 969.8602 983.2496 996.9910 8.94_183.0255m/z 183.0255105 8.94 326.1393 306.9770 394.5575 312.8165 348.8843 317.3842 8.94_209.0303m/z 209.0302535 8.94 3696.3627 4239.4781 4036.3400 4186.4508 3912.7353 4110.7158 8.94_253.0805m/z 253.0804881 8.94 16996.9700 17456.0653 16683.4007 16797.8260 16289.6869 16109.8240 8.94_370.2587m/z 370.2587297 8.94 1384.9970 1540.1988 1427.2091 1468.3533 1445.1100 1318.1290 C20H32O5 Grayanotoxin II Grayanotoxin II MEDIUM 8.94_398.1543m/z 398.1543339 8.94 184498.9773 219017.7345 205831.3362 209959.4597 204372.0032 206088.9948 8.94_398.3173m/z 398.3173442 8.94 2375.0755 3821.2052 3098.0756 3154.7525 2893.5592 2564.6344 8.95_130.0511m/z 130.0511218 8.95 1411.9209 1612.6242 1467.6039 1529.0425 1522.2874 1488.6474 C10H10O Benzylideneacetone 217301 MEDIUM 8.95_373.7148m/z 373.7147754 8.95 79.7014 159.3700 100.9149 123.4680 106.4358 110.0258 8.95_381.6985m/z 381.6984501 8.95 266.9297 436.0350 320.4875 343.7026 323.8970 316.9013 8.95_384.7058m/z 384.7058333 8.95 409.7993 609.6669 482.6335 510.1393 438.6266 475.8529 8.95_722.4303n 745.4202672 8.95 5743.8561 9343.0095 7328.4647 7777.8772 6940.9043 7091.7366 8.96_141.0708m/z 141.0707898 8.96 18713.4331 21353.9219 19968.3167 20389.9090 20162.1091 20246.5928 C11H10O 1-Hydroxymethylnaphthalene HMDB60322 HIGH 8.96_181.0064m/z 181.0063913 8.96 257.2378 160.5512 185.4405 216.6993 189.5860 187.0076 8.96_308.1629m/z 308.162874 8.96 24923.1583 24033.4113 23707.2598 23967.0413 23756.6926 23737.7998 8.96_382.2581m/z 382.2581405 8.96 1387.4860 1700.6863 1571.0580 1441.2362 1677.3800 1443.4436 8.96_473.1986m/z 473.1986016 8.96 6675.7352 6979.0062 6720.3558 6871.0726 6644.2788 6680.0174 8.96_762.9415m/z 762.9414823 8.96 336.7630 573.8961 471.3836 463.4274 473.5034 488.3557 8.96_952.4606m/z 952.4605924 8.96 122.8427 303.7802 213.7698 261.4278 190.9990 162.1284 8.96_952.7957m/z 952.7956966 8.96 385.7983 657.3868 603.2914 623.2765 530.6237 548.7664 8.97_149.1332m/z 149.1331536 8.97 1316.1421 1597.9204 1435.2440 1433.5657 1416.9256 1468.9975 8.97_177.1280m/z 177.1280297 8.97 1495.4373 1598.3181 1471.4182 1531.3803 1469.6793 1511.6241 C12H18O2 Hexylresorcinol MEDIUM 8.97_195.1378m/z 195.1378379 8.97 1872.6964 2023.3099 1778.1995 1807.1988 1766.9460 1879.8407 C12H18O2 Hexylresorcinol MEDIUM 8.97_302.1879n 285.1846513 8.97 3940.7866 4015.6381 4044.3304 3989.8301 4029.9982 3998.0534 C19H26O3 "11b-Hydroxyandrost-4-ene-3,17-dione" "11b-Hydroxyandrost-4-ene-3,17-dione" HMDB06773 MEDIUM 8.97_429.1736m/z 429.1736374 8.97 33611.5222 39875.4002 36270.6973 36578.5291 36598.9512 36778.5775 8.97_445.1412m/z 445.1411951 8.97 15867.8518 15936.8524 15734.2877 16401.4934 15644.0265 16163.2367 8.97_460.1067m/z 460.1067161 8.97 4979.9154 5010.4954 4998.1947 5060.3053 4976.1347 4974.3469 8.97_469.1087m/z 469.108704 8.97 1777.9994 1888.0305 1840.1814 1853.4926 1807.1663 1845.6761 8.97_850.2730n 851.2802967 8.97 17974.6402 23042.6644 19051.8449 19204.3219 19392.8592 19121.6624 8.97_866.2633m/z 866.2633104 8.97 10933.3682 14376.9901 11971.0755 11800.8800 11966.3837 11874.2271 8.97_875.2628m/z 875.2628389 8.97 13595.0094 17463.2978 14983.1639 14708.7454 14902.5973 14860.8352 8.98_223.5747m/z 223.5746895 8.98 175.2721 161.6213 189.1442 155.2269 165.4454 179.2550 8.98_341.1281m/z 341.1280678 8.98 7632.3256 8374.2111 7466.3495 8467.0390 7439.3808 8030.9820 8.98_763.2558m/z 763.2557583 8.98 4874.1902 5822.4625 4977.8954 5142.0665 5120.3587 5033.1973 8.98_895.2621m/z 895.2620544 8.98 4254.7476 5865.9053 4971.0412 4862.9918 4892.0869 4620.4757 8.99_281.1334m/z 281.1334153 8.99 14806.1397 13483.2722 13717.9637 14338.6265 13683.7995 14143.9503 8.99_374.6488m/z 374.6488458 8.99 213.9116 228.1038 199.3646 207.8959 211.5104 232.6309 8.99_773.4198n 791.2757004 8.99 11800.9091 13902.5846 12429.4838 12347.3894 12410.8141 11994.6584 8.99_841.2290n 825.2830705 8.99 13955.6748 15860.7095 14171.3198 14765.4064 14143.9257 14253.4390 8.99_846.2661n 847.2601555 8.99 6217.1210 8158.5813 7143.8577 7022.8058 6954.7107 6806.1182 9.00_326.1969m/z 326.1968718 9.00 55359.0384 63953.0675 60461.7615 60490.0694 60241.3419 60693.4947 C17H24O5 15-Deacetylcalonectrin MEDIUM 9.00_386.1790m/z 386.1789535 9.00 10480.1343 11544.5312 10754.0309 10965.7246 10748.8361 10903.5811 9.00_393.6222m/z 393.6222427 9.00 50.1708 73.2169 58.7271 28.7434 42.2737 30.2632 9.00_400.2688m/z 400.268773 9.00 133.8728 260.2859 226.1478 188.7362 234.9871 202.3479 9.00_426.1834n 449.1795102 9.00 17827.1756 18055.8309 17888.7347 18242.8716 17658.8527 17975.7832 9.00_663.7345m/z 663.7344986 9.00 20.5179 57.6649 56.4886 44.7610 49.1553 42.0739 9.00_775.2913m/z 775.2913397 9.00 2122.0676 2487.2765 2191.4893 2164.0147 2234.1650 2199.9109 9.00_777.2792m/z 777.2792499 9.00 6349.4375 7799.3640 7035.6443 6973.9306 6968.9325 6851.8778 9.00_806.2680m/z 806.2680426 9.00 6351.0271 7969.6980 6761.5650 6757.1313 6780.4964 6670.0338 9.00_814.2814n 815.2549969 9.00 25550.0179 28643.1634 26400.7860 26383.6525 26347.0119 26091.8668 9.00_851.7497m/z 851.7497356 9.00 86.8742 156.7392 56.2466 125.9140 94.2404 130.9614 9.00_885.2797m/z 885.2796635 9.00 14149.2019 18520.0593 15542.3626 15587.8055 15585.9747 15407.4989 9.00_909.2554m/z 909.2554337 9.00 9033.6163 12199.6764 10061.2595 10218.4684 10232.0390 10194.0194 9.00_924.2740n 925.2741301 9.00 7111.9179 9657.7482 7593.9302 7959.4638 7421.7016 7702.5567 9.00_973.2464n 996.2911608 9.00 2297.7423 3371.7283 2644.4248 2654.9693 2563.9280 2705.3500 9.01_123.0814m/z 123.0813675 9.01 2905.8122 2687.0413 2774.1566 2878.8633 2693.7494 2741.9085 C8H10O 4-Ethylphenol 49584 HIGH 9.01_151.0761m/z 151.0761215 9.01 13981.9027 15439.0765 14770.8923 15014.8673 14620.2210 14729.3574 9.01_152.1211n 175.0748638 9.01 8298.3034 8778.2449 8261.4891 8493.5048 8270.4368 8263.7626 C10H16O Alpha-Pinene-oxide HMDB03667 HIGH 9.01_193.5645m/z 193.5644653 9.01 109.1355 85.9170 91.2856 72.2351 101.4102 91.4167 9.01_218.1274n 201.1240719 9.01 1700.9824 1842.2400 1615.8990 1713.2766 1555.0852 1708.2678 9.01_229.1249m/z 229.1249211 9.01 2871.8060 2930.6170 2734.5396 2830.6892 2675.0120 2833.6607 9.01_240.5668m/z 240.5668141 9.01 171.2872 153.4704 164.2931 155.9766 168.4809 130.4434 9.01_247.1292m/z 247.1291556 9.01 10419.9169 11525.6144 10569.2373 11055.7868 10558.8768 10825.5561 9.01_257.1064m/z 257.1063612 9.01 8386.9306 8621.6126 8232.1492 8647.5530 8392.4343 8576.2017 9.01_272.5750m/z 272.5750498 9.01 136.8348 150.2456 151.3193 137.7897 154.1442 156.5377 9.01_278.6288m/z 278.6288397 9.01 74.5348 77.1754 56.2740 69.2334 65.4171 66.1266 9.01_280.5734n 281.580472 9.01 119.2370 107.7590 127.8827 95.0223 77.3323 92.1320 9.01_302.6633n 286.640757 9.01 112.7832 158.1499 139.5679 163.9271 139.1789 156.3848 9.01_310.0900m/z 310.0900053 9.01 1036.0621 1039.6310 1028.7740 1094.5096 897.8152 1024.3105 9.01_316.6271m/z 316.6271308 9.01 87.3738 103.7206 71.7555 101.1518 100.5353 93.0217 9.01_328.5861m/z 328.5861381 9.01 109.8591 132.9766 92.7393 118.4275 112.6585 114.4184 9.01_346.1587n 369.1530883 9.01 146517.3903 159272.8496 150035.5492 155770.2290 151792.3456 153511.0685 9.01_366.6457m/z 366.6456826 9.01 353.3683 410.0830 402.1457 421.6220 396.9083 380.4618 9.01_369.3099m/z 369.3098634 9.01 1078.8589 1573.5903 1204.5142 1259.7563 1193.9731 1024.3324 9.01_390.1579n 373.1546071 9.01 12947.6398 13271.5113 12750.5679 13541.6586 12737.9592 12955.7584 9.01_400.0829m/z 400.0829308 9.01 5877.5873 5471.0906 5611.1366 5709.9323 5472.2530 5728.1012 9.01_404.6432m/z 404.6432034 9.01 98.5697 98.0113 77.4528 84.0463 85.4364 81.2520 9.01_409.0848m/z 409.0847673 9.01 4054.4158 3734.5153 3844.2130 3852.9009 3751.4442 3942.0801 9.01_411.0820m/z 411.0819731 9.01 2020.6880 1762.4400 1903.6557 1864.0688 1810.2821 1858.1171 9.01_413.6479m/z 413.6478685 9.01 253.0356 317.2770 278.4296 263.6298 252.8447 313.4653 9.01_415.1476m/z 415.1475979 9.01 6655.0661 6303.4565 6286.6961 6555.2344 6262.9697 6395.5044 9.01_457.1729n 458.2032533 9.01 18286.9973 19780.4849 18484.5254 19043.4323 18212.1956 18003.5948 9.01_460.6507m/z 460.6507204 9.01 57.1103 70.2768 56.9458 40.9896 59.5509 65.0423 As2Mn3O8 Manganese arsenate MEDIUM 9.01_476.0587n 494.0925704 9.01 5994.4625 5629.8394 5761.2387 5689.4570 5626.8413 5666.9241 9.01_479.1247m/z 479.1246811 9.01 12069.1886 11704.0615 12086.5103 12157.4763 11863.7620 11980.8813 9.01_502.0847n 503.0920232 9.01 3990.0638 3673.4625 3867.1512 3842.9059 3758.6049 3840.6015 9.01_505.0893m/z 505.0892604 9.01 1682.8006 1513.0465 1665.8460 1537.1287 1530.2820 1486.7027 9.01_601.6731n 584.6697679 9.01 152.9635 170.1278 171.7899 165.4719 163.7302 183.0279 9.01_602.7522n 586.7295872 9.01 708.1514 845.8377 729.0343 736.1100 724.6393 732.7857 9.01_605.7047m/z 605.7046584 9.01 140.4986 171.0350 144.1613 117.0543 138.5569 108.7654 9.01_615.7092n 633.7319355 9.01 486.3352 634.8383 515.7511 552.3478 484.3482 479.0479 9.01_633.2342m/z 633.2342123 9.01 2124.2902 2346.3071 2104.8179 2184.9837 2131.2703 2161.4593 9.01_652.7009m/z 652.7008656 9.01 49.7241 97.1441 89.0844 139.8599 70.6335 112.4069 9.01_715.3125m/z 715.3125315 9.01 20925.2536 25860.0233 22125.7556 23155.9495 22234.7715 22077.9210 9.01_756.2672n 757.2487536 9.01 11782.9628 13069.4388 12079.2289 12102.5884 12107.1247 11985.2497 9.01_785.8053m/z 785.8052564 9.01 86.8879 156.0197 142.6413 170.0501 122.9343 103.3385 9.01_795.2546m/z 795.2546172 9.01 3110.8144 3581.4194 3371.9424 3326.4835 3238.0133 3224.1233 9.01_807.7599n 808.7506348 9.01 502.1055 689.4359 580.9466 580.6744 603.0518 481.4792 9.01_809.2948m/z 809.2948406 9.01 4692.1170 5698.9084 4972.6567 5106.1979 4975.1225 4856.7481 9.01_811.2958m/z 811.295838 9.01 6526.7047 7331.4120 6622.9533 6706.2083 6534.5593 6399.5204 9.01_814.7685n 837.744909 9.01 406.9755 568.2306 459.0202 479.6060 541.5698 398.6623 9.01_816.7380m/z 816.7379736 9.01 337.5079 344.1900 223.1247 309.0657 299.5340 275.6717 9.01_821.7682n 822.726753 9.01 414.7195 593.8520 534.8691 329.0045 461.8923 479.7798 9.01_840.2475m/z 840.2475377 9.01 14275.3747 18142.4357 15188.6581 15573.4771 15525.5807 15388.6222 9.01_848.2713n 831.2679886 9.01 21695.4636 27942.9928 23971.7998 23869.0515 23895.3298 23356.7200 9.01_855.7461m/z 855.7461184 9.01 108.1061 126.7696 112.6064 146.1651 133.7313 79.5573 9.01_903.2841m/z 903.2840558 9.01 5819.7821 7677.7900 6260.8412 6404.8707 6367.9931 6203.4287 9.01_919.2798m/z 919.2797982 9.01 5605.8265 7157.2117 6182.1138 6240.6773 6030.0134 6088.6115 9.01_935.2578m/z 935.2578053 9.01 4363.2969 6114.2175 4907.6451 4777.9847 4769.2001 4830.2947 9.01_940.2497n 941.2569379 9.01 1858.6067 2592.8294 2084.3839 2222.3636 2210.3794 2078.1042 9.01_943.2573m/z 943.257311 9.01 5971.1890 8240.0240 6687.5688 6707.3953 6841.0106 6614.8779 9.01_95.0863m/z 95.0863251 9.01 433.9523 491.6539 421.2367 467.1203 422.0368 435.0123 C7H12O 2-Heptenal MEDIUM 9.01_977.8165m/z 977.8164505 9.01 84.9977 167.4153 111.8091 137.2869 132.0080 152.2360 9.01_985.8095m/z 985.8095436 9.01 94.3615 164.1133 126.2345 127.7872 83.4218 130.1761 9.02_105.0706m/z 105.0705852 9.02 597.2571 652.0945 603.5943 639.3850 598.9369 571.8457 C8H10O 3-Ethylphenol HIGH 9.02_107.0862m/z 107.0862344 9.02 1221.6940 1332.6762 1244.9322 1235.3346 1218.4981 1214.4652 C8H10 o-Xylene 28063 MEDIUM 9.02_133.0633m/z 133.0632815 9.02 271.1427 227.1540 241.9576 227.3868 247.2212 264.4464 9.02_137.1329m/z 137.132936 9.02 127.0881 129.9609 146.7715 130.0961 145.7110 127.0256 C10H16 Terpinolene 9457 HIGH 9.02_148.0715m/z 148.0715097 9.02 1434.3417 1397.8959 1359.8063 1387.4256 1429.2193 1422.4469 9.02_184.5590m/z 184.5589527 9.02 48.6582 65.0306 41.4568 69.0284 54.7486 62.4940 9.02_249.1483m/z 249.1482917 9.02 841.1860 748.6025 758.6735 796.7364 756.2710 786.9488 C15H22O4 Verrucarol MEDIUM 9.02_266.0621m/z 266.0620572 9.02 370.9487 297.7749 269.6339 288.1630 340.1769 277.7088 9.02_311.1491m/z 311.1491359 9.02 35534.6851 36316.4140 35967.3525 36253.8436 36551.2703 35886.1006 9.02_383.6366m/z 383.6366112 9.02 309.4772 367.8042 323.2664 341.9813 355.9915 314.8023 9.02_385.1195m/z 385.1195316 9.02 8932.2339 8724.4815 8462.8962 8740.8952 8567.7857 8992.5315 9.02_385.6197m/z 385.6197 9.02 164.1019 139.5662 144.5435 141.7262 122.1195 150.6207 9.02_391.1358m/z 391.1358029 9.02 5556.6437 5016.5590 5240.3022 5281.4353 5135.3580 5339.2602 9.02_430.0837n 431.1266544 9.02 34212.5261 32236.1856 33056.1490 34026.1520 32626.0405 33274.2892 9.02_452.1898m/z 452.1898474 9.02 5533.0775 5981.2477 5642.2083 5743.9643 5549.2285 5598.3153 9.02_462.1147n 463.1587225 9.02 89412.6108 100841.4216 94479.5098 93643.6794 91959.7400 92961.6323 9.02_581.7346n 565.7120067 9.02 242.2314 327.6530 258.1595 307.6329 289.0025 272.5606 9.02_612.7243m/z 612.7243467 9.02 236.2289 294.3171 276.2513 210.9426 252.8837 262.7623 9.02_635.2564m/z 635.2563992 9.02 1790.8801 1918.8921 1794.5516 1849.5080 1717.8402 1804.3922 9.02_729.2409m/z 729.2408811 9.02 6196.3554 7456.1360 6503.0291 6660.8234 6568.8088 6399.2827 9.02_731.2807m/z 731.2807037 9.02 25839.5034 29740.6226 26655.1414 27614.0397 26879.4232 26713.2874 9.02_746.2466m/z 746.2465614 9.02 11306.5224 12177.5284 11576.7992 11132.6808 11503.5397 11144.3127 9.02_754.2816n 755.24819 9.02 5809.4488 6513.4350 5708.7611 6144.4728 5756.6029 5835.9204 9.02_757.7403m/z 757.7403445 9.02 89.6360 97.0065 73.2870 93.1345 86.3162 118.2031 9.02_769.2839n 787.2529459 9.02 10138.3874 11846.9838 10692.6575 10658.9023 10793.2664 10460.8726 9.02_780.2392m/z 780.2392375 9.02 5921.8280 7385.1755 6366.9347 6822.9512 6489.6048 6600.3688 9.02_788.7445n 806.8112821 9.02 368.3586 562.0991 424.1309 393.1203 400.2915 423.9528 9.02_79.0552m/z 79.05517586 9.02 195.1666 211.2153 185.7244 183.3169 195.0270 200.4289 C6H8O "2,5-Dimethylfuran" MEDIUM 9.02_93.0706m/z 93.070581 9.02 754.9207 813.9176 755.1168 795.8675 766.5476 752.4255 C7H8 Toluene Toluene 17578 MEDIUM 9.02_930.2536m/z 930.2536421 9.02 4050.8729 5604.8658 4827.8494 4480.9621 4525.6972 4285.5223 9.02_982.2764m/z 982.2764032 9.02 1843.0079 2742.6096 2272.5609 2255.7777 2166.0539 2175.9058 9.02_989.7987m/z 989.7986691 9.02 129.2771 235.1295 207.3183 158.7552 195.6651 169.2600 9.02_996.7965m/z 996.7965261 9.02 165.8930 310.4591 155.5860 241.4936 293.9417 218.6382 9.04_108.0582n 91.05492748 9.04 855.9611 894.3291 863.2088 890.9921 884.3401 874.3023 C7H8O p-Cresol P-Cresol 17847 MEDIUM 9.04_131.0854m/z 131.0853577 9.04 2273.0331 2300.0810 2196.1814 2179.7569 2234.1743 2185.9703 9.04_163.1124m/z 163.1124284 9.04 623.2231 689.8515 635.5734 612.5584 611.5670 629.0160 9.04_164.1210n 147.117669 9.04 1127.3023 1285.4894 1156.2095 1168.8009 1168.6391 1257.3736 9.04_175.1122m/z 175.1122185 9.04 852.3864 870.1672 821.9587 856.9728 818.9767 855.6486 9.04_209.1171m/z 209.1170782 9.04 3353.0067 3408.1330 3312.7220 3303.2700 3446.7799 3412.6480 9.04_284.1242n 267.1208839 9.04 80451.9308 90770.7521 85455.1309 84882.9387 87237.0171 88734.8440 9.04_363.1452m/z 363.1452379 9.04 14942.5949 15774.2220 15119.7066 15382.6892 15055.8036 15262.8632 C17H19N3O3S Esomeprazole 50275 MEDIUM 9.04_419.6605m/z 419.6605384 9.04 45.3327 44.1993 29.1951 36.5817 35.1753 37.3224 9.04_571.2333m/z 571.2333388 9.04 8457.3756 8497.3918 8335.2742 8595.6991 8205.9394 8349.7589 9.04_600.1993m/z 600.1992529 9.04 7457.7998 7845.4179 7480.8718 7607.9469 7473.1748 7546.5929 9.04_615.2550m/z 615.255007 9.04 2945.4413 3295.6168 3089.1087 3133.4673 3027.1488 3088.5755 9.04_629.2475m/z 629.2474612 9.04 5508.9960 6163.3076 5790.9100 5578.7044 5772.1085 5918.7017 9.04_644.2173m/z 644.2173199 9.04 7948.3440 8663.1099 8271.9796 8044.5631 8259.6487 8153.6632 9.04_655.2470m/z 655.246996 9.04 2520.0482 2763.8591 2472.1581 2645.4163 2494.8407 2551.1133 9.04_656.2371n 657.2443779 9.04 8662.5210 9500.5422 8809.3358 9149.6742 8921.9512 8823.1623 9.04_723.2559m/z 723.2558751 9.04 2530.6097 2766.1707 2592.6341 2562.3520 2516.8675 2557.1686 9.04_767.3038m/z 767.3038118 9.04 7762.8104 8630.5855 7915.6119 7866.4910 7968.4190 7904.2558 9.04_783.2716m/z 783.2715833 9.04 4341.3592 4948.6664 4500.9029 4519.4785 4412.7775 4526.1729 9.04_898.2512m/z 898.2511803 9.04 5333.1247 7767.1551 6086.8884 6114.5429 6069.7950 5957.3678 9.04_956.2649m/z 956.2648502 9.04 1752.1278 2641.8261 1896.0921 1967.1958 1888.7754 1977.0226 9.04_968.2653m/z 968.2652545 9.04 1754.5792 2443.6684 1926.9028 2046.6709 1775.1840 2074.4974 9.05_269.1335m/z 269.1335224 9.05 21216.0776 21408.7588 20898.1286 21225.1450 21288.4759 21672.7937 9.05_279.1700m/z 279.1699773 9.05 2240.2348 2305.4041 2169.1158 2171.4151 2198.1962 2202.5566 9.05_283.0867m/z 283.0867075 9.05 7623.9936 7536.0394 7635.2361 7685.6079 7772.3990 7916.9152 9.05_298.0524m/z 298.0524029 9.05 1634.1181 1527.0657 1612.1683 1493.1415 1624.5117 1625.5056 9.05_307.0528m/z 307.0528459 9.05 2146.0660 2096.7555 2018.2698 2156.0441 2122.3357 2069.8939 9.05_453.2006n 454.2078491 9.05 34344.0546 41509.4507 37691.3702 37376.6670 37847.0646 39073.1445 9.05_527.2287m/z 527.2286689 9.05 10339.3723 10165.5942 10118.8424 10437.0605 10051.4422 10172.4805 9.05_585.2239m/z 585.2238941 9.05 6356.7788 6696.8108 6290.8397 6452.3760 6390.1839 6472.2369 9.05_681.2453m/z 681.2452725 9.05 6432.1930 6923.1681 6486.6847 6646.0801 6598.7102 6612.3046 9.06_238.0546n 239.0618673 9.06 4924.9682 4670.0595 4684.9949 4763.4641 4651.5730 4892.5710 9.06_255.0676m/z 255.0676229 9.06 3020.0430 2939.8977 3080.0926 2766.7875 3006.7106 2985.4246 9.06_377.0947m/z 377.0947387 9.06 4493.5518 4653.5395 4564.5872 4655.2935 4671.6264 4516.0367 9.07_479.2042m/z 479.2041718 9.07 6449.6714 5272.1000 5603.2246 5488.0141 5526.9315 5513.6266 9.08_159.1176m/z 159.1175711 9.08 3484.9679 3945.5405 3751.8921 3755.1480 3766.0124 3816.6579 9.08_190.1197m/z 190.1196707 9.08 590.1907 637.8210 598.8681 655.7784 571.8506 625.7886 9.08_245.1155m/z 245.11546 9.08 7159.8045 7631.9455 6941.2826 6648.1529 6622.7942 6674.1491 9.08_297.1662m/z 297.1662025 9.08 11337.7592 12117.4325 11531.4156 11722.7407 11799.1379 11756.2774 9.08_312.6134m/z 312.6134207 9.08 45.7565 62.6222 58.3911 59.1169 74.0884 38.6350 9.08_341.2101m/z 341.2100638 9.08 5278.2486 5521.7516 5284.8632 5151.1814 5243.4413 5559.0739 9.08_370.2586m/z 370.2586242 9.08 712.8045 836.1241 754.2191 798.3953 785.9145 774.8761 C20H32O5 Grayanotoxin II Grayanotoxin II MEDIUM 9.08_416.1927m/z 416.1926566 9.08 4236.5630 4607.2272 4227.1050 4500.6415 4222.8846 4338.8383 9.08_434.0703m/z 434.0703024 9.08 3444.0674 3597.0577 3290.7034 3476.4190 3426.1190 3409.8268 9.08_437.1152m/z 437.1151991 9.08 5085.6194 5230.2879 4945.4618 5265.0793 4870.8091 5177.9032 9.08_460.1408n 443.1375563 9.08 11780.4394 11611.1185 11437.9184 11654.1630 11687.2240 11662.7199 9.09_107.0497m/z 107.0497445 9.09 132.8377 160.3151 124.8088 119.1934 120.4999 107.6506 C7H8O2 Guaiacol 28591 MEDIUM 9.09_271.2058m/z 271.2057538 9.09 375.4086 408.3094 387.5330 353.9750 383.2205 393.5557 9.09_287.1239m/z 287.1239453 9.09 5342.7025 5604.0865 5276.4922 5364.2487 5284.0679 5355.4742 9.09_365.1909m/z 365.1909469 9.09 6106.3990 6200.9430 5843.3041 6150.7312 5834.1015 5989.1528 9.09_505.2330m/z 505.2329954 9.09 4635.8289 4325.1047 4397.6595 4363.1495 4355.6401 4410.0942 9.10_231.0327m/z 231.0326797 9.10 322.3760 283.6658 284.2861 290.8691 311.4317 310.3684 9.10_347.0594m/z 347.0593547 9.10 1087.2860 1111.1284 1039.0600 1031.9478 1113.5316 1080.0229 9.10_366.0751n 389.0674597 9.10 2353.1503 2316.9251 2405.2935 2438.0019 2390.6841 2390.8917 9.10_383.0485m/z 383.0484621 9.10 1380.1297 1313.3310 1303.6283 1314.9629 1275.3678 1328.3985 9.11_241.1421m/z 241.1420999 9.11 2395.4831 2376.8477 2408.4441 2454.7904 2552.1344 2442.0966 9.11_300.2176m/z 300.2175677 9.11 43663.7254 49781.7390 46695.6215 46817.2192 47575.1849 47811.4897 9.11_507.2241m/z 507.2241319 9.11 2680.1183 2580.0988 2598.7051 2646.7199 2719.7674 2647.1897 9.12_161.0566m/z 161.0566334 9.12 591.8892 567.5229 612.4244 622.8878 614.8365 574.8029 9.12_407.1541m/z 407.154094 9.12 6613.4643 7029.4507 6716.1476 7151.5438 6766.0786 6967.6446 9.12_446.1489m/z 446.1489189 9.12 2006.0592 1855.8706 1788.8690 1864.7955 1769.3539 1899.1111 9.13_374.2525m/z 374.2525322 9.13 487.6276 520.0210 454.5977 419.5509 550.9964 442.0684 9.13_403.2050m/z 403.2049694 9.13 1374.7402 1439.6654 1259.3648 1330.2639 1289.8507 1235.3107 C20H32N2O3S Carbosulfan 38476 MEDIUM 9.13_403.7147m/z 403.7147395 9.13 153.4167 294.6640 220.8453 216.7271 168.8695 220.9002 9.13_406.7184m/z 406.7183926 9.13 214.4372 381.6320 267.9279 305.4241 268.6350 288.0620 9.13_766.4563n 767.300717 9.13 4685.4563 7013.4876 5507.3271 5856.0849 5233.0260 5506.8202 9.14_152.1211n 135.1177669 9.14 2386.9480 2608.5678 2499.9768 2428.5150 2557.9708 2532.1117 C10H16O Alpha-Pinene-oxide HMDB03667 HIGH 9.14_193.5641m/z 193.5641431 9.14 52.8370 78.4834 71.5358 61.8888 71.6677 65.2508 9.14_295.6212m/z 295.6212038 9.14 286.1635 311.7950 272.2114 305.1036 323.4633 275.2920 9.14_368.1456n 369.1528911 9.14 60167.5092 66793.3973 64285.8143 63680.1812 66593.1125 65182.1855 9.14_385.1205m/z 385.120538 9.14 8174.1195 8661.7963 8449.8306 8636.5846 8595.1357 8552.6632 9.14_385.6177m/z 385.6177499 9.14 72.9772 73.9940 62.7050 91.7060 72.5799 90.5235 9.14_400.0845m/z 400.0844731 9.14 5113.8634 4906.0705 5161.1656 4967.2960 5134.9304 4886.2670 9.14_409.0846m/z 409.0845794 9.14 2429.4572 2625.0636 2547.5042 2653.1661 2593.7718 2597.6035 9.14_445.0639m/z 445.0638888 9.14 3785.7031 3607.3209 3677.2599 3693.6909 3818.8739 3699.1391 9.14_455.0883m/z 455.0883376 9.14 1098.1216 997.2054 1074.0493 1037.5282 1110.9844 1028.5876 9.14_734.2956n 757.249682 9.14 4940.5470 5730.8884 5221.4708 5237.6622 5223.8790 5225.5963 9.14_746.2426m/z 746.2426458 9.14 3355.6993 4013.1464 3540.4315 3491.1025 3637.4385 3544.1777 9.16_209.0301m/z 209.0300999 9.16 3123.5965 3643.6578 3321.3666 3352.8675 3416.6909 3263.1634 9.16_272.5745m/z 272.5744504 9.16 45.9667 83.4067 97.4490 78.6301 87.5124 82.8034 9.16_366.6446m/z 366.6445674 9.16 132.2034 166.0473 155.5279 163.7872 172.8376 186.1594 9.16_411.0830m/z 411.0829611 9.16 1414.0658 1377.6892 1400.5812 1355.9513 1516.8667 1439.1439 9.16_430.0846n 431.1241295 9.16 19717.9532 19467.3976 20168.7619 19626.0360 20334.2309 20164.0258 9.16_574.2463m/z 574.2463433 9.16 11887.2136 12402.2761 11647.5070 12282.7531 11847.6912 12037.6157 9.16_755.2728m/z 755.2728429 9.16 3384.3473 3823.7551 3706.9713 3428.2112 3698.9620 3573.3958 9.16_921.3065m/z 921.3064988 9.16 1122.9275 1899.8601 1387.8278 1065.7653 1268.6929 1358.2146 9.17_209.0792m/z 209.0791908 9.17 4293.6537 3449.6973 3949.1790 4033.8141 3786.6852 3995.1881 C11H12O4 Monoisopropyl phthalate 35118-50-4 HIGH 9.17_253.0802m/z 253.0801867 9.17 4698.4191 4578.9646 4616.1224 4499.9901 4599.8541 4596.3102 9.17_354.1252m/z 354.1252058 9.17 63305.4444 75641.9675 69195.3934 70399.1696 70491.0980 70173.1437 9.17_559.2177m/z 559.2177153 9.17 2059.5549 2075.6208 1993.3138 2070.7083 2055.8291 2070.9441 9.17_742.2367m/z 742.2366857 9.17 1102.3935 1303.5844 1239.8623 1169.4994 1222.8225 1217.3477 9.18_130.0656m/z 130.0655565 9.18 2434.4443 2523.4448 2436.0878 2464.8978 2344.1926 2356.5321 C9H9NO Indole-3-carbinol Indole-3-carbinol HMDB05785 MEDIUM 9.18_137.1332m/z 137.1332292 9.18 100.8988 109.8232 106.7444 98.9790 111.8655 100.4900 C10H18O 4-Decenal HIGH 9.18_339.1437m/z 339.143733 9.18 5046.8825 4163.9803 4810.6812 4870.6299 4883.9503 4802.1275 C17H22O7 15-Acetyl-4-deoxynivalenol HIGH 9.18_341.1347m/z 341.1347175 9.18 10490.8657 11511.9377 11373.1031 11168.9939 11556.4078 11353.4482 C18H22O5 "(S,E)-Zearalenone" MEDIUM 9.18_358.1307m/z 358.1307273 9.18 8841.0270 9326.0652 9019.5889 9047.1615 9311.5403 9181.5093 9.18_402.0966m/z 402.0966398 9.18 10460.6001 10450.1873 10465.8656 10599.5351 10522.2613 10558.0916 9.18_402.2855m/z 402.2854918 9.18 6593.1360 8102.5433 7195.5607 7302.9493 7337.9972 7417.2938 C26H42O4 Diisononyl phthalate 35459 MEDIUM 9.19_171.0820m/z 171.0819662 9.19 2925.5793 2919.0270 2948.3462 2979.8726 2948.3986 3004.6539 C12H10O 2-Biphenylol 17043 MEDIUM 9.19_240.1729n 223.1696177 9.19 556.3075 663.1672 581.0034 534.5606 576.9936 545.8215 9.19_265.1054m/z 265.1054134 9.19 3712.2315 3458.6691 3678.7066 3720.0653 3724.8469 3705.8382 9.19_274.0398m/z 274.0397741 9.19 315.7113 314.5142 346.6257 286.2028 327.8239 314.6550 9.19_301.0418m/z 301.0417848 9.19 1868.6375 1714.0296 1826.7771 1731.1907 1887.7993 1811.0861 C12H10F3N3O4 Nilutamide 7573 MEDIUM 9.19_396.0809m/z 396.0809328 9.19 1790.3965 1630.0501 1682.1795 1753.8463 1782.8951 1758.4296 9.20_228.0792n 229.0865128 9.20 5477.2460 6394.4488 6049.2809 5923.0499 6266.6217 6281.9995 C14H12O3 Oxybenzone Oxybenzone 34283 MEDIUM 9.20_267.0325m/z 267.0324842 9.20 226.2498 257.1627 246.7890 294.2673 246.4137 207.1137 9.20_305.1007m/z 305.1006595 9.20 3774.1811 3984.8171 3963.7554 3755.9878 3972.7880 3920.5098 9.20_426.0954n 427.1026402 9.20 5819.3950 6995.6332 6308.4148 6339.6025 6479.5213 6456.8116 9.20_475.2476m/z 475.2476035 9.20 28338.3120 33583.5221 30484.1597 30668.0825 30986.3342 30985.3074 9.21_193.0846m/z 193.0846147 9.21 3388.0351 3271.1357 3290.7628 3378.4010 3384.0393 3355.6212 C11H14O4 "3-(2,5-Dimethoxyphenyl)propionic acid" "3-(2,5-dimethoxyphenyl)propanoicacid" HIGH 9.21_360.2734m/z 360.2733906 9.21 541.1822 685.8050 613.6760 651.3812 610.2067 633.5297 9.21_392.0492m/z 392.04918 9.21 2136.0852 2250.1543 2176.1929 2269.0268 2249.2583 2261.3741 9.21_398.0659m/z 398.0658763 9.21 3219.7672 3286.7840 3229.0262 3346.7715 3500.1755 3314.9714 9.21_589.2927m/z 589.2926955 9.21 1946.0311 1829.6344 1770.4830 1774.4778 1802.2275 1767.3698 9.22_430.3318m/z 430.3317769 9.22 574.8480 829.5134 942.1223 926.7548 857.1337 857.1793 9.23_490.2645m/z 490.2644501 9.23 7613.4656 9458.1395 7800.2664 8719.3484 7863.9756 8457.9594 9.24_173.0517m/z 173.0517278 9.24 1017.6258 971.4940 961.6003 1022.1152 992.1142 1025.9105 9.24_253.1410m/z 253.1410298 9.24 12046.0103 11414.6888 11439.5663 11365.8077 11440.5102 11875.6836 C15H19N5 Rizatriptan 48273 MEDIUM 9.24_549.2475m/z 549.2474993 9.24 2309.6230 2361.8521 2243.7833 2422.2055 2248.2172 2399.0432 9.24_595.2376m/z 595.2376053 9.24 7575.9837 7878.7071 7473.3847 7787.8511 7589.3569 7660.1269 9.25_207.0973m/z 207.0972596 9.25 6816.7654 6749.0840 6614.0357 6810.6215 6684.1373 6784.0763 C12H17NO3 Bufexamac HIGH 9.25_262.1569n 285.1827319 9.25 3057.8191 3218.5659 3063.7597 2931.2657 2966.0667 2911.4160 9.25_320.1954n 303.1921493 9.25 4351.3267 4640.0332 4481.3686 4454.0976 4519.1905 4492.1899 9.25_439.1692m/z 439.1692269 9.25 17143.7806 18754.0739 17421.9638 17733.2997 18008.1005 17880.2635 9.25_518.2137n 519.2210115 9.25 15818.8293 16900.4056 16257.6320 16469.4219 16471.2617 16635.8459 9.25_535.1958m/z 535.195792 9.25 2874.5288 2918.6105 2794.6187 2913.1839 2861.1252 2889.2304 9.25_581.1953m/z 581.1953299 9.25 5462.2128 5527.3422 5384.0975 5409.6118 5481.0834 5473.3835 9.26_111.0814m/z 111.0814044 9.26 95.0702 104.3965 95.6221 98.2998 92.8316 107.6521 9.26_139.1124m/z 139.1123743 9.26 250.2550 248.7344 236.8796 242.9653 254.3535 236.6058 C9H16O2 4-Hydroxynonenal 58968 MEDIUM 9.26_259.2151n 260.2218919 9.26 555.7233 658.4417 642.1295 525.1785 597.9702 675.7557 9.26_281.1337m/z 281.1337003 9.26 14094.5812 13591.7143 13973.6798 14021.3884 14006.2000 13994.0781 9.26_712.4162m/z 712.4161977 9.26 1062.2558 1446.2077 1223.4026 1353.6595 1400.7547 1407.2320 9.26_712.9185m/z 712.9185093 9.26 560.0535 830.4985 638.9483 717.1016 738.2866 767.0525 9.27_251.1921n 274.1440122 9.27 11528.3757 12658.2118 11846.7366 11650.0341 11928.1613 11894.1488 9.28_165.5549m/z 165.554882 9.28 203.6541 239.3323 205.9410 211.6874 199.6707 205.9966 9.28_173.5525n 174.5600589 9.28 320.3537 318.4965 333.5773 320.4068 270.9381 326.1932 9.28_188.0712m/z 188.07124 9.28 3097.3286 3168.4210 3184.3897 3130.8656 3109.5058 3073.9657 9.28_287.0888m/z 287.0887847 9.28 2219.2593 2209.2886 2225.3308 2231.1789 2276.3146 2226.8129 9.28_327.0556m/z 327.0556468 9.28 544.5301 602.7828 614.9617 541.4621 546.5764 582.4336 9.28_329.1731m/z 329.173069 9.28 8956.0750 9642.7199 9604.7002 9157.8459 9755.7017 9320.8856 9.28_345.2458m/z 345.2457656 9.28 166.0123 185.3080 155.0316 150.3877 162.9947 166.9740 C22H34O4 Diisoheptyl phthalate MEDIUM 9.28_376.0840m/z 376.0839583 9.28 3258.7241 3571.3580 3583.2957 3255.8489 3388.3491 3287.9054 9.28_479.2115m/z 479.2114814 9.28 4692.1841 4729.1454 4760.5866 4774.4710 4856.0077 4753.8885 9.28_527.2209m/z 527.2209219 9.28 34575.9485 36329.9570 33160.5867 37381.2351 33557.7569 35605.8343 9.28_589.1689m/z 589.1689161 9.28 3575.9371 3730.3962 3718.9699 3593.2509 3697.4520 3688.4138 9.28_591.3148m/z 591.3148167 9.28 12768.2113 14241.5293 13385.7895 13996.5652 13669.5144 13354.6256 9.29_149.1324m/z 149.1324171 9.29 99.8224 177.0852 137.9233 107.4323 78.5587 118.8293 9.30_159.0800m/z 159.0799853 9.30 1952.1576 1971.3999 1907.3773 1933.9713 1947.4641 1904.6093 9.30_411.1699m/z 411.1699076 9.30 28337.3038 27987.5399 27595.6708 28677.4249 27822.7544 28206.6906 9.30_450.1771m/z 450.1770921 9.30 4186.4951 4776.0687 4475.6184 4294.1172 4251.1014 4355.2639 9.31_333.1342m/z 333.1342116 9.31 5954.1406 6788.4614 6308.9716 6284.0740 6264.1702 6397.8844 C16H15F2N3Si Flusilazole MEDIUM 9.31_374.2531m/z 374.2531281 9.31 4852.7576 5405.5086 5016.3469 5068.2047 5214.7818 4996.0815 C24H38O4 Di(2-ethylhexyl)phthalate Bis(2-ethylhexyl)phthalate 17747 MEDIUM 9.31_398.2533m/z 398.2532715 9.31 3019.9041 3409.6268 3085.5140 3011.5269 3028.1564 3148.4211 9.31_416.3520m/z 416.3520238 9.31 2695.8586 3878.9163 3834.4929 4125.4664 3727.4532 3772.6510 9.31_428.7309m/z 428.7308783 9.31 142.7227 271.4173 188.4435 212.2160 146.6361 196.7318 9.31_467.0956m/z 467.0956441 9.31 1157.7130 947.5416 1117.0991 1055.2379 1145.3615 1085.3641 9.32_425.7352m/z 425.7352059 9.32 127.3873 226.5190 135.7135 174.4294 120.1777 121.8051 9.32_833.4702m/z 833.4702071 9.32 673.7238 1501.2404 926.0975 997.5254 689.7055 904.3047 9.33_253.5862m/z 253.5861958 9.33 29.6432 51.5019 45.7268 47.5447 44.5596 34.4425 9.33_292.1907m/z 292.1906757 9.33 5920.0071 6910.5741 6318.0403 6160.5186 6404.9804 6419.7735 9.33_332.2430m/z 332.2429775 9.33 4212.8400 5205.7476 4558.9405 4645.4722 4620.4015 4763.1061 9.33_467.1987n 468.2059867 9.33 48836.7565 48990.4614 48055.9828 49239.2479 48746.0680 48707.0104 9.33_512.2013m/z 512.2012946 9.33 12863.0768 12786.1059 12658.2207 13003.9357 12620.7691 12939.5482 9.33_592.3171n 593.3243427 9.33 15634.3329 17551.4661 16514.5615 16693.3045 16695.1283 16570.8285 9.33_595.3130m/z 595.3129739 9.33 2108.7901 2328.0247 2170.9297 2370.7042 2120.8803 2175.2355 9.34_199.1295m/z 199.1294594 9.34 563.0997 424.5507 497.9648 433.1277 475.2989 444.0700 9.35_164.0835m/z 164.0834938 9.35 159.9147 102.7716 145.6870 86.5093 123.6418 110.4175 9.35_432.3473m/z 432.3473127 9.35 2033.7231 2701.4055 2602.3567 2828.0844 2527.4663 2727.2881 9.35_453.2004n 454.2076661 9.35 30035.6221 33246.3423 31369.1746 31488.6833 31892.7972 31991.4985 9.35_492.1652m/z 492.1651968 9.35 3573.4703 3821.9286 3688.2714 3701.9232 3682.3228 3685.8829 9.35_86.0974m/z 86.09738655 9.35 110.5796 117.7849 121.2107 110.5731 121.8836 107.3425 9.36_386.2537m/z 386.2537233 9.36 5192.2032 6210.5166 5577.9042 5452.0632 5648.0898 5777.3751 C21H31N5O2 Buspirone Buspirone 3223 MEDIUM 9.36_878.4822m/z 878.482153 9.36 214.5210 411.4139 315.9777 356.8219 360.5942 447.0581 9.36_878.9866m/z 878.9866417 9.36 174.9837 264.0937 252.0250 243.2872 236.0632 211.3336 9.38_187.0688m/z 187.068822 9.38 1632.5945 1712.4214 1699.4572 1686.5897 1639.9368 1659.4677 9.38_267.1183m/z 267.1183251 9.38 36605.1850 35829.7899 36490.0899 36489.6292 36607.1563 37015.4380 9.38_363.1066m/z 363.1065996 9.38 1979.8376 2118.2387 2033.3855 2068.5448 2074.0530 2173.3812 9.38_379.0714m/z 379.0713871 9.38 422.5454 510.6264 437.4168 391.3757 471.5566 475.7116 9.39_175.1487m/z 175.1487204 9.39 578.6335 715.8615 644.7796 633.7539 635.4201 653.2093 9.39_183.0790m/z 183.0790477 9.39 5198.2709 4956.4678 5049.4019 5042.3583 5090.3918 5123.9779 9.40_271.8978m/z 271.8978162 9.40 312.5537 212.2945 240.1569 241.0810 242.6379 248.9773 9.40_79.0131m/z 79.01308576 9.40 170.9465 133.9475 151.1249 154.9891 147.0195 152.0925 H4N2O4 Hydroxylammonium nitrate MEDIUM 9.41_316.1941m/z 316.1941387 9.41 2934.7791 3252.4068 3057.8406 3013.5956 3030.1237 3078.3759 9.41_398.2540m/z 398.2539928 9.41 2331.0621 2613.7800 2377.4544 2291.2675 2386.9996 2354.4404 9.42_111.0814m/z 111.0813773 9.42 98.5647 76.4421 85.8247 81.6925 83.8173 84.9018 9.42_360.2727m/z 360.2726989 9.42 1260.8617 1303.8805 1319.1710 1317.3406 1223.1380 1270.1161 9.43_159.5621m/z 159.5620641 9.43 44.3327 47.0023 37.1877 46.0333 42.1636 52.0056 9.43_327.0560m/z 327.0560454 9.43 753.8577 744.0944 657.5062 706.7160 716.9455 714.3265 9.43_355.1105m/z 355.1105219 9.43 2233.3557 2269.3993 2381.5927 2309.0991 2599.9195 2477.4518 C19H15FN2O4 Flumioxazin Flumioxazin MEDIUM 9.43_365.1231m/z 365.1230757 9.43 5474.1770 5978.2666 5736.5239 5822.7068 5826.1742 5818.3205 9.43_375.0765n 398.0653244 9.43 11403.5708 11901.0107 11644.9855 12455.2024 13497.2266 13297.0430 9.43_381.0865m/z 381.0864538 9.43 1339.1210 1405.6027 1378.4326 1318.0496 1395.7850 1383.8337 9.43_397.0577m/z 397.0576767 9.43 206.7197 223.0609 194.5649 199.1300 237.9842 187.9909 9.43_407.1764m/z 407.1764156 9.43 9446.3371 9439.0571 9457.3925 9559.5198 9590.1408 9494.4862 9.43_409.0518n 392.0484953 9.43 5420.1709 5459.8682 5486.6155 5674.2930 6293.4423 6216.9045 9.43_452.0863m/z 452.086341 9.43 1653.7725 1868.1517 1873.2227 1848.4370 2054.0786 1979.7937 9.43_767.1263m/z 767.1263172 9.43 1055.9034 1327.1932 1183.0030 1250.8724 1461.9447 1374.7335 9.43_773.1584m/z 773.1583955 9.43 739.0089 872.3217 785.9111 833.7625 928.5500 865.2950 9.44_441.1086m/z 441.1086342 9.44 478.0937 533.5266 468.0543 487.5788 460.0720 535.2882 9.45_173.0440m/z 173.0440496 9.45 2259.4612 2022.4851 2106.5992 2058.1390 2083.4268 2102.6832 9.45_201.0557m/z 201.0556561 9.45 4160.9996 4659.8340 4299.2456 4056.0485 3766.4135 3874.7233 9.45_312.1168m/z 312.1167963 9.45 9214.3675 10273.8481 9449.6663 10140.5420 9508.0686 10026.2940 9.45_488.1516m/z 488.1516306 9.45 6126.1418 6704.6532 6556.8460 6300.1841 6491.0829 6450.1301 9.46_195.1385m/z 195.1384565 9.46 1146.4994 1307.6730 1159.1474 1167.5656 1196.4818 1150.5462 C12H18O2 Hexylresorcinol HIGH 9.46_336.2176m/z 336.2175714 9.46 31876.2403 37229.4291 34754.0082 34883.5504 35243.5178 35253.6262 9.46_411.1682m/z 411.1681993 9.46 45757.3845 46955.2692 46055.6086 47043.8222 46659.0204 47072.4954 9.46_443.1055m/z 443.1055383 9.46 804.6531 993.5202 889.7935 872.8299 935.9123 900.5460 9.47_111.0390m/z 111.0389719 9.47 343.1003 277.8976 289.1918 288.7547 309.7737 290.9601 9.47_161.0957m/z 161.0957094 9.47 7772.0774 7539.2136 7301.7075 7579.7028 7285.6544 7380.3363 9.47_234.0365m/z 234.0364762 9.47 524.5803 415.9595 517.6809 458.8823 453.6658 506.1582 9.47_317.6534m/z 317.6534342 9.47 39.2078 33.4660 45.3624 37.2330 28.9638 49.3368 9.47_344.2436m/z 344.2435815 9.47 8476.8866 9379.6489 8629.0746 8706.5632 8670.3077 8749.6394 9.47_479.2216m/z 479.2215604 9.47 7130.0137 7086.8110 7077.3307 7195.6350 7132.9636 7177.1136 9.47_595.3499m/z 595.3499153 9.47 12244.9342 14324.0377 13365.7959 13685.3437 13944.8738 13619.5789 9.47_95.0501m/z 95.05008301 9.47 102.0430 80.4510 96.0711 88.8065 105.4576 97.4714 C6H8O2 "(2E,4E)-2,4-Hexadienoic acid" 38358 MEDIUM 9.48_133.0647m/z 133.0646579 9.48 239.5468 231.6174 218.5609 237.1229 244.7619 224.2973 C9H8O Cinnamaldehyde Cinnamaldehyde HMDB03441 MEDIUM 9.48_206.0934n 207.1007013 9.48 10933.0308 10919.7081 10840.2893 10890.4689 10940.2148 10856.7736 9.48_243.1594m/z 243.1594412 9.48 5770.0013 6174.7914 6011.1620 6135.4322 6238.1008 6166.1105 C14H15N3 Cyprodinil MEDIUM 9.48_263.1563n 247.0943348 9.48 5636.5009 6243.4332 5894.1509 5913.8357 5942.0447 5958.6408 9.48_302.2336m/z 302.2335965 9.48 225787.0806 259592.3625 244438.6335 250259.5792 248524.7600 252174.3977 9.48_302.2857m/z 302.2856806 9.48 1677.5580 1831.2896 1908.6704 1570.2323 1764.6722 1664.8902 9.48_302.3756m/z 302.3756247 9.48 4545.7360 6011.1245 5109.6497 5140.0468 5197.5748 4752.4947 9.48_302.4204m/z 302.4203736 9.48 333.5075 550.9449 374.5255 273.1738 295.6397 167.9489 9.48_302.7054m/z 302.70539 9.48 217.8400 657.5505 325.0107 304.2759 318.0368 288.9939 9.49_121.0635m/z 121.0635322 9.49 684.3748 638.5514 644.9813 658.5742 642.4213 638.4703 C8H10O2 2-Phenoxyethanol 64275 MEDIUM 9.49_263.0886m/z 263.0886496 9.49 3725.6653 3928.2267 3928.6167 3960.0173 3898.4867 3986.0788 C12H16O5 3-Carboxy-4-methyl-5-propyl-2-furan-propanoic acid 3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid 41254 MEDIUM 9.49_279.0556m/z 279.0556402 9.49 1346.1526 1257.0275 1263.5516 1308.3057 1363.5797 1354.6755 9.50_297.1651m/z 297.1651122 9.50 5324.1880 5638.7978 5388.4615 5379.6667 5438.0478 5453.2255 9.50_356.2439m/z 356.2438975 9.50 23614.6862 27214.0603 24744.0264 25454.8614 25505.0981 25198.0716 9.51_165.1276m/z 165.1276222 9.51 93.5038 105.8688 101.9204 96.9304 96.7394 90.3156 9.51_241.0793m/z 241.0792518 9.51 11814.2800 11361.7505 11502.1554 11489.4391 11458.0408 11527.6477 9.51_781.2364m/z 781.2364162 9.51 2084.6095 3003.6485 2359.8256 2489.6783 2676.4188 2451.4189 9.52_271.2058m/z 271.2058224 9.52 182.6722 233.0246 190.5922 184.3534 200.6362 194.9328 C19H28O2 Testosterone Testosterone 17347 HIGH 9.52_365.1232m/z 365.1232239 9.52 8116.4970 8735.5718 8485.4128 8578.3911 8547.4291 8588.8237 9.52_381.0868m/z 381.0868388 9.52 2080.8004 2062.5027 2059.1038 1929.4526 2037.1051 1929.6125 9.52_396.0527m/z 396.05274 9.52 608.1141 639.6074 598.4526 682.4679 612.0694 573.7884 9.52_533.2398m/z 533.2398224 9.52 8251.9917 8881.3292 7987.0343 8994.5694 8070.3915 8615.2520 9.54_229.0861m/z 229.086073 9.54 1509.0889 1525.1264 1476.7126 1478.4280 1513.1777 1502.2596 9.54_461.2021m/z 461.2021306 9.54 5945.8281 6131.8790 5995.2875 6130.8295 6136.7783 6190.4967 9.54_595.2438m/z 595.243757 9.54 6318.5557 5911.4487 7258.8964 5472.2721 7522.7542 5946.4694 9.55_337.0520m/z 337.0519659 9.55 266.6859 283.8332 337.9707 217.7237 365.1630 297.9005 9.55_363.2109m/z 363.210903 9.55 3144.6517 3231.6719 3213.7518 3192.8222 3270.4818 3286.8212 9.55_372.2740m/z 372.2740142 9.55 1966.2774 2308.8573 2254.6717 2326.8195 2085.3073 2271.9621 9.55_484.0989n 502.1443542 9.55 2191.6565 2248.4993 2194.4063 2242.1588 2246.6418 2159.9396 9.56_203.0716m/z 203.0715554 9.56 2449.0070 2651.1716 2508.8861 2484.6767 2430.8974 2491.6320 9.56_213.0922m/z 213.0922168 9.56 3684.7697 3707.2766 3644.8579 3621.1535 3713.6363 3676.5312 C14H12O2 Benzoin Benzoin 17682 MEDIUM 9.56_250.1189n 273.1039431 9.56 9587.5268 9832.0199 9611.3307 9634.0797 9905.5193 9994.8044 9.56_288.1600m/z 288.1600294 9.56 6841.0849 8177.4681 7287.5533 7683.9462 7646.8672 7853.6469 C17H21NO3 Galantamine 5264 MEDIUM 9.56_437.1986m/z 437.1986356 9.56 4767.7940 4644.9869 4665.0782 4646.5084 4728.4834 4745.6337 9.56_485.1679n 486.1751959 9.56 15044.4535 15902.8164 15425.7524 15243.3945 15422.3909 15303.0060 9.56_548.1591m/z 548.1591118 9.56 1216.1326 1226.8253 1314.9139 1210.7980 1234.8949 1291.9930 9.56_873.2564n 857.2532593 9.56 244.5236 776.3951 381.3916 416.0705 539.3605 326.9074 9.57_269.1892m/z 269.1892005 9.57 503.4510 583.6024 488.1071 548.2130 502.5770 557.9768 C19H27NO Pentazocine 116117 MEDIUM 9.57_326.1704n 327.1432426 9.57 49573.9008 46369.8608 47628.5244 48359.8564 48186.4627 48303.0475 9.57_423.1156m/z 423.1156141 9.57 2357.8449 2564.2050 2561.6795 2344.6543 2432.9693 2559.9941 9.57_446.1589n 464.1926948 9.57 57386.1715 68669.9237 62309.1553 59237.5080 56377.9364 58396.5712 9.57_857.7345m/z 857.7344518 9.57 665.5650 982.4239 763.8275 835.6442 898.6685 890.1390 9.57_858.0693m/z 858.0692888 9.57 696.5126 913.6915 863.1782 737.8939 781.8636 845.9708 9.57_863.2511n 886.2807749 9.57 1151.6910 2404.5091 1527.3533 1564.0724 1403.5028 1182.1801 9.57_865.7291m/z 865.7291418 9.57 191.1578 260.7733 259.1354 163.0647 244.8310 292.8649 9.57_868.3097n 869.3170006 9.57 1610.4523 2611.3009 1849.4137 1791.6125 1916.3469 1568.8881 9.57_874.4256n 897.2858515 9.57 1063.7451 2047.1102 1274.4800 1314.2664 1496.1955 1366.5563 9.57_890.3049n 873.3016517 9.57 1242.6287 3041.6698 1826.5979 1830.5732 2066.9114 1938.1529 9.57_891.2881n 892.2953597 9.57 969.1953 2205.4019 1277.2250 1451.7837 1372.8021 1340.0034 9.57_905.2684m/z 905.2684242 9.57 349.9990 851.2421 429.7817 309.2963 511.9515 357.1472 9.57_965.3091n 949.3206437 9.57 96.8713 645.0106 364.6207 351.4508 362.1169 315.9563 9.58_146.0643m/z 146.0643205 9.58 277.4779 267.8239 256.4688 206.4379 261.8574 271.0018 9.58_153.1282m/z 153.1282115 9.58 168.0672 199.1580 181.4836 178.1525 200.0839 184.0500 9.58_179.1446m/z 179.1446473 9.58 73.0281 82.0573 77.7833 74.5511 73.2778 80.0333 9.58_189.1643m/z 189.1643107 9.58 94.8529 106.2083 110.4154 92.1377 114.4420 105.6254 9.58_235.1696m/z 235.1695691 9.58 925.6594 934.4622 866.3739 862.1571 851.5852 883.9965 9.58_307.1168m/z 307.1168137 9.58 4355.0576 4809.7162 4793.4651 4574.7072 4791.2760 4805.7751 9.58_323.0815m/z 323.081507 9.58 1029.8076 1034.3073 996.8892 1008.7875 1055.5714 980.8151 C15H18FN3O3S Benthiavalicarb MEDIUM 9.58_331.2363n 314.2329724 9.58 41932.2223 48904.5165 45168.5542 45376.7252 45601.2260 46512.7477 9.58_402.2844m/z 402.2844378 9.58 1012.8149 1179.4972 1049.6909 1067.3642 997.1254 1111.3134 9.58_469.2061m/z 469.2061363 9.58 14522.0443 16204.7669 15037.4496 14966.5888 14965.4161 15161.0912 9.58_500.1581m/z 500.1580749 9.58 3737.2896 3820.0519 3678.1232 3757.1144 3672.4683 3701.2557 9.58_870.7188m/z 870.7188115 9.58 216.2918 265.0709 274.7641 304.6368 266.4047 269.5646 9.58_877.2929m/z 877.2929348 9.58 570.9342 1204.6351 871.4275 864.0022 845.2439 728.6865 9.59_321.1660m/z 321.1660114 9.59 22534.0812 21740.4167 21771.0263 22110.2922 21850.9594 22057.9255 9.59_493.1795m/z 493.179457 9.59 15313.8711 15057.0560 14970.0646 15410.2975 15204.0611 15128.8094 9.59_494.1805n 477.1771623 9.59 10749.1947 12062.9438 11093.4369 11272.8403 11150.9804 11353.4348 9.61_954.7672m/z 954.7671812 9.61 79.9026 163.5325 97.9266 48.5300 117.5249 92.2114 9.61_955.4345m/z 955.4344833 9.61 85.0619 139.4149 58.6611 55.2368 110.8667 87.7113 9.62_201.0528m/z 201.0528334 9.62 13664.6478 13067.4015 13155.6708 13761.1594 14014.5028 14075.4332 9.63_149.9551m/z 149.9550526 9.63 773.8855 490.6093 704.6113 633.6757 614.6611 650.3136 9.63_389.1803m/z 389.1802722 9.63 3825.9563 4239.1996 3884.2825 4028.0971 3865.4121 3996.4997 9.65_271.8979m/z 271.8978819 9.65 414.9633 279.7379 357.0240 335.3837 314.9648 321.3763 9.65_297.1650m/z 297.164959 9.65 7067.5807 7245.9440 7181.3869 7046.0198 7271.7623 7252.8817 9.65_305.2116m/z 305.2116099 9.65 2262.3846 2645.7699 2406.8049 2372.4862 2381.8615 2504.8700 9.65_312.2178m/z 312.2177652 9.65 26984.8535 32197.2897 29666.0251 29642.3912 30293.6966 30090.9656 C17H26O4 6-Gingerol MEDIUM 9.65_481.2327m/z 481.2327356 9.65 5991.8350 5955.8078 5849.6318 6105.8417 5890.5821 5913.7608 9.65_503.2106m/z 503.2106473 9.65 13429.5743 13424.5197 13213.4291 13549.2823 13271.1849 13483.5765 9.65_827.9613m/z 827.9612646 9.65 348.9066 554.4302 474.7651 458.0248 513.7876 489.6540 9.65_828.4615m/z 828.4615383 9.65 201.1851 397.0285 286.1947 321.2298 303.1845 318.4883 9.66_243.0944m/z 243.0943727 9.66 8209.8723 8126.6562 8154.7707 8011.0549 8171.2916 8189.5963 9.66_348.2119m/z 348.2119467 9.66 2765.4411 2849.0197 2633.6189 2761.5627 2658.7113 2778.0769 9.66_473.2116m/z 473.2116107 9.66 6263.0749 6492.5104 6198.9374 6352.7152 6338.3371 6372.6325 9.66_501.2275m/z 501.2275088 9.66 4772.6469 5099.8176 4823.1941 4984.8287 4810.1507 4948.9224 9.67_165.0671m/z 165.0671228 9.67 933.4529 979.2695 1000.5974 963.5958 1002.0322 981.3645 C11H10 1-Methylnaphthalene 50717 MEDIUM 9.67_243.1589m/z 243.1588967 9.67 2515.0974 2777.4268 2686.2864 2528.9248 2633.3769 2547.5095 C14H15N3 Cyprodinil MEDIUM 9.67_251.1259m/z 251.1259372 9.67 3764.3646 3862.7963 3827.7059 3871.6986 3837.6066 3985.6217 C14H21NO4 Diethofencarb 4520 MEDIUM 9.67_302.2334m/z 302.2333791 9.67 81917.6469 96263.5507 90871.6727 89441.8104 92494.8254 91400.2867 9.67_302.3751m/z 302.3751227 9.67 191.9607 535.4354 259.8762 251.4815 257.9207 169.5558 9.67_398.2515m/z 398.2514731 9.67 2678.2740 3085.6302 2703.9367 2730.5796 2690.8579 2682.4392 9.68_165.1282m/z 165.1282449 9.68 142.9699 143.8930 144.9048 142.1271 149.5852 142.7040 9.68_167.0858m/z 167.0857536 9.68 2961.0988 2948.2485 2970.2362 2945.4433 2972.2021 2950.7164 C13H10 Fluorene Fluorene 28266 MEDIUM 9.68_269.1259m/z 269.1259411 9.68 8893.5122 8695.8110 8839.4554 8906.9024 8842.1622 8963.1070 C11H16N4O4 Pentostatin Pentostatin MEDIUM 9.68_281.1355m/z 281.135492 9.68 12126.3244 9665.4165 9523.8675 10825.3435 9381.2428 10378.3802 C15H22O6 Toxin T2 tetrol MEDIUM 9.68_284.1054n 285.1126731 9.68 19944.1385 20477.3754 20011.4337 20345.1053 20186.3792 20725.2044 9.68_323.0812m/z 323.0812039 9.68 2054.7260 2136.9002 2083.5650 2045.2794 2028.4625 2026.2077 C15H18FN3O3S Benthiavalicarb MEDIUM 9.68_414.3365m/z 414.3364636 9.68 173.8471 231.6859 238.0979 219.5767 234.6981 198.1042 9.68_899.7238n 917.7575877 9.68 450.5245 551.8990 457.5419 459.3034 583.7654 483.6345 9.69_344.2429m/z 344.2429093 9.69 4186.2520 4668.1876 4377.5857 4349.7046 4353.4554 4415.3773 9.69_79.0127m/z 79.01268982 9.69 142.0366 120.7165 132.3963 140.6139 123.9392 138.3339 9.69_909.7632m/z 909.7632409 9.69 749.3376 1129.3734 886.7477 1026.2520 954.1414 966.1933 9.69_910.0999m/z 910.0999141 9.69 815.7153 1164.3259 988.8970 1101.4634 964.0684 1015.3704 9.69_922.4120m/z 922.4120145 9.69 163.3487 117.2263 32.0134 88.9186 166.0927 155.1881 9.70_262.1429m/z 262.1428699 9.70 4013.5834 4140.9848 4014.9873 4223.0577 4081.6551 4231.6503 9.70_460.1652m/z 460.1651673 9.70 2383.2437 2637.4588 2445.9532 2472.0395 2416.7342 2485.6152 C27H25F2N3OS Ritanserin HIGH 9.71_360.2741m/z 360.2740702 9.71 1180.1369 1514.9394 1322.0612 1336.0428 1366.4973 1343.4659 9.72_151.9498m/z 151.9498088 9.72 1213.2232 930.3566 1073.8661 1119.1003 1025.3003 1102.6679 9.72_521.2338m/z 521.2338357 9.72 4402.0226 4735.0230 4411.7748 4785.2910 4409.8605 4562.7695 9.72_755.9338m/z 755.9337767 9.72 295.3461 547.8376 354.3516 443.6034 478.9535 457.2869 9.72_756.4340m/z 756.4340133 9.72 212.3434 369.5220 275.9299 276.4135 328.5136 303.2328 9.74_201.1285m/z 201.1285126 9.74 255.8433 305.1469 245.0317 267.5354 289.7648 256.4326 9.74_403.0829m/z 403.082852 9.74 642.6208 730.1704 712.6428 702.0590 676.7999 682.2296 9.75_236.0772n 219.1022229 9.75 139949.9712 143156.9546 141836.1124 143919.3061 143356.7589 144907.4830 9.75_400.2684m/z 400.2683661 9.75 5700.6850 6974.5765 6166.6674 5977.3179 6282.4151 6291.1644 9.75_412.5862m/z 412.5862221 9.75 196.2853 135.4388 152.3577 144.0578 119.3811 139.6295 9.75_424.5725m/z 424.5725087 9.75 200.3085 77.3880 153.1176 141.9829 94.5114 134.4065 9.75_633.2140m/z 633.2139756 9.75 8170.6378 8102.0021 8044.2757 8053.5141 8013.8111 8170.8337 9.76_274.0523n 275.0596257 9.76 76822.2939 67370.1539 72849.1538 73002.0117 73726.4710 74425.1533 9.76_275.5605m/z 275.5605498 9.76 246.6294 204.5655 223.9144 234.9316 248.3154 237.0881 9.76_299.0261m/z 299.0261058 9.76 11294.7005 10096.6272 10828.9658 11078.1380 11091.7441 11017.8757 9.76_301.0232m/z 301.0232308 9.76 6824.6604 6012.8892 6417.6023 6634.2603 6375.3765 6615.9875 9.76_386.6207m/z 386.620671 9.76 65.7163 57.4124 43.2006 58.1180 54.8278 58.1724 9.76_393.6124m/z 393.612435 9.76 225.0875 209.7458 200.6964 211.0411 213.4237 205.1011 9.76_420.5751m/z 420.5751173 9.76 125.7626 98.6048 111.0873 113.4586 82.8408 115.5992 9.76_533.6411m/z 533.6411134 9.76 57.2106 47.3748 51.9068 56.1715 89.8919 27.4344 9.76_537.6219m/z 537.6218615 9.76 194.2674 155.8213 162.1599 214.0861 204.0823 215.8483 9.76_547.2396m/z 547.2396044 9.76 4891.0918 5036.0864 4752.5793 5114.9715 4709.5379 4959.1658 9.76_549.6116m/z 549.6116081 9.76 188.1461 103.2148 108.2097 164.2077 116.0448 126.6524 9.76_554.1247n 537.1295236 9.76 20035.8028 19468.5010 19871.3724 20005.1290 20161.6526 20235.9037 9.76_561.1475m/z 561.1475106 9.76 3335.4245 2800.0880 3184.8617 3134.0986 3205.9815 3230.7741 9.76_591.0996n 609.1214254 9.76 4295.4910 3784.6013 4403.5435 4071.6354 4447.9219 4244.0973 9.76_814.2390n 815.2084878 9.76 28278.5311 27324.3687 27410.4952 27727.7595 27385.2878 27570.1541 9.76_873.1950m/z 873.195036 9.76 2028.9763 2101.3769 1975.3907 2064.2366 1985.1282 2021.4678 9.76_914.2298m/z 914.2297537 9.76 4081.0413 4906.8445 4328.5878 4511.7556 4383.4328 4464.4856 9.76_932.2408m/z 932.2408407 9.76 8596.7306 9971.7438 9161.5830 8956.0288 9222.7117 9027.6865 9.76_939.2615m/z 939.2615164 9.76 12139.3493 14015.9128 12898.4286 12939.3767 12888.4735 12751.4993 9.76_955.2422m/z 955.2422217 9.76 6497.1423 7580.4734 6782.0534 6805.6905 6914.8176 6911.5534 9.77_130.0422n 153.0697553 9.77 2341.3577 2546.1470 2389.8228 2475.6173 2339.0539 2469.6420 9.77_143.0858m/z 143.0857961 9.77 2082.0655 2173.7984 2030.5895 2143.4230 2074.3787 2123.7375 C11H10 2-Methylnaphthalene 50720 MEDIUM 9.77_145.1023m/z 145.1022959 9.77 34640.6973 35858.1893 35325.2882 35860.3321 35827.1417 36398.7059 9.77_147.1159m/z 147.1159107 9.77 763.5213 731.2810 719.0655 746.7951 709.0313 728.0011 9.77_155.0857m/z 155.0856746 9.77 4632.4376 4694.3909 4556.0263 4615.6511 4631.8610 4735.4893 C12H10 Biphenyl 17097 MEDIUM 9.77_158.0776m/z 158.0775668 9.77 4488.7885 4761.0536 4197.6307 4740.9476 4218.3248 4567.4663 9.77_190.1001n 191.1074493 9.77 59358.4959 60699.4786 59923.2432 60942.0382 60586.0554 61791.1127 9.77_201.0917m/z 201.09173 9.77 322.8881 421.0497 365.3600 298.9675 342.7246 337.7128 C13H12O2 Bisphenol F 620-92-8 HIGH 9.77_228.0477n 229.0550251 9.77 2313.6550 2098.5678 2142.8635 2115.6177 2126.0402 2152.0784 9.77_233.1168m/z 233.1168283 9.77 4495.9525 4529.2609 4518.4773 4477.9315 4413.6551 4639.0868 9.77_236.2260n 259.226266 9.77 14018.3178 13409.4542 13975.2919 13237.1773 14413.8100 13409.0113 9.77_236.2659n 259.2688118 9.77 3570.0534 3210.5607 3259.0099 3015.3979 3156.6690 3074.6622 9.77_256.5872m/z 256.5872119 9.77 668.6288 632.3325 645.9734 670.6318 631.9824 625.2810 9.77_259.0957m/z 259.0956635 9.77 393850.5238 382886.8721 397875.6601 402632.2882 409115.0767 415236.5614 C13H16O4 Mono-n-pentyl phthalate 24539-56-8 MEDIUM 9.77_259.3145m/z 259.3145076 9.77 2911.0764 2380.3346 3032.4959 2305.0942 2834.7643 2705.6711 9.77_259.5346m/z 259.5346298 9.77 3092.2851 2968.2743 3080.1962 3002.5022 3148.7993 3203.0484 9.77_272.0212n 295.0280794 9.77 1627.0822 1500.8574 1578.0472 1538.8034 1551.9642 1611.5029 9.77_279.0578m/z 279.0577942 9.77 3827.8452 3376.4954 3654.2597 3378.7376 3680.1956 3548.5628 9.77_280.0405n 281.0769394 9.77 17587.0887 15431.9002 16282.5569 16878.0133 17093.3957 16891.5951 9.77_314.0019n 332.0356962 9.77 2634.2984 2436.2060 2535.8259 2560.6215 2520.3871 2497.8762 9.77_338.9984m/z 338.9983509 9.77 212.4955 187.1658 204.1397 182.1722 208.4134 218.8354 9.77_400.5937m/z 400.5936622 9.77 301.1201 248.0531 281.3572 293.5709 277.1388 273.5278 9.77_407.1649m/z 407.1648607 9.77 8883.5107 9213.0861 8962.0655 9365.8836 9283.1398 9240.7229 9.77_438.1497m/z 438.149661 9.77 22335.5799 22700.2180 22469.9310 22272.5946 22874.8413 23145.6848 C20H22N8O5 Methotrexate Methotrexate 6837 MEDIUM 9.77_451.1822m/z 451.1822408 9.77 8026.8935 7832.5779 7619.5622 7968.8432 7650.4304 8031.4574 9.77_471.1816m/z 471.1815945 9.77 6795.8695 6673.3314 6546.7731 6728.8487 6520.8386 6784.2220 9.77_479.1732m/z 479.1731994 9.77 5770.5766 5790.3409 5757.9446 5765.7066 5792.3491 5903.5510 9.77_482.1395m/z 482.1394874 9.77 8498.6163 9274.0611 9066.2293 9026.9959 9437.4232 9141.9142 9.77_494.1793n 495.1865793 9.77 63857.0718 62140.7248 63659.5313 63555.1561 64226.7980 64623.6365 9.77_511.3503m/z 511.3503353 9.77 2988.6898 3339.0975 3269.5191 3037.4999 3245.6510 3007.3472 9.77_526.1296n 527.1368905 9.77 18162.6863 18321.6475 17955.2530 18296.6345 18252.1729 18455.2047 9.77_528.1675n 511.1642229 9.77 212464.1008 214926.0431 216185.2643 217497.2625 221402.3585 223058.5895 9.77_550.1483n 533.1450266 9.77 10535.6649 9574.9844 10453.1718 10411.4557 10372.2531 10367.1114 9.77_552.1350n 535.1317032 9.77 30555.8674 30889.1768 30898.8066 31075.6480 31309.0634 31652.8061 9.77_556.1385n 539.1351773 9.77 20359.7771 19955.2298 20234.0305 20388.5533 20593.4654 20601.5732 9.77_557.1181m/z 557.1180505 9.77 1878.1889 1592.4165 1769.3610 1738.0958 1763.4980 1727.9828 9.77_582.0908n 565.087516 9.77 5079.1381 3994.3047 4767.8262 4919.4166 4917.2190 4671.8822 9.77_752.2568n 775.2552866 9.77 6442.9386 6141.5038 6279.1016 6288.9335 6271.4186 6249.6133 9.77_755.2625m/z 755.262541 9.77 7792.5854 7319.9634 7714.0277 7586.4202 7670.2568 7653.1675 9.77_761.2262n 784.2144894 9.77 24586.7335 23161.6355 23905.6498 23748.6174 23888.5642 23961.8012 9.77_764.2650n 765.2390362 9.77 9983.5497 10169.5645 9995.0351 9995.1178 10006.2146 9957.6598 9.77_786.2514n 769.2481401 9.77 18369.6308 17145.9503 17694.3303 17841.0645 17552.0371 17765.8617 9.77_794.2506n 777.2472882 9.77 18682.3761 17968.4635 17992.2214 18092.6183 17927.5791 18359.0747 9.77_800.1857m/z 800.1856888 9.77 11014.7222 10226.5882 10690.5766 10812.9524 10863.3304 10808.6367 9.77_808.2373n 791.2339628 9.77 27404.8288 25658.8689 26182.6983 26043.7633 26113.3585 26311.5527 9.77_823.2030n 806.1997508 9.77 20194.7152 18252.7925 19387.1735 19121.2889 19471.0901 19403.0533 9.77_833.1889m/z 833.1888642 9.77 4433.3849 4717.5024 4493.0818 4613.0530 4500.5091 4645.0383 9.77_844.2074m/z 844.2073714 9.77 11876.7722 13215.3528 12123.9203 12280.9090 12032.0496 12365.8878 9.77_870.2419m/z 870.2419025 9.77 3883.4856 4060.3710 3714.4273 3968.3813 3765.7436 3859.4672 9.77_875.1921m/z 875.1920693 9.77 4357.0313 4428.2648 4098.5486 4334.7227 4180.4858 4236.0980 9.77_917.2750m/z 917.274977 9.77 13576.2364 15708.4290 14497.9406 14365.9107 14678.4063 14570.4957 9.78_103.0546m/z 103.0546253 9.78 246.0130 240.3285 230.9366 255.6196 232.6264 234.4299 9.78_107.0497m/z 107.0497213 9.78 4181.7002 4420.3942 4405.6136 4439.7393 4345.5004 4380.4911 C7H8O2 Guaiacol 28591 HIGH 9.78_115.0549m/z 115.0548882 9.78 6231.7265 6636.2295 6337.7845 6444.0056 6308.2560 6416.3773 C9H8O Cinnamaldehyde Cinnamaldehyde HMDB03441 HIGH 9.78_119.0862m/z 119.0862158 9.78 3088.4571 3172.4956 3113.9546 3160.9958 3124.8193 3168.7323 C9H12O 2-Isopropylphenol 38506 HIGH 9.78_128.0627m/z 128.062695 9.78 6118.7667 6535.9432 6188.2916 6301.7344 6284.1441 6299.0280 9.78_134.0741n 117.0708412 9.78 13969.5843 14615.3448 14306.2400 14574.8048 14412.8196 14678.6242 9.78_144.0579m/z 144.0579107 9.78 5771.0035 6671.7352 6435.7849 6400.6134 6536.5513 6356.9377 9.78_245.0257m/z 245.0257341 9.78 2457.1815 2271.0694 2350.4244 2287.1060 2376.1334 2400.9210 9.78_248.0501m/z 248.0501245 9.78 5736.5795 5410.3312 5617.6782 5737.5167 5655.1752 5810.5874 9.78_269.1892m/z 269.1891557 9.78 932.9426 954.9652 858.9039 952.5551 881.5217 912.9736 C19H26O2 Androstenedione Androstenedione 16422 MEDIUM 9.78_283.5475m/z 283.5475216 9.78 76.2376 72.8504 50.5779 76.8396 73.6615 86.3182 9.78_291.0319m/z 291.0319058 9.78 12581.2266 11345.4731 12059.8369 11861.4880 12067.0610 12165.7580 9.78_338.1510m/z 338.1509988 9.78 6180.2716 6150.4124 6249.7064 6334.6987 6269.1134 6282.5669 9.78_514.1828n 497.1795194 9.78 104886.4703 105277.0935 105576.2524 106773.9549 106816.2155 107896.1737 9.78_619.0767m/z 619.0766761 9.78 1111.8167 769.9069 954.7852 984.2514 965.0774 1027.2098 9.78_665.2376m/z 665.2376291 9.78 3879.9715 4234.7049 3721.8334 4192.6366 3798.4488 4006.3934 9.78_813.2031m/z 813.2030539 9.78 5952.7137 5801.6710 5791.1495 5824.9547 5846.5735 5862.6953 9.78_890.1986m/z 890.1985907 9.78 1314.4479 1422.0676 1217.0752 1440.9428 1160.6318 1310.0491 9.78_894.2974n 895.2947709 9.78 12039.2835 13311.0940 12289.7881 12075.7712 12548.6981 12359.1999 9.78_901.2911m/z 901.2910809 9.78 3435.0737 4055.5118 3742.3730 3619.4369 3630.0371 3680.3165 9.78_903.2827m/z 903.2827304 9.78 13590.2956 14882.5836 13969.2323 13934.9322 13916.6419 13892.3903 9.78_91.0550m/z 91.05496635 9.78 1576.6935 1608.5802 1594.9413 1620.1805 1587.4772 1597.3055 C7H8O p-Cresol P-Cresol 17847 MEDIUM 9.79_105.0705m/z 105.0705368 9.79 858.4987 913.5881 837.6400 910.6199 813.7843 850.3012 C8H10O "3,4-Dimethylphenol" 39839 MEDIUM 9.79_133.0602m/z 133.0601607 9.79 283.8045 262.4663 264.2727 260.9943 272.6725 257.7284 C4H8N2O3 L-Asparagine Asparagine 17196 MEDIUM 9.79_163.0763m/z 163.0763454 9.79 34254.9827 34948.8055 34891.0913 35304.3439 34876.5233 35117.9001 C10H12O3 3-Methoxybenzenepropanoic acid 3-Methoxybenzenepropanoic acid HMDB11751 HIGH 9.79_205.1230m/z 205.1230126 9.79 35758.4574 35774.9265 36141.1364 36682.3903 36338.2337 36469.0188 9.79_405.5934m/z 405.5934272 9.79 149.1275 81.0176 110.4428 95.1770 132.1144 124.0572 9.79_416.3508m/z 416.3508412 9.79 71.9937 130.1532 140.5718 150.8410 114.5501 85.9141 9.79_523.1479m/z 523.1478622 9.79 4157.3599 3958.9743 4146.4690 4110.9320 4114.8458 4215.5781 9.79_881.2803m/z 881.2803021 9.79 10742.4318 11151.1691 10661.7015 10497.8632 10517.0465 10749.3682 9.79_943.2185n 966.2568628 9.79 19150.0134 23127.6612 20367.1412 20667.0427 20993.6710 20687.3690 9.80_131.0858m/z 131.0857604 9.80 2040.8205 2035.1357 2086.1112 2080.1771 2050.8179 2092.2893 C10H12O Cuminaldehyde Cuminaldehyde HMDB02214 MEDIUM 9.80_164.0841n 147.0808325 9.80 3133.5988 3151.7453 3063.4967 3179.7206 3094.6715 3116.3753 C10H12O2 3-Phenylbutyric acid 3-Phenylbutyric acid HMDB01955 MEDIUM 9.80_176.1208n 159.1174893 9.80 23255.1744 23648.1215 23230.9806 23851.0169 23369.7655 23762.4138 9.80_191.0166n 174.0132955 9.80 4879.9515 4137.1541 4422.9214 4310.5649 4469.6094 4422.5754 9.80_220.0184m/z 220.0183891 9.80 1230.6972 1018.3428 1164.2334 1029.5047 1102.5294 1131.5165 9.80_275.1651n 259.1425548 9.80 2827.6700 3033.8307 3147.5729 3135.3928 3096.9373 3269.5650 9.80_287.0440m/z 287.0439696 9.80 1128.1608 1060.1269 1046.1900 1074.5106 1038.1032 1127.3954 9.80_289.0403m/z 289.040304 9.80 2108.4655 1650.3271 1945.6811 1734.9579 1892.4564 1792.3207 9.80_313.0482m/z 313.0481682 9.80 1723.6047 1505.7605 1720.2622 1588.0811 1732.4822 1566.5992 9.80_315.0394m/z 315.0394366 9.80 467.3965 405.6185 440.1436 443.4402 439.3312 451.7855 9.80_319.1140m/z 319.1139584 9.80 1132.2335 1025.4835 1178.9756 1165.5466 1226.7892 1172.8550 9.80_371.1681m/z 371.1681377 9.80 4809.4239 5494.6419 4947.6689 5176.7545 4936.0032 5162.9453 C19H25N5O4 Terazosin Terazosin 9445 MEDIUM 9.80_454.1086m/z 454.1085509 9.80 839.2712 825.5451 851.5879 804.5740 899.0900 880.0235 9.80_483.2059m/z 483.2058578 9.80 13109.0264 12748.6341 12905.5220 13035.2154 13044.0820 13073.0537 C27H32O9 Verrucarin B MEDIUM 9.80_485.1950m/z 485.1950464 9.80 20506.1067 21208.4291 20759.7096 21414.0391 22332.3063 22215.1372 9.80_493.1972m/z 493.1972164 9.80 9937.7673 9781.0101 10098.9475 9877.2704 10044.5208 9899.9087 9.80_498.2126n 481.2092929 9.80 17310.5787 14912.3909 15824.4996 15419.9050 15676.0609 15504.6848 9.80_530.6298m/z 530.6298367 9.80 162.0777 122.1216 168.8011 140.0004 133.5457 164.9330 9.80_543.2174m/z 543.2174421 9.80 27003.1391 26524.6407 26457.2388 26827.9833 26541.4205 26549.7769 9.80_609.2516m/z 609.2516168 9.80 3118.2964 2863.8036 3144.9621 2925.5973 3147.1037 2931.5843 9.80_622.1026n 623.2388712 9.80 4271.6336 4144.0048 4169.8346 4134.3019 4247.7331 4230.7921 9.80_705.3115m/z 705.3115151 9.80 1553.3789 1626.5645 1576.9468 1522.0601 1587.1138 1575.0811 9.80_729.2381m/z 729.2380565 9.80 5206.3561 5610.6975 5338.7389 5441.0946 5316.5559 5413.1520 9.80_734.2386m/z 734.2386388 9.80 6170.9395 6624.8141 6349.5784 6262.0865 6308.7670 6166.7533 9.80_741.2631m/z 741.2631395 9.80 3620.6337 3489.1089 3602.2643 3641.0959 3630.7139 3582.5518 9.80_890.2303m/z 890.2303134 9.80 6131.6543 7153.1608 6705.0024 6494.7051 6665.8580 6455.7642 9.80_974.2475m/z 974.2474756 9.80 2707.6333 3374.7233 2737.0631 3100.8031 2944.5245 2872.1415 9.81_172.0168m/z 172.0168159 9.81 152.1319 95.0262 115.6790 79.2962 121.6938 105.7533 9.81_222.1257n 245.1150319 9.81 91410.2466 83429.0257 88848.1388 90158.9555 90335.0818 91435.6620 9.81_245.1605m/z 245.1605294 9.81 786.0595 688.8678 664.5040 591.7000 566.9347 613.5605 9.81_281.1150m/z 281.1150402 9.81 5402.3714 4354.6475 5895.5980 4371.9777 5956.0096 4928.9846 9.81_285.0474m/z 285.0473659 9.81 1605.3770 1455.2274 1518.2378 1593.3928 1541.4570 1551.9856 9.81_288.1593m/z 288.1592785 9.81 11678.0511 13948.4187 12618.9065 13981.1189 15351.1854 15033.4819 C17H21NO3 Galantamine 5264 HIGH 9.81_291.1186m/z 291.1186313 9.81 6444.3696 6787.2408 6473.1226 6701.0273 6643.5524 6666.4233 9.81_307.0873m/z 307.0873328 9.81 24574.5952 21683.2002 23097.6121 23592.5842 23355.2684 23846.7065 9.81_464.1919m/z 464.1918998 9.81 18856.7155 20141.9361 19151.0637 20475.9958 21445.2660 21250.1170 9.81_724.2430m/z 724.2430131 9.81 4834.7639 5498.3372 4960.4017 5308.6270 5071.5473 5013.0952 9.81_737.2305n 738.2377565 9.81 12614.6261 14341.2570 13167.3468 13558.9540 13277.6841 13552.7979 9.81_744.2471m/z 744.2471283 9.81 1912.2802 1995.4325 1880.8120 1985.2445 1898.7807 1932.1060 9.81_986.2517m/z 986.2517157 9.81 1953.8454 2347.3838 2072.4428 1902.6967 1998.4583 1953.7810 9.82_386.3254m/z 386.3254234 9.82 191.2823 289.5942 262.2619 215.1607 234.6354 251.7862 9.83_189.0876m/z 189.0875943 9.83 3391.8666 3271.5894 3296.6774 3274.5333 3336.6374 3362.8906 9.83_234.0903n 257.0827964 9.83 21382.9743 21290.2751 21129.0125 21244.4411 21516.1480 21763.8463 9.83_273.0425m/z 273.0424792 9.83 2255.6543 2200.3082 2264.3318 2247.0613 2268.9698 2212.5438 9.83_311.0727m/z 311.0727265 9.83 2928.4819 2818.7133 2790.5537 2849.1185 2970.3211 2965.0305 9.83_319.0494m/z 319.0494272 9.83 1604.2850 1395.0637 1512.2608 1484.0296 1504.7346 1472.5488 9.83_332.1889m/z 332.1889125 9.83 5341.2256 5949.9273 5459.4460 5499.2069 5588.3149 5665.2048 9.84_284.1733n 307.1599867 9.84 12446.6077 13827.8789 12852.1784 12900.6918 12759.0616 13125.2090 9.84_326.2315m/z 326.2314775 9.84 670.5100 876.0091 668.2084 841.1715 689.5709 827.3105 9.84_356.2432m/z 356.2431935 9.84 16562.7559 19228.3918 18008.5295 17440.3032 18201.7176 17885.1579 C19H30O5 Piperonyl butoxide CHEBI:32687 MEDIUM 9.84_667.2211m/z 667.2211094 9.84 3389.2197 3499.8066 3332.9976 3444.9241 3274.9951 3337.1319 9.84_681.2075m/z 681.2075485 9.84 9113.9420 9673.7924 9137.4466 9459.9386 9129.6261 9303.1782 9.85_151.1121m/z 151.1121096 9.85 1036.3036 1085.5875 1066.3470 1011.3077 1064.5557 1078.2668 C10H14O 2-Tert-butylphenol MEDIUM 9.85_177.1280m/z 177.1279694 9.85 3520.7221 3671.4295 3522.7183 3707.7599 3573.1895 3610.7608 C12H18O2 Hexylresorcinol MEDIUM 9.85_405.1903m/z 405.1903308 9.85 4346.4461 3957.3093 3993.9927 3952.4671 3944.7532 4030.2097 9.85_466.0560m/z 466.0559967 9.85 666.7960 806.1516 674.2069 695.8296 652.0459 732.0566 C16H14F5N5O5S Penoxsulam MEDIUM 9.85_488.0403m/z 488.0402894 9.85 638.7538 511.2273 494.9089 558.4773 478.7324 500.3201 9.85_993.2674n 977.2448626 9.85 14459.2295 17205.2588 15152.6748 15486.5556 15387.1235 15343.3148 9.87_169.1227m/z 169.122716 9.87 249.8482 241.1435 252.6129 240.5792 252.1404 213.0185 9.87_255.2103m/z 255.2102615 9.87 572.2565 539.9400 546.1487 616.0662 542.0908 570.9745 9.87_268.5727m/z 268.5726976 9.87 77.3770 87.1461 74.6686 60.7107 93.4543 54.1442 9.87_302.5578m/z 302.5578348 9.87 67.3542 85.5951 95.0217 64.9417 87.8581 97.5790 9.87_325.1081m/z 325.1080658 9.87 4073.3694 4015.4964 4100.4801 4008.3155 4307.2332 4130.9456 9.87_340.6293m/z 340.6293226 9.87 392.6761 488.2962 473.9605 457.7007 483.6115 449.0707 9.87_343.1366m/z 343.1365791 9.87 41314.4753 44668.4057 43056.5763 43483.1627 43810.7752 44619.9424 9.87_374.6134m/z 374.6134121 9.87 146.0918 160.2910 121.1917 134.1008 140.9949 169.3297 9.87_383.6190m/z 383.6189523 9.87 383.3575 585.8622 420.5793 472.1157 434.5318 516.7414 9.87_385.0602m/z 385.0601669 9.87 11536.4804 10856.7691 11235.1764 11201.6696 11165.5831 11263.8310 9.87_388.1149n 389.1232986 9.87 34522.6113 38081.7150 36219.2552 36354.4813 35913.1360 36476.7309 9.87_475.1051n 459.0825297 9.87 998.1789 1047.1643 1005.2536 1128.5202 953.9640 1085.2377 9.87_543.6879m/z 543.6878878 9.87 327.4510 445.7373 405.1865 346.7511 342.3108 431.6965 9.87_586.6820m/z 586.6819959 9.87 310.1972 485.2052 363.8288 376.0504 332.1000 412.7347 9.87_636.0803m/z 636.0803055 9.87 502.7310 626.5337 582.9935 640.2661 642.2605 553.0061 9.87_663.2694m/z 663.269392 9.87 6704.6761 7255.9634 6987.1858 6882.6212 7001.6888 6942.6272 9.87_695.2498m/z 695.2497566 9.87 4451.2446 4601.6466 4449.0011 4598.3484 4512.8929 4549.7943 9.87_722.7320m/z 722.7319895 9.87 113.4432 221.1366 166.4130 78.8231 108.5568 146.0587 9.87_749.2627m/z 749.2627077 9.87 10591.6698 12006.0435 11278.6427 11123.7758 11185.0314 11310.4405 9.87_950.2303m/z 950.2302672 9.87 5185.2314 5862.4062 5558.4337 5544.5209 5484.9345 5536.1920 9.88_126.9700m/z 126.969957 9.88 550.9474 462.5423 469.5619 500.8157 519.0091 520.9517 9.88_144.1158n 167.1036032 9.88 2140.6605 2293.7731 2161.2416 2333.8148 2178.4398 2268.6728 C8H16O2 Caprylic acid Caprylic acid HMDB00482 MEDIUM 9.88_153.1279m/z 153.1279291 9.88 135.7276 157.9695 141.5211 130.7667 153.6093 149.5914 C10H16O Perillyl alcohol HMDB03634 MEDIUM 9.88_199.0220m/z 199.0219686 9.88 8639.6350 8977.6196 8787.2354 8940.0842 8916.3053 9111.3105 9.88_218.1672n 201.1639023 9.88 2399.0073 2790.1901 2506.5976 2571.5067 2534.2958 2678.6872 9.88_231.9904n 214.9871131 9.88 663.0572 552.9058 597.7832 537.7121 619.5808 617.8811 9.88_255.1564m/z 255.1563785 9.88 2879.7236 3212.4560 3111.6978 3201.6408 3094.7525 3095.9127 9.88_259.5673m/z 259.5672724 9.88 164.9335 152.7240 160.2052 151.1979 140.9579 146.0757 9.88_260.9917m/z 260.991727 9.88 524.5076 428.5727 475.0102 478.0059 487.9552 457.2811 9.88_314.2327m/z 314.2326946 9.88 103426.3908 125232.1674 113011.6660 117946.9819 114269.0596 118083.6991 9.88_359.1022m/z 359.1021596 9.88 10741.0033 9580.8915 10024.8268 10305.7021 10327.2411 10152.2101 9.88_374.0682m/z 374.0681742 9.88 4305.2645 4225.8462 4183.8872 4241.9462 4359.0418 4407.3232 9.88_379.0702m/z 379.0701981 9.88 400.5019 364.2906 357.9300 332.5955 353.7557 398.6528 9.88_379.1923m/z 379.1922662 9.88 4460.0260 4408.2856 4605.4857 4631.1054 4579.6857 4588.7834 9.88_391.0187m/z 391.018749 9.88 413.7067 432.5567 457.2649 402.4903 431.5304 463.0215 9.88_435.1961m/z 435.1961461 9.88 36368.0898 36344.0999 36078.1470 36459.9143 36348.3356 36336.3440 9.88_57.0707m/z 57.07068784 9.88 98.0163 100.2521 99.4792 88.6735 112.3156 95.5712 9.88_696.2507n 697.2081781 9.88 5256.3476 5280.3657 5327.6248 4992.4994 5296.2246 5279.5609 9.88_755.3383m/z 755.3382545 9.88 2560.2703 3064.0330 2723.6057 2624.0823 2803.5174 2803.6321 9.88_841.2836m/z 841.2835895 9.88 6507.2583 7608.5624 6769.5123 6937.0126 7031.8843 6819.7845 9.88_988.2581m/z 988.258086 9.88 4671.2964 5626.4902 4852.3537 5237.4380 5085.5935 5297.2723 9.89_114.1285m/z 114.1284856 9.89 930.1749 1004.5361 991.7270 969.8168 968.9961 971.6711 9.89_149.1331m/z 149.1330759 9.89 71.0849 87.4747 98.1312 80.4567 62.3771 81.8184 9.89_156.1389m/z 156.1388586 9.89 675.7220 656.3508 675.4919 641.4814 713.0184 692.2138 9.89_201.1409n 224.1260218 9.89 7940.3676 8454.5468 8227.3185 8316.2997 8307.5904 8497.0571 9.89_377.1192m/z 377.1191904 9.89 2901.7717 2577.8460 2893.8975 2549.5019 3023.4666 2799.3018 9.89_416.1347m/z 416.1347409 9.89 4414.3611 4513.1420 4098.4906 4685.2836 4183.5027 4564.7781 9.89_477.2510m/z 477.2510452 9.89 6528.6441 7230.5632 6724.4956 6934.1298 6769.8268 6898.9287 9.90_361.1836m/z 361.1836293 9.90 26061.0883 26413.5121 26245.2311 26617.8566 26474.5364 26438.7957 9.92_111.0421m/z 111.042058 9.92 295.9923 254.0694 274.0998 286.3918 298.8634 252.9019 C4H8O2 Butyric acid Butyric acid 30772 MEDIUM 9.92_237.1097m/z 237.1096834 9.92 14169.5324 12710.2562 13180.5681 12964.4422 15817.5387 12270.7872 9.93_133.0617m/z 133.0616509 9.93 204.7717 174.0688 162.2298 159.5642 150.0006 176.1609 C4H8N2O3 L-Asparagine Asparagine 17196 MEDIUM 9.93_310.2165m/z 310.2164895 9.93 15061.0901 24014.1639 28972.5588 31778.8826 23193.9366 25725.5549 C21H27NO Methadone 6807 MEDIUM 9.93_318.2090m/z 318.2090015 9.93 1837.7625 2259.8602 1968.7413 2055.4345 1926.1216 2093.5438 C19H24O3 Prallethrin MEDIUM 9.93_329.5873m/z 329.5873406 9.93 82.5079 70.9186 83.2488 56.6265 74.2740 85.2324 9.93_342.1724m/z 342.1723989 9.93 5443.4865 6463.1008 6052.2847 6031.9714 5967.0687 6157.6887 9.93_367.1379m/z 367.137881 9.93 13843.0769 13449.8305 13781.5745 13919.7549 13722.1510 13917.1275 9.94_157.0927n 141.0701607 9.94 6072.1564 6353.9488 6191.7063 6214.0049 6244.3314 6117.6498 9.94_169.0662n 152.0629454 9.94 26456.2707 27352.1966 26943.7531 27192.2805 27446.5150 26993.2813 9.94_185.0971m/z 185.0971343 9.94 58970.4035 64072.9807 61385.1422 61512.5711 62210.1256 63123.1506 9.94_201.0574m/z 201.0573831 9.94 1010.8228 970.9262 1066.0577 1046.2835 1091.2847 1076.4492 9.94_230.0943n 231.1015271 9.94 37318.2056 39693.1725 38862.1242 38411.3118 39468.4524 39120.6496 9.94_242.0438m/z 242.0438062 9.94 852.7062 694.0658 789.0618 747.5503 818.1767 767.1144 9.94_250.5764m/z 250.576421 9.94 404.0062 487.2268 458.0096 453.3542 472.3452 491.2764 9.94_269.0493m/z 269.0493128 9.94 1243.7416 1239.2730 1197.3250 1249.2335 1193.3501 1302.9334 9.94_269.5499m/z 269.5499044 9.94 62.3061 59.1514 69.0804 78.7828 62.9948 66.6558 9.94_307.6022m/z 307.6022484 9.94 98.7254 122.2305 128.3013 143.7001 141.5026 125.6540 9.94_320.0570n 338.0908375 9.94 2585.6910 2746.6125 2671.5642 2571.3293 2767.2561 2679.2822 9.94_338.5923m/z 338.5922637 9.94 685.2667 715.7137 724.5739 702.0055 713.7072 699.9103 9.94_341.0177m/z 341.0176741 9.94 531.5517 557.0018 550.5583 532.0597 536.1240 557.2020 9.94_373.5888n 357.5661976 9.94 102.4309 139.5590 103.0493 103.6104 119.8550 101.9741 9.94_395.6183m/z 395.6183459 9.94 178.4123 219.8853 197.9353 201.9069 201.7861 169.5596 9.94_398.0625n 416.0554375 9.94 3227.0976 2981.5572 3056.0684 3057.4756 3159.0989 3014.7672 9.94_400.6204n 418.6200158 9.94 138.4477 202.3381 175.6758 185.7436 162.8810 225.4784 9.94_424.1615m/z 424.1614845 9.94 16418.3043 18077.9918 16924.5518 17276.2866 16959.8957 16951.0771 C24H27NO5S Troglitazone 9753 MEDIUM 9.94_426.1072m/z 426.107183 9.94 7558.8514 8767.6592 8237.2305 8355.1007 8612.8862 8632.5101 9.94_426.6085m/z 426.6085426 9.94 1852.4778 2242.5379 2039.1180 2006.1460 2055.7595 2080.4895 9.94_446.1187n 429.1154387 9.94 113373.6528 124363.2232 119365.6660 120008.9111 121672.8568 122725.4474 9.94_460.0455m/z 460.0455303 9.94 9019.9709 8522.5742 8892.9110 8719.0105 8728.1864 8742.2108 9.94_465.0499m/z 465.049852 9.94 148.1208 149.1974 130.5213 158.4137 113.0665 137.9895 9.94_469.0472m/z 469.0471522 9.94 2707.1908 2427.2347 2588.1259 2475.3336 2639.9148 2522.3674 9.94_518.2315n 501.228197 9.94 7169.4438 7707.5916 7241.2327 7448.7570 7475.2583 7371.3503 9.94_522.1514n 505.1480627 9.94 3916.4834 4254.9391 4246.9370 4043.3380 4235.3176 4265.2779 9.94_541.6553m/z 541.6553283 9.94 132.8543 187.4191 160.3519 156.7607 160.8733 162.1747 9.94_598.6818m/z 598.681753 9.94 290.6806 465.8479 364.0362 354.3333 402.1621 407.5501 9.94_629.1713m/z 629.17135 9.94 4313.3763 5694.7397 4991.0915 4787.1876 5151.8989 5108.1177 9.94_629.6715m/z 629.6715173 9.94 1974.6074 2959.6944 2367.9643 2356.6926 2530.2599 2474.1660 9.94_659.2114m/z 659.211363 9.94 1615.2362 1648.2847 1594.6020 1623.3398 1666.0946 1668.5652 9.94_661.2008m/z 661.2007571 9.94 4372.2383 4464.2279 4386.9312 4379.1069 4545.1100 4453.5426 9.94_675.1943m/z 675.1943441 9.94 2151.9621 2169.1729 2148.4336 2070.4138 2154.7059 2080.5438 9.94_690.1501m/z 690.1501229 9.94 2055.3826 2215.2106 2092.7514 2071.5084 2173.0925 2194.5843 9.94_698.1973n 681.1939982 9.94 5198.0952 5498.7918 5337.0908 5185.3694 5385.2901 5302.0852 9.94_773.2597m/z 773.2596552 9.94 2890.4974 3331.6326 3058.4024 3004.9681 3100.1113 3038.3795 9.94_789.2315m/z 789.2314624 9.94 1589.3880 1691.0232 1732.6435 1611.6610 1739.1606 1680.4463 9.94_835.2397m/z 835.2397386 9.94 26450.6143 36159.5292 30129.1260 30253.9557 31775.8650 30830.5010 9.94_850.1971n 851.2043912 9.94 13289.0494 14493.5078 13905.3449 13631.8244 13801.7379 13668.0408 9.94_867.1890m/z 867.1889695 9.94 8351.3565 9477.8577 8774.7139 8644.7692 9010.0537 8734.8322 9.94_874.2265n 857.2232587 9.94 17997.3214 20307.6830 19005.1685 18303.0266 19284.5292 18725.9676 9.94_890.7516m/z 890.7516118 9.94 198.4281 434.9218 357.0645 297.6596 382.6429 287.7295 9.94_911.1858m/z 911.1858314 9.94 1269.6193 1453.5351 1345.8084 1225.4014 1348.2291 1336.3882 9.94_923.2916m/z 923.2916346 9.94 687.4741 792.4765 685.5070 629.1787 854.8022 718.8630 9.95_155.0483m/z 155.0482532 9.95 494.4474 498.6047 472.1218 525.2040 523.5988 546.5410 9.95_297.1665m/z 297.1664518 9.95 7207.4083 7718.4680 7499.6286 7411.2137 7558.9359 7527.0391 9.95_315.0543m/z 315.0542523 9.95 2981.1407 2851.0241 2832.3266 2827.4070 2901.2616 2805.9415 C11H11F3N2O4 2-hydroxyflutamide MEDIUM 9.95_317.1014m/z 317.1014314 9.95 3434.9563 3963.6143 3498.6359 3642.3538 3654.1734 3762.2042 C15H18O6 Tutin MEDIUM 9.95_331.0249m/z 331.0248856 9.95 341.0467 251.5068 338.4057 255.1399 282.3985 330.1575 9.95_346.2576m/z 346.2576153 9.95 953.2011 1094.1202 1038.5318 1064.7847 1066.9020 1037.5027 9.95_356.0238n 357.0659178 9.95 4636.8432 4431.3431 4451.3361 4455.4740 4545.4063 4447.7493 9.95_360.2730m/z 360.2730053 9.95 918.1836 945.0078 874.6292 976.3624 875.9851 892.0554 9.95_365.0702m/z 365.0701979 9.95 3246.6537 3142.9049 3377.9163 3153.8071 3237.9886 3204.8870 9.95_371.1677m/z 371.1676876 9.95 8194.8236 8645.4179 8256.4214 8314.7616 8434.3521 8488.0910 C19H25N5O4 Terazosin Terazosin 9445 MEDIUM 9.95_397.6308m/z 397.6308095 9.95 91.5286 130.5787 123.1252 113.5643 103.7376 130.7845 9.95_445.0870m/z 445.0869576 9.95 24384.4893 23824.3248 23897.5157 24238.0009 23939.2204 24323.9372 9.95_451.0959m/z 451.0959254 9.95 8318.5300 7954.9961 8176.3309 8080.4063 8399.0751 8259.9413 9.95_471.0448m/z 471.0447542 9.95 2024.9916 1957.7834 1920.9782 2007.8928 1968.8271 2019.4967 9.95_490.0484n 491.0874742 9.95 4571.3146 4197.1364 4672.6118 4280.9785 4549.8718 4401.4832 9.95_600.2273m/z 600.2273326 9.95 2266.6558 2273.0391 2094.1043 2417.8856 2133.5710 2298.2222 9.95_777.2867m/z 777.2867185 9.95 1380.3066 1679.8041 1575.7149 1434.7768 1602.3301 1488.7150 9.95_879.1901m/z 879.1900858 9.95 4264.4418 5364.1174 5021.7652 4180.0329 4929.1424 4704.1253 9.97_417.1707m/z 417.1706567 9.97 4329.1874 4495.0983 4391.4913 4270.8953 4497.4951 4384.7377 C21H27FO6 Triamcinolone 481691 MEDIUM 9.98_278.1740m/z 278.1740224 9.98 5149.5507 5506.6389 5237.4910 5404.9001 5526.3410 5556.1245 9.98_359.1854m/z 359.1853591 9.98 4588.8966 4403.2362 4569.2500 4400.4387 4618.6099 4493.9221 9.98_381.0855m/z 381.0854598 9.98 771.7000 812.9666 735.6643 723.8979 746.7730 720.7608 9.99_477.1075m/z 477.1074952 9.99 2329.6176 2543.1942 2409.7514 2377.6954 2531.2188 2451.0726