Analytical and Bioanalytical Chemistry

Electronic Supplementary Material

Combined drug screening and confirmation by liquid chromatography time-of-flight mass spectrometry

with reverse database search

Ana de Castro, Merja Gergov, Pekka Östman, Ilkka Ojanperä, Anna Pelander

32 ACRIVASTINE 13.2 C22H24N2O2 349.1911 C18H16NO2 278.1176 C18H14NO 260.1070 - - 33 ALFA-METHYLFENTANYL 11.8 C23H30 N2O 351.2431 C14H20N 202.1590 C7H7 91.0542 C9H11 119.0855 34 ALFENTANYL 11.8 C21H32N6O3 417.2609 C12H22N5O2 268.1768 C10H17N2O2 197.1285 C6H12N5O 170.1036 35 ALPRAZOLAM 15.3 C17H13 N4Cl 309.0902 C16H12ClN3 281.0714 C15H12ClN2 255.0684 C10H9ClN3 206.0479 36 ALPRENOLOL 11.9 C15H23NO2 250.1802 C10H11O 147.0804 C6H14NO 116.1070 C12H13O 173.0961 37 AMANTADINE 6.6 C10H17N 152.1434 C10H15 135.1168 C8H11 107.0855 C7H9 93.0699 38 AMFEPRAMONE (diethylcathinone) 6.8 C13H19NO 206.1539 C8H9 105.0699 C6H14N1 100.1121 C11H14N 160.1121 39 AMIDEPHRINE 1.9 C10H16N2O3S 245.0954 C10H15N2O2S 227.0849 - - - - 40 AMILORIDE 5.1 C6H8N7OCl 230.0552 C3H3ClN3 116.0010 C5H4ClN4O 171.0068 - - 41 AMINOPHENAZONE 5.0 C13H17N3O 232.1444 C5H9N2 97.0760 C6H13N2 113.1073 C10H13N2O 177.1022 42 AMIODARONE 18.7 C25H29NO3I2 646.0310 - - - - - - 43 AMISULPIRIDE 8.3 C17H27N3O4S 370.1795 C10H12NOS 242.0482 C8H6NS 1 196.0063 - - 44 AMITRIPTYLINE 13.7 C20H23N 278.1903 C18H17 233.1325 C9H9 117.0699 C17H14 218.1090 45 AMPHETAMINE 4.6 C9H13N 136.1121 C7H7 91.0542 C9H11 119.0855 - - 46 ANTAZOLINE 11.1 C17H19N3 266.1652 C7H7 91.0542 C14H14N1 196.1121 C10H13N3 175.1104 47 APRONALIDE 12.9 C9H16N2O2 185.1285 - - - - - - 48 ARIPIPRAZOLE 14.6 C23H27Cl2N3O2 448.1553 C14H19Cl2N2 285.0920 C13H16NO2 218.1176 C10H10NO2 176.0706 49 ARTICAINE 8.6 C13H20N2O3S 285.1267 C5H12N 86.0964 - - - - 50 ASTEMIZOLE 11.5 C28H31 N4OF 459.2555 C14H20NO 218.1539 C9H11O 135.0804 C19H19FN3 308.1557 51 ATENOLOL 3.9 C14H22 N2O3 267.1703 C10H9O 145.0648 C11H12NO2 190.0862 C10H12NO2 178.0862 52 AZACYCLONOL 10.6 C18H21NO 268.1700 C11H11 143.0855 C18H20N 250.1590 C13H11 167.0855 53 AZAPROPAZONE 13.2 C16H20N4O2 301.1659 C10H14N4 190.1213 - - - - 54 BDB 8.1 C11H15NO2 194.1176 C8H7O2 135.0441 C11H13O2 177.0910 - - 55 BENACTYZINE 11.0 C20H25NO3 328.1907 C13H11O 183.0804 C6H14N 100.1121 C13H11 167.0855 56 BENORILATE 15.3 C17H15NO5 314.1023 C8H10NO2 152.0706 C7H5O2 121.0284 C15H14NO4 272.0917 57 BENZHEXOL 13.0 C20H31NO 302.2478 C6H12N 98.0964 C20H30N 284.2373 C9H9 117.0699 58 BENZOYLECGONINE 9.3 C16H19NO4 290.1387 C9H14NO2 168.1019 C7H5O 105.0335 C9H12NO 150.0913 59 BETAXOLOL 11.9 C18H29NO3 308.2220 C12H15O3 207.1016 C6H14NO 116.1070 C8H9O 121.0648 60 BIPERIDEN 12.9 C21H29NO 312.2322 C6H12N 98.0964 C21H28N 294.2216 C16H24NO 246.1852 61 BISOPROLOL 11.0 C18H31NO4 326.2326 C6H14NO 116.1070 C7H7O 107.0491 C9H9O 133.0648 62 BITREX 12.1 C21H29N2O 325.2274 C14H21N2O 233.1648 C7H7 91.0542 C5H12N1 86.0964 63 BROMAZEPAM 13.1 C14H10 N3OBr 316.0080 C13H11BrN3 288.0131 - - - - 64 BROMODRAGONFLY 13.3 C13H12NO2Br 294.0124 C13H10BrO2 276.9859 C11H6BrO2 248.9546 - - 65 BROMPHENIRAMINE 11.1 C16H19 N2Br 319.0804 C14H13BrN 274.0226 - - - - 66 BRUCINE 8.8 C23H26N2O4 395.1965 C21H23N2O4 367.1652 - - - - 67 BUPIVACAINE 10.8 C18H28 N2O 289.2274 C9H18N 140.1434 - - - - 68 BUPRENORPHINE 12.5 C29H41NO4 468.3108 - - - - - - 69 BUPROPIONE 10.3 C13H18NOCl 240.1150 C9H9N 131.0729 C8H8Cl 139.0309 C9H11ClNO 184.0524 70 BUSPIRONE 10.9 C21H31N5O2 386.2550 C6H8N3 122.0713 C15H25N2O2 265.1910 C13H20NO2 222.1488

71 BUTYLSCOPOLAMINE 9.8 C21H30NO4 360.2169 C12H20NO 194.1539 C8H12NO 138.0913 C8H14NO2 156.1019 72 CAFFEINE 8.9 C8H10N4O2 195.0876 C6H8N3O 138.0662 C5H8N3 110.0713 C7H7O2 123.0441 73 CAPSAICIN 17.2 C18H27NO3 306.2064 C8H9O2 137.0597 C7H6O2 122.0362 C6H6O 94.0413 74 CARBAMAZEPINE 13.6 C15H12N2O 237.1022 C14H12N 194.0964 C13H9N 179.0729 - - 75 CARBINOXAMINE 10.7 C16H19N2OCl 291.1259 C12H9ClN 202.0418 C14H13ClNO 246.0680 - - 76 CARBUTAMIDE 11.5 C11H17N3SO3 272.1063 C6H6NO2S 156.0114 - - - - 77 CARISOPRODOL 14.8 C12H24N2O4 261.1809 C8H18NO3 176.1281 C11H22NO2 200.1645 C8H16NO2 158.1175 78 CARVEDILOL 14.2 C24H26N2O4 407.1965 C12H18NO3 224.1281 C17H19N2O2 283.1441 C10H14NO2 180.1019 79 CATHINONE 2.9 C9H11NO 150.0913 C8H7N 117.0573 C9H10N 132.0808 C8H9 105.0699 80 CELIPROLOL 10.5 C20H33N3O4 380.2544 C16H26N3O4 324.1918 C19H21N3O 307.1679 C15H21N2O3 277.1547 81 CETIRIZINE 15.1 C21H25N2O3Cl 389.1626 C13H10Cl 201.0465 C8H15N2O3 187.1077 - - 82 CHLORBENZOXAMINE 16.8 C27H31N2OCl 435.2198 C13H10Cl 201.0465 - - - - 83 CHLORDIAZEPOXIDE 11.7 C16H14N3OCl 300.0898 C16H13ClN3 282.0792 C14H10ClN 227.0496 - - 84 CHLOROPYRAMIDE 12.3 C16H20N3Cl 290.1418 C14H14ClN2 245.0840 C7H6Cl 125.0152 - - 85 CHLOROQUINE 6.4 C18H26N3Cl 320.1888 C14H16ClN2 247.0996 C9H20N 142.1590 C9H8ClN2 179.0370 86 CHLORPHENIRAMINE 10.7 C16H19N2Cl 275.1309 C14H13ClN 230.0731 C12H9ClN 202.0418 - - 87 CHLORPROMAZINE 15.1 C17H19N2SCl 319.1030 C13H9ClNS 246.0139 C5H12N 86.0964 - - 88 CHLORPROPAMIDE 14.4 C10H13N2O3SCl 277.0408 C6H4ClN2 139.0057 C6H4ClO2S 174.9615 C6H6ClO 129.0102 89 CHLORPROTHIXENE 14.9 C18H18NSCl 316.0921 C13H8ClS 231.0030 C16H12ClS 271.0343 C14H10ClS 245.0186 90 CIMETIDINE 3.11 C10H16N6S 253.1230 C5H11N4S 117.0481 C4H9N2S 159.0699 - - 91 CINCHOCAINE 14.4 C20H29N3O2 344.2332 C16H19N2O2 271.1441 C12H11N2O2 215.0815 C14H14NO2 228.1019 92 CINNARIZINE 15.6 C26H28N2 369.2325 C13H11 167.0855 C12H8 152.0620 C9H9 117.0699 93 CISAPRIDE 13.8 C23H29N3O4ClF 466.1903 C8H7ClNO2 184.0160 C14H17FNO 234.1287 C15H24FN2O2 283.1816 94 CITALOPRAM 12.4 C20H21N2OF 325.1711 C18H13FN 262.1026 C7H6F 109.0448 C17H10FN 247.0792 95 CLOBAZAM 14.9 C16H13N2O2Cl 301.0738 C14H12ClN2O 259.0633 C14H12N2O 224.0944 - - 96 CLOBUTINOL 11.3 C14H22NOCl 256.1463 C9H8Cl 151.0309 C7H6Cl 125.0152 C12H14Cl 193.0778 97 CLOMIPRAMINE 15.3 C19H23N2Cl 315.1622 C15H13ClN 242.0731 C17H17ClN 270.1044 C14H10ClN 227.0496 98 CLONIDINE 4.0 C9H9N3Cl2 230.0246 C9H7Cl2N2 212.9981 C7H5Cl2N2 186.9824 - - 99 CLOPAMIDE 12.2 C14H20N3O3SCl 346.0987 C7H9ClN3O3S 250.0048 C7H14N 112.1121 C9H11ClN3O3S 276.0204

100 CLOTHIAPINE 13.5 C18H18N3SCl 344.0983 C15H12ClN2S 287.0404 C13H7ClNS 243.9982 C17H14ClN2S 313.0561 101 CLOZAPINE 11.8 C18H19N4Cl 327.1371 C15H13ClN3 270.0792 C17H15ClN3 296.0949 C13H8ClN2 227.0370 102 COCAETHYLENE 10.4 C18H23NO4 318.1700 C11H18NO2 196.1332 C9H12NO 150.0913 C9H14NO2 168.1019 103 COCAINE 9.4 C17H21NO4 304.1543 C10H16NO2 182.1175 C9H12NO 150.0913 C7H5O 105.0335 104 CODEINE 4.7 C18H21NO3 300.1594 C15H15O3 243.1017 C14H15O2 215.1063 C15H13O2 225.0902 105 COLCHICINE 13.4 C22H25NO6 400.1755 C20H24NO5 358.1649 C19H21NO5 343.1414 - - 106 COTININE 2.1 C10H12N2O 177.1022 C5H8NO 98.0600 C9H8NO 146.0600 C8H10N 120.0808 107 COUMATETRALYL 18.0 C19H16O3 293.1172 C10H7O3 175.0390 C10H11 131.0855 C11H9O3 189.0546 108 CYCLIZINE 12.0 C18H22N2 267.1856 C13H11 167.0855 C12H8 152.0620 C11H9 141.0699 109 CYCLOPENTOLATE 10.4 C17H25NO3 292.1907 C12H13 157.1012 C10H9 129.0699 C10H11O2 163.0753

110 CYPROHEPTADINE 13.6 C21H21N 288.1747 C15H11 191.0855 C17H13 217.1011 C19H17 245.1325 111 DEMOXEPAM 13.3 C15H11N2O2Cl 287.0582 - - - - - - 112 DESIPRAMINE 13.8 C18H22N2 267.1856 C15H14N 208.1121 C17H18N 236.1434 C14H14N 196.1121 113 DESMETHYLFLUNITRAZEPAM 14.6 C15H10N3O3F 300.0779 - - - - - - 114 DEXTROMETHORPHAN 11.6 C18H25NO 272.2009 C15H19O 215.1430 C10H11O 147.0804 C12H13O 173.0961 115 DEXTROPROPOXYPHENE 13.7 C22H29NO2 340.2271 C19H24N 266.1903 - - - - 116 DIAZEPAM 16.4 C16H13N2OCl 285.0789 C14H11ClN 228.0574 C15H14ClN2 257.0840 C14H11ClN 228.0574 117 DIBENZEPIN 10.2 C18H21N3O 296.1757 C16H15N2O 251.1179 C15H12N2O 236.0944 C14H11NO 209.0835 118 DICYCLOVERINE 15.5 C19H35NO2 310.2741 C15H25O2 237.1849 C8H13 109.1012 C12H21 165.1638 119 DIHYDROCODEINE 4.7 C18H23NO3 302.1751 C15H17O3 245.1172 C13H13O2 201.0910 C15H15O2 227.1067 120 DILTIAZEM 13.0 C22H26N2O4S 415.1686 C9H8NOS 178.0321 C8H8NS 150.0372 C20H20NO4S 370.1107 121 DIMETHOATE 10.6 C5H12NO3PS2 230.0069 C4H8O3PS2 198.9647 C3H8O2PS2 170.9698 - - 122 DINORTRAMADOL 8.9 C14H21NO2 236.1645 C8H9O 121.0648 C13H17O 189.1274 C14H20NO 218.1539 123 DIPHENHYDRAMINE 11.7 C17H21NO 256.1696 C13H11 167.0855 C12H8 152.0620 C11H9 141.0699 124 DIPHENOXYLATE 15.7 C30H32N2O2 453.2537 C5H7O2 99.0441 C27H27N2 379.2169 C14H19NO2 233.1410 125 DIPHENYLPYRALINE 12.6 C19H23NO 282.1852 C13H11 167.0855 C12H8 152.0620 C6H14NO 116.1070 126 DISOPYRAMIDE 9.5 C21H29N3O 340.2383 C15H15N2O 239.1179 C14H13N 195.1042 C15H13N2 221.1073 127 DIXYRAZINE 15.1 C24H33N3SO2 428.2366 C13H10NS 212.0528 C13H28NS 230.1937 C10H22NS 188.1467 128 DMPEA 4.9 C10H15NO2 182.1176 C10H13O2 165.0910 C9H10O2 150.0675 C7H7O 107.0491 129 DMT 6.8 C12H16N2 189.1386 C10H10N 144.0808 - - - - 130 DOET 11.9 C13H21NO2 224.1645 C12H16O2 192.1145 C13H19O2 207.1380 C11H15O2 179.1067 131 DOM 10.5 C12H19NO2 210.1489 C9H11O 135.0804 C12H17O2 193.1223 C10H13O2 165.0910 132 DOXAPRAM 10.5 C24H30N2O2 379.2380 C20H22NO 292.1696 C19H22N 264.1747 C11H11 143.0855 133 DOXEPIN 12.4 C19H21NO 280.1696 C17H15O 235.1117 C7H7O 107.0491 C16H12O 220.0883 134 DPT 10.7 C16H24N2 245.2012 C10H10N 144.0808 C7H16N 114.1277 C8H8N 118.0651 135 DROFENINE 14.9 C20H31NO2 318.2428 C10H11O2 163.0754 C16H21O2 245.1536 C6H14N 100.1121 136 DROPERIDOL 11.7 C22H22N3O2F 380.1769 C10H10FO 165.0710 C11H13FNO 194.0976 C7H4FO 123.0241 137 DROPOPIZINE 4.3 C13H20N2O2 237.1597 C8H10N 120.0808 C10H12N2 160.0995 C11H15N2 175.1230 138 DULOXETIN 12.0 C18H19NOS 298.1260 - - - - - - 139 E-10-OH-AMITRIPTYLINE 10.5 C20H23NO 294.1852 C18H15 231.1168 C17H12 216.0933 C20H22N 276.1747 140 E-10-OH-NORTRIPTYLINE 10.5 C19H21NO 280.1696 C17H12 216.0933 C18H15 231.1168 C16H13 205.1012 141 EBASTINE 18.1 C32H39NO2 470.3054 C13H11 167.0855 C14H19O 203.1430 - - 142 ECGONINE METHYL ESTER (EME) 1.0 C10H17NO3 200.1281 C10H16NO2 182.1175 C9H12NO 150.0913 C9H14NO2 168.1019 143 EDDP 11.7 C20H23N 278.1903 C18H19N 249.1512 C17H16N 234.1277 C14H19N 201.1512 144 EMBUTRAMIDE 15.7 C17H27NO3 294.2064 C8H9O 121.0648 C8H16N 126.1277 C6H12N 98.0964 145 ENALAPRIL 12.6 C20H28N2O5 377.2071 C10H15N2O3 211.1077 C14H20NO2 234.1488 - - 146 ESMOLOL 10.2 C16H25NO4 296.1856 C10H9O 145.0648 C13H15O3 219.1016 C9H9O 133.0648 147 ETHENZAMIDE 11.8 C9H11NO2 166.0863 C9H9O2 149.0597 C9H7O1 131.0491 C6H7O2 111.0441

148 ETHYLCATHINONE 5.3 C11H15N1O1 178.1226 C8H9 105.0699 - - - - 149 ETHYLMORPHINE 7.1 C19H23NO3 314.1751 C16H17O3 257.1172 C16H15O2 239.1067 C 19H22NO2 296.1645 150 ETILEFRINE 1.8 C10H15NO2 182.1176 C10H14NO 164.1070 C8H10NO 136.0757 - - 151 ETODROXIZINE 14.2 C23H31N2O3Cl 419.2096 C18H12ClFN3 324.0698 - - - - 152 EXEMESTANE 17.3 C20H24O2 297.1849 C10H13O 149.0961 C20H23O 279.1743 C9H11O 135.0804 153 FELODIPINE 19.3 C18H19NO4Cl2 384.0764 C16H14Cl2NO3 338.0345 C17H16Cl2O3 352.0502 C15H12Cl2NO3 324.0189 154 FENAZEPAM 15.5 C15H10N2OBrCl 348.9738 C14H11ClN2 242.0605 C7H7BrN 183.9756 - - 155 FENCAMFAMINE 10.5 C15H21N 216.1747 C7H7 91.0542 C10H9 129.0699 C9H9 117.0699 156 FENFLURAMINE 11.2 C12H16NF3 232.1308 C8H6F3 159.0416 - - - - 157 FENTANYL 11.5 C22H28N2O 337.2274 C13H18N 188.1434 C8H9 105.0699 C14H18NO 216.1382 158 FEXOFENADINE 13.7 C32H39NO4 502.2952 C32H38NO3 484.2846 C32H36NO2 466.2741 - - 159 FLECAINIDE 12.8 C17H20N2O3F6 415.1451 C17H18F6NO3 398.1185 C11H7F6O3 301.0294 C11H10F6NO3 318.0559 160 FLUANISONE 12.5 C21H25N2O2F 357.1973 C10H10FO 165.0710 C7H4FO 123.0241 C6H13FNO2 150.0925 161 FLUCONAZOLE 10.9 C13H12N6OF2 307.1113 C9H7F2O 169.0459 C9H5F2 151.0354 - - 162 FLUMAZENIL 13.3 C15H14N3O3F 304.1092 C13H11FN3O3 276.0779 C11H6FN2O2 217.0408 C13H9FN3O2 258.0673 163 FLUNITRAZEPAM 15.5 C16H12N3O3F 314.0935 C16H13FN2O 268.1006 C16H13FN2O3 300.0905 C15H13FN3O2 286.0986 164 FLUNIXIN 18.3 C14H11N2O2F3 297.0845 C11H11F4N2O2 279.0751 C10H8F4N2O2 264.0516 C11H10F3N2O2 259.0689 165 FLUOXETINE 14.7 C17H18NOF3 310.1413 - - - - - - 166 FLUPENTIXOL 16.9 C23H25N2OSF3 435.1712 C17H12F3S 305.0606 - - - - 167 FLUPHENAZINE 16.7 C22H26N3OSF3 438.1821 C9H19N2O 171.1492 C7H15N2O 143.1179 C16H13F3NS 308.0715 168 FLURAZEPAM 11.9 C21H23N3OClF 388.1586 C17H13ClFN2O 315.0695 C16H12ClFNO 288.0586 - - 169 FLUVOXAMINE 14.4 C15H21N2O2F3 319.1628 C10H9F3N 200.0682 - - - - 170 GALANTAMINE 3.3 C17H21NO3 288.1594 C14H13O2 213.0910 C14H15O3 231.1016 C13H10O2 198.0675 171 GLAPHENINE 10.1 C19H17N2O4Cl 373.0950 C16H10ClN2O 281.0476 C16H12ClN2O2 299.0582 - - 172 GLIBENCLAMIDE 18.7 C23H28N3SO5Cl 494.1511 C16H18ClN2O4S 369.0670 C17H16ClN2O5S 395.0463 - - 173 GLIPIZIDE 16.3 C21H27N5SO4 446.1856 C14H17N4O3S 321.1016 C14H14N3O3S 304.0750 C15H15N4O4S 347.0808 174 GUAIFENESIN 10.2 C10H14O4 199.0965 C7H6O2 122.0356 C10H11O2 163.0748 C6H6O2 110.0362 175 HALOPERIDOL 12.9 C21H23NO2ClF 376.1474 C21H22ClFNO 358.1368 C7H13ClFN 165.0715 - - 176 HARMALINE 10.3 C13H14N2O 215.1179 C11H12NO 174.0913 C12H12N2O 200.0944 C9H9N 131.0729 177 HARMAN 9.1 C12H10N2 183.0917 C9H7 115.0542 C10H8N 142.0651 C11H8N2 168.0682 178 HARMINE 10.5 C13H12N2O 213.1022 C12H10N2O 198.0788 C11H10N2 170.0838 - - 179 HEROIN 9.2 C21H23NO5 370.1649 C19H20NO3 310.1438 C17H18NO2 268.1332 - - 180 HHMA 1.8 C10H15NO2 182.1176 C7H7O2 123.0441 C9H11O2 151.0754 - - 181 HISTAPYRRODINE 12.6 C19H24N2 281.2012 C6H12N 98.0964 C15H16N 210.1277 C7H7 91.0542 182 HMA 3.2 C10H15NO2 182.1176 C10H13O2 165.0910 C8H9O2 137.0597 C8H9 105.0699 183 HMMA 3.6 C11H17NO2 196.1332 C8H9O2 137.0597 C8H9 105.0699 C10H13O2 165.0910 184 HOMATROPINE 5.9 C16H21NO3 276.1594 C8H14N 124.1121 C8H16NO 142.1226 - - 185 HYDROCODONE 6.4 C18H21NO3 300.1594 C13H11O2 199.0754 C15H15O3 243.1016 C16H17O3 257.1172

186 HYDROMORPHONE 2.7 C17H19NO3 286.1438 - - - - - - 187 HYDROXYALPRAZOLAM 14.4 C17H13N4OCl 325.0851 C16H12ClN3O 297.0663 - - - - 188 HYDROXYCHLOROQUINE 5.6 C18H26N3OCl 336.1837 C14H16ClN2 247.0996 C9H8ClN2 179.0370 C10H8ClN2 191.0370 189 HYDROXYCOTININE 1.4 C10H12N2O2 193.0971 C8H8NO 134.0600 - - - - 190 HYDROXYQUETIAPINE 8.2 C21H25N3O3S 400.1689 C15H13N2OS 269.0743 C17H15N2OS 295.0900 C13H8NOS 226.0321 191 HYDROXYZINE 14.0 C21H27N2O2Cl 375.1834 C13H10Cl 201.0465 C13H10 166.0777 C13H9N2 193.0760 192 IMIPRAMINE 13.7 C19H24N2 281.2012 C15H14N 208.1121 C5H12N 86.0964 C17H18N 236.1434 193 INDAPAMIDE 13.6 C16H16N3SO3Cl 366.0674 C9H10N 132.0808 - - - - 194 INDOMETHACIN 19.5 C19H16NO4Cl 358.0841 C7H4ClO 138.9945 - - - - 195 IPRINDOL 15.5 C19H28N2 285.2325 C15H20N 214.1590 C17H22N 240.1747 C9H10N 132.0808 196 ISONIAZIDE 1.3 C6H7N3O 138.0662 C6H5N2O 121.0396 - - - - 197 ISOXSUPRINE 10.2 C18H23NO3 302.1751 C9H12NO 150.0913 C18H22NO2 284.1645 C9H11O 135.0804 198 ISRADIPINE 18.0 C19H21N3O5 372.1554 C19H12N 254.0964 C16H14N3O4 312.0979 C12H16N2O5 268.1054 199 KETAMINE 7.9 C13H16NOCl 238.0993 C7H6Cl 125.0152 C11H12Cl 179.0622 C13H15ClN 220.0887 200 KETOBEMIDONE 7.3 C15H21NO2 248.1645 C12H16NO 190.1226 C13H15NO 201.1148 C15H20NO 230.1539 201 KETOPROFEN 16.1 C16H14O3 255.1016 C15H13O 209.0961 C10H9O3 177.0546 C7H5O 105.0335 202 KETOROLAC 15.1 C15H13NO3 256.0968 C9H8NO3 178.0499 - - - - 203 LABETALOL 11.4 C19H24N2O3 329.1860 C9H8NO2 162.0550 C19H20NO2 294.1488 C7H7 91.0542 204 LAMOTRIGINE 8.8 C9H7N5Cl2 256.0151 C7H5Cl2N2 186.9824 C8H7Cl2N4 229.0042 - - 205 LETROZOLE 14.4 C17H11N5 286.1087 C14H8N 190.0651 C15H9N2 217.0760 - - 206 LEVETIRACETAM 5.6 C8H14N2O2 171.1128 C7H12NO 126.0913 C8H12NO2 154.0862 - - 207 LEVOCABASTINE 13.2 C26H29N2O2F 421.2286 C13H18NO2 220.1332 C12H16N 174.1277 - - 208 LEVOMEPROMAZINE 14.3 C19H24N2OS 329.1682 C14H12NOS 242.0634 C6H14N 100.1121 C13H11NOS 229.0556 209 LIDOCAINE 7.2 C14H22N2O 235.1805 C5H12N 86.0964 - - - - 210 LORATADINE 18.2 C22H23N2O2Cl 383.1521 C20H18ClN2O 337.1102 C19H17ClN 294.1044 C18H17ClN 282.1044 211 LORAZEPAM 14.5 C15H10N2O2Cl2 321.0192 C14H9Cl2N2 275.0137 C13H11Cl2N2 265.0294 C7H5ClN 138.0105 212 LORMETAZEPAM 15.4 C16H12N2O2Cl2 335.0349 C15H11Cl2N2 289.0294 C14H12ClN2 243.0683 - - 213 LOSARTAN 15.8 C22H23N6OCl 423.1695 C14H11N2 207.0917 C8H12ClN2 171.0683 C14H11N4 235.097823 214 LSD 10.7 C20H25N3O 324.2070 C15H15N2 223.1230 C18H21N2O 281.1648 C13H13N2 197.1073 215 m-CPP 9.3 C10H13N2Cl 197.0840 C8H9ClN 154.0418 C7H7ClN 140.0261 - - 216 MALATHION 17.9 C10H19O6PS2 331.0433 C4H3O3 99.0077 C2H6O2PS 124.9821 - - 217 MAPROTILINE 13.5 C20H23N 278.1903 C18H20N 250.1590 C17H15 219.1168 C9H9 117.0699 218 MBDB 8.4 C12H17NO2 208.1332 C8H7O2 135.0441 C9H11 119.0855 - - 219 MDA 6.2 C10H13NO2 180.1019 C8H7O2 135.0441 C10H11O2 163.0754 - - 220 MDDMA 7.1 C12H17NO2 208.1332 C8H7O2 135.0441 C10H11O2 163.0754 C9H9O 133.0648 221 MDEA 7.7 C12H17NO2 208.1332 C8H7O2 135.0441 C8H9 105.0699 C9H9O 133.0648 222 MDMA 6.9 C11H15NO2 194.1176 C8H7O2 135.0441 C10H11O2 163.0754 C10H11O2 163.0754 223 MDPV 9.7 C16H21NO3 276.1594 C8H5O3 149.0233 C8H16N 126.1277 C8H7O2 135.0441

224 MECLOZINE 16.4 C25H27N2Cl 391.1935 C13H10Cl 201.0465 - - - - 225 MEDAZEPAM 11.9 C16H15N2Cl 271.0996 C15H13ClN 242.0731 C9H9ClN2 180.0449 - - 226 MEFLOQUINE 16.3 C17H16N2OF6 379.1240 C17H15F6N2 361.1134 - - - - 227 MELATONIN 12.2 C13H16N2O2 233.1284 C11H12NO 174.0913 C10H9NO 159.0679 C9H9N 131.0729 228 MELOXICAM 16.7 C14H13N3S2O4 352.0420 C4H7N2S 115.0324 C5H5N2OS 141.0117 - - 229 MELPERONE 10.3 C16H22NOF 264.1758 C10H10FO 165.0710 C7H4FO 123.0241 - - 230 MEMANTINE 11.1 C12H21N 180.1747 C12H19 163.1481 C8H11 107.0855 C9H13 121.1012 231 MEOPP 5.7 C11H16N2O 193.1335 C9H12NO 150.0913 C8H10NO 136.0757 C11H14NO 176.1070 232 MEPIVACAINE 7.5 C15H22N2O 247.1805 C6H12N 98.0964 C9H12NO 150.0913 - - 233 MEPYRAMINE 10.5 C17H23N3O 286.1914 C8H9O1 121.0648 C15H17N2O1 241.1335 - - 234 MESCALINE 6.4 C11H17NO3 212.1281 C11H15O3 195.1016 C9H9O3 165.0546 C8H9O2 137.0597 235 MESORIDAZINE 12.6 C21H26N2OS2 387.1559 C20H24N2OS2 372.1325 C14H12NOS2 274.0355 C11HNOS2 226.9494 236 METHADONE 13.5 C21H27NO 310.2165 C19H21O 265.1587 C16H15O 223.1117 C7H5O 105.0335 237 METHAMPHETAMINE 5.7 C10H15N 150.1277 C7H7 91.0542 C9H11 119.0855 - - 238 METHAQUALONE 15.6 C16H14N2O 251.1179 C9H9N2O 161.0709 C7H6NO 120.0444 C9H6NO 144.0444 239 METHCATHINONE 3.8 C10H13NO 164.1070 C10H12N 146.0964 C8H9 105.0699 C8H9 105.0699 240 METHOCARBAMOL 10.7 C11H15NO5 242.1023 C7H6O2 122.0362 C10H11O2 163.0754 - - 241 METHOXYPHENAMINE 8.1 C11H17NO 180.1383 C8H9O 121.0648 C7H7 91.054227 C10H13O 149.0961 242 METHYLEPHEDRINE 3.9 C11H17NO 180.1383 C10H13N 147.1042 C11H16N 162.1277 C9H9 117.0699 243 METHYLPHENIDATE 8.8 C14H19NO2 234.1489 C5H10N 84.0808 C12H16N 174.1277 - - 244 METOCLOPRAMINE 9.0 C14H22N3O2Cl 300.1473 C10H12ClN2O2 227.0582 C8H7ClNO2 184.0160 C9H9ClN2O2 212.0347 245 METOLAZONE 12.8 C16H16N3SO3Cl 366.0674 C9H8ClN2O3S 258.9939 - - - - 246 METOPROLOL 9.4 C15H25NO3 268.1907 C8H9O 121.0648 C11H11O 159.0804 C6H14NO 116.1070 247 METRONIDAZOL 5.2 C6H9N3O3 172.0717 C4H6N3O2 128.0454 - - - - 248 MEXILETINE 9.6 C11H17NO 180.1383 - - - - - - 249 MIANSERINE 11.6 C18H20N2 265.1699 C15H14N 208.1121 C16H16N 222.1277 C10H13N2 161.1073 250 MIDAZOLAM 12.1 C18H13N3ClF 326.0855 C14H8ClFN 244.0324 C16H11ClFN2 285.0589 C15H10ClFN 258.0480 251 MILNACIPRAN 10.3 C15H22N2O 247.1805 C15H20NO 230.1539 C10H11 131.0855 C5H10NO 100.0757 252 MINOXIDIL 8.0 C9H15N5O 210.1349 C7H10N5 164.0931 C6H8NO 110.0600 C8H12N5 178.1087 253 MIRTAZAPINE 9.0 C17H19N3 266.1652 C13H11N2 195.0917 C14H13N2 209.1073 C15H15N2 223.1230 254 MIZOLASTINE 13.3 C24H25N6OF 433.2147 C19H19FN3 308.1557 C7H6F 109.0448 C6H9N6 165.0883 255 MOCLOBLEMIDE 7.9 C13H17N2O2Cl 269.1051 C9H9ClNO 182.0367 C7H4ClO 138.9945 - - 256 MOLINDONE 8.9 C16H24N2O2 277.1910 C5H10NO 100.0757 - - - - 257 MOPERONE 12.5 C22H26NO2F 356.2020 C10H10FO 165.0710 C22H25FNO 338.1915 C7H4FO 123.0241 258 MORPHINE 1.9 C17H19NO3 286.1438 C14H13O3 229.0859 C13H13O2 201.0910 - - 259 N-ETHYLAMPHETAMINE 7.0 C11H17N 164.1434 C7H7 91.0542 - - - - 260 N-PROPYLAMPHETAMINE 8.5 C12H19N 178.1590 C7H7 91.0542 - - - - 261 NALORPHINE 4.2 C19H21NO3 312.1594 C14H13O3 229.0859 - - - -

262 NALOXONE 5.1 C19H21NO4 328.1543 C19H20NO3 310.1438 C16H15NO2 253.1097 - - 263 NALTREXONE 6.1 C20H23NO4 342.1700 C20H22NO3 324.1594 C17H17NO2 267.1254 C16H16NO3 270.1125 264 NAPHAZOLINE 8.7 C14H14N2 211.1230 C11H9 141.0699 C12H10N 168.0808 - - 265 NICOTINE 1.3 C10H14N2 163.1230 C8H7N 117.0573 C9H10N 132.0808 C7H8N 106.0651 266 NIFEDIPINE 16.8 C17H18N2O6 347.1238 C12H16NO5 254.1023 C16H15N2O5 315.0975 C10H14NO4 212.0917 267 NIKETHAMIDE 9.1 C10H14N2O 179.1179 C6H6NO 108.0444 C8H11N2O 151.0866 C7H7N2O 135.0553 268 NITRAZEPAM 14.9 C15H11N3O3 282.0873 - - - - - - 269 NIZATIDINE 2.3 C12H21N5S2O2 332.1209 C5H11N2S 131.0637 C7H10N2S 154.0559 C11H19N4S2 271.1046 270 NMT 7.5 C11H14N2 175.1230 C10H9N 143.0729 C11H12N 158.0964 C9H10N 132.0808 271 NOMIFENSINE 9.2 C16H18N2 239.1543 C14H14N 196.1121 C13H11N 181.0886 C8H8N 118.0651 272 NORBUPRENORPHINE 11.1 C25H35NO4 414.2639 - - - - - - 273 NORCHLORPROTHIXENE 15.3 C17H16NSCl 302.0765 C13H8ClS 231.0030 C16H12ClS 271.0343 C14H10ClS 245.0186 274 NORCITALOPRAM 12.6 C19H19N2OF 311.1554 C18H13FN 262.1026 C7H6F 109.0448 C17H10FN 247.0792 275 NORCLOMIPRAMINE 15.3 C18H21N2Cl 301.1466 C15H13ClN 242.0731 C17H17ClN 270.1044 C16H14N 220.1121 276 NORCODEINE 4.2 C17H19NO3 286.1438 C17H18NO2 268.1332 C15H15O3 243.1016 - - 277 NORDIAZEPAM 15.4 C15H11N2OCl 271.0633 C7H7ClN 140.0261 C14H12ClN2 243.0683 C8H6ClN2 165.0214 278 NORDOXEPIN 12.6 C18H19NO 266.1539 C7H7O 107.0491 C17H15O 235.1117 C16H12O 220.0883 279 NORFENTANYL 8.2 C14H20N2O 233.1648 C9H12NO 150.0913 - - - - 280 NORLEVOMEPROMAZINE 14.6 C18H22N2OS 315.1526 C13H11NOS 229.0556 C14H12NOS 242.0634 C17H18NOS 284.1104 281 NORMETHADONE 13.2 C20H25NO 296.2009 C18H19O 251.1430 C16H15O 223.1117 C15H15 195.1168 282 NORMIANSERINE 11.7 C17H18N2 251.1543 C15H14N 208.1121 C8H10N 120.0808 C9H10N 132.0808 283 NORMORPHINE 1.5 C16H17NO3 272.1281 C14H13O3 229.0859 - - - - 284 NORORPHENADRINE 12.7 C17H21NO 256.1696 C13H10 166.0777 C14H13 181.1012 C11H9 141.0699 285 NOROXYCODONE 5.9 C17H19NO4 302.1387 C17H18NO3 284.1281 C14H13NO2 227.0941 C15H16NO2 242.1175 286 NORPROMAZINE 13.6 C16H18N2S 271.1263 C12H9NS 199.0450 C13H10NS 212.0528 C15H14NS 240.0841 287 NORTRAMADOL 9.1 C15H23NO2 250.1802 - - - - - - 288 NORTRIMIPRAMINE 14.3 C19H24N2 281.2012 C15H14N 208.1121 C14H14N 196.1121 C18H20N 250.1590 289 NORTRIPTYLINE 13.9 C19H21N 264.1747 C18H17 233.1325 C17H14 218.1090 C9H9 117.0699 290 NORVENLAFAXINE 10.4 C16H25NO2 264.1958 C15H19O 215.1430 - - - - 291 NORVERAPAMIL 13.8 C26H36N2O4 441.2748 C10H13O2 165.0910 C17H25N2O2 289.1910 C16H22NO2 260.1645 292 NOSCAPINE 10.9 C22H23NO7 414.1547 C12H14NO3 220.0968 C20H17O6 353.1020 C21H17O6 365.1020 293 O-DESMETHYLDINORTRAMADOL 6.2 C13H19NO2 222.1489 C13H18NO 204.1383 - - - - 294 O-DESMETHYLTRAMADOL 6.4 C15H23NO2 250.1802 C14H22NO2 236.1645 - - - - 295 O-DESMETHYLVENLAFAXINE 8.0 C16H25NO2 264.1958 C7H7O 107.0491 - - - - 296 OLANZAPINE 5.8 C17H20N4S 313.1481 C14H14N3S 256.0903 C12H9N2S 213.0481 C16H16N3S 282.1059 297 ONDANCETRON 10.7 C18H19N3O 294.1601 C12H12N 170.0964 C13H14N 184.1121 C14H14NO 212.1070 298 OPIPRAMOL 13.2 C23H29N3O 364.2383 C9H19N2O 171.1492 C7H15N2O 143.1179 C15H12N 206.0964 299 ORPHENADRINE 12.8 C18H23NO 270.1852 C13H10 166.0777 C14H13 181.1012 C11H9 141.0699

300 OXAZEPAM 14.5 C15H11N2O2Cl 287.0582 C13H12ClN2 231.0683 C14H10ClN2 241.0527 C15H10ClN2O 269.0476 301 OXCARBAZEPINE 12.7 C15H12N2O2 253.0971 C13H10NO 196.0757 C14H12NO 210.0913 C13H12N 182.0964 302 OXPRENOLOL 10.6 C15H23NO3 266.1751 C6H14NO 116.1070 C11H16NO3 210.1125 C8H9 105.0699 303 OXYCODONE 6.0 C18H21NO4 316.1543 C18H20NO3 298.1438 C15H15NO2 241.1097 C16H18NO2 256.1332 304 OXYMORPHONE 2.2 C17H19NO4 302.1387 C17H18NO3 284.1281 C14H13NO2 227.0941 C15H16NO2 242.1175 305 OXYPERTINE 12.2 C23H29N3O2 380.2332 C11H15N2 175.1230 C13H16NO2 218.1175 C9H10N 132.0808 306 OXYPHENCYCLIMINE 13.2 C20H28N2O3 345.2173 C6H13N2O 129.1022 C13H17O 189.1274 C20H27N2O2 327.2067 307 P-HYDROXYMESOCARB 14.3 C18H18N4O3 339.1452 C9H9N2O3 193.0608 C7H7N2O 135.0553 C7H7 91.0542 308 P-FLUOROFENTANYL 12.0 C22H27N2OF 355.2180 C13H17FN 206.1339 C8H8F 123.0604 C9H11FN 152.0870 309 PARACETAMOL 4.8 C8H9NO2 152.0706 C6H8NO 110.0600 - - - - 310 PAROXETINE 14.1 C19H20NO3F 330.1500 C12H15FN 192.1183 C11H12F 163.0917 C8H7O3 151.0390 311 PENTAZOCINE 10.6 C19H27NO 286.2165 C14H20NO 218.1539 C12H15O 175.1117 C11H11O 159.0804 312 PENTIFYLLINE 17.1 C13H20N4O2 265.1659 C6H8N3O 138.0656 C7H9N4O2 181.0721 C5H8N3 110.0713 313 PENTOXIVERINE 13.6 C20H31NO3 334.2377 C6H14N 100.1119 C11H13 145.1008 C14H17O2 217.1223 314 PENTOXYFYLLINE 11.9 C13H18N4O3 279.1452 C7H9N4O2 181.0720 C6H8N3O 138.0662 C8H9N4O2 193.0720 315 PERPHENAZINE 15.3 C21H26N3SOCl 404.1558 C9H19N2O 171.1492 C7H15N2O 143.1179 C13H9ClNS 246.0139 316 PETHIDINE 9.5 C15H21NO2 248.1645 C13H18NO2 220.1332 C12H16N 174.1277 C13H16NO 202.1226 317 PHENACETIN 11.9 C10H13NO2 180.1019 C6H8NO 110.0600 C8H12NO 138.0913 C8H10NO2 152.0706 318 PHENAZOCINE 11.7 C22H27NO 322.2165 C12H15O 175.1117 C11H11O 159.0805 C8H9 105.0699 319 PHENAZONE 9.7 C11H12N2O 189.1022 C9H11N2 147.0917 C7H8N 106.0651 C10H13N2 161.1073 320 PHENCYCLIDINE 10.5 C17H25N 244.2060 C7H7 91.0542 C5H12N 86.0964 C12H15 159.1168 321 PHENDIMETRAZINE 5.8 C12H17NO 192.1383 C10H14N 148.1121 C9H11N 133.0886 C9H9 117.0699 322 PHENIRAMINE 7.6 C16H20N2 241.1699 C14H14N 196.1121 C12H10N 168.0808 - - 323 PHENMETRAZINE 5.6 C11H15NO 178.1226 C9H12N 134.0964 C 9 H 9 117.0699 C7H7 91.0542 324 PHENTOLAMINE 10.4 C17H19N3O 282.1601 C14H14NO 212.1070 - - - - 325 PHENYLBUTAZONE 17.3 C19H20N2O2 309.1597 C13H11N2O 211.0866 C7H6NO 120.0444 C11H16N 162.1277 326 PHENYLPROPANOLAMINE 2.3 C9H13NO 152.1070 C9H12N 134.0964 C8H9N 119.0729 - - 327 PHENYTOIN 13.3 C15H12N2O2 253.0971 C13H12N 182.0964 C7H6N 104.0495 - - 328 PHOLCODINE 1.2 C23H30N2O4 399.2278 C9H16N2O3 200.1155 C6H12NO 114.0913 C23H29N2O3 381.2173 329 PILOCARPINE 2.2 C11H16N2O2 209.1284 C5H8N2 96.0682 - - - - 330 PIMOZIDE 15.6 C28H29N3OF2 462.2351 C21H24F2N 328.1871 - - - - 331 PINDOLOL 7.9 C14H20N2O2 249.1597 C8H8NO 134.0600 C6H14NO 116.1070 C11H10NO 172.0757 332 PIOGLITAZONE 12.7 C19H20N2O3S 357.1267 - - - - - - 333 PIPRADROL 9.9 C18H21NO 268.1696 C18H20N1 250.1590 C12H14N 172.1121 C13H11 167.0855 334 PIRMENOL 10.0 C22H30N2O 339.2431 C8H16N 126.1277 C15H14N 208.1121 C10H11O 147.0804 335 PITOFENONE 11.3 C22H25NO4 368.1856 C7H14N 112.1121 C9H7O3 163.0390 C16H11O3 251.0703 336 PIZOTIFEN 13.2 C19H21NS 296.1467 C13H11S 199.0576 C17H17S 253.1045 C15H13S 225.0732 337 PMA 6.8 C10H15NO 166.1226 C8H9O 121.0648 C10H13O 149.0961 C7H7 91.0542

338 PMMA 7.3 C11H17NO 180.1383 C8H9O 121.0648 C10H13O 149.0961 C9H10O 134.0726 339 PRACTOLOL 5.2 C14H22N2O3 267.1703 C10H12NO2 178.0862 C9H10NO 148.0757 C11H12NO2 190.0862 340 PRAZEPAM 18.0 C19H17N2OCl 325.1102 C15H12ClN2O 271.0633 C15H12ClN2 255.0683 C17H15ClN 268.0887 341 PRAZOSIN 11.5 C19H21N5O4 384.1666 C12H15N4O2 247.1189 C7H8NO2 138.0549 C19H20N5O3 366.1561 342 PRILOCAINE 7.7 C13H20N2O 221.1648 C5H12N 86.0964 C8H10NO 136.0757 - - 343 PRIMIDONE 9.8 C12H14N2O2 219.1128 C10H12NO 162.0913 - - - - 344 PROADIFEN 15.4 C23H31NO2 354.2428 C13H11 167.0855 C8H9 105.0699 C16H17 209.1325 345 PROCAINAMIDE 2.3 C13H21N3O 236.1757 C7H6NO 120.0444 C9H11N2O 163.0866 - - 346 PROCHLORPERAZINE 16.0 C20H24N3SCl 374.1452 C13H9ClNS 246.0139 C15H13ClNS 274.0452 C12H8ClNS 233.0060 347 PROGUANIL 11.6 C11H16N5Cl 254.1167 C7H9ClN3 170.0479 C7H6ClN2 153.0214 C6H7ClN 128.0261 348 PROLINTANE 10.1 C15H23N 218.1903 C7H7 91.0542 C8H9 105.0699 C12H11 155.0855 349 PROMAZINE 13.6 C17H20N2S 285.1420 C13H10NS 212.0528 C12H9NS 199.0450 C15H14NS 240.0841 350 PROMETHAZINE 12.8 C17H20N2S 285.1420 C12H8NS 198.0372 C15H14NS 240.0841 C14H11NS 225.0607 351 PROPAFENONE 14.1 C21H27NO3 342.2064 C6H14NO 116.1070 C6H12N 98.0964 C18H17O2 265.1223 352 PROPANTHELINE 13.5 C23H30NO3 368.2220 C13H9O 181.0648 C20H24N 326.1751 C6H14N 100.1121 353 PROPRANOLOL 12.4 C16H21NO2 260.1645 C11H9O 157.0648 C13H11O 183.0804 C6H14NO 116.1070 354 PROPYPHENAZONE 14.3 C14H18N2O 231.1492 C11H13N2O 189.1022 C12H13N2O 201.1022 C7H14N 112.1121 355 PROQUAZONE 17.4 C18H18N2O 279.1492 C15H13N2O 237.1022 C9H7N2O 159.0553 C15H11N2 219.0917 356 PROXYPHYLLINE 9.1 C10H14N4O3 239.1139 C7H9N4O2 181.0720 C7H8O2 124.0505 C10H13N4O2 221.1033 357 PSEUDOEPHEDRINE 3.6 C10H15NO 166.1226 C9H11N1 133.0886 C10H14N 148.1121 C7H7 91.0542 358 QUETIAPINE 11.7 C21H25N3O2S 384.1740 C15H13N2S 253.0794 C17H15N2S 279.0950 C13H8NS 210.0372 359 QUINIDINE 9.3 C20H24N2O2 325.1910 C20H23N2O 307.1805 C10H10NO 160.0757 C16H17N2O 253.1335 360 QUININE 9.6 C20H24N2O2 325.1910 C20H23N2O 307.1805 C10H10NO 160.0757 C16H17N2O 253.1335 361 RAMIPRIL 14.6 C23H32N2O5 417.2384 C14H20NO2 234.1488 C20H27N2O3 343.20162 C8H14NO2 156.1019 362 RANITIDINE 3.5 C13H22N4SO3 315.1485 C6H5OS 125.0056 C4H8NS 102.0372 C11H16N2OS 224.0978 363 REBOXETINE 12.4 C19H23NO3 314.1751 C11H14NO 176.1070 C7H7 91.0542 C10H12N 146.0964 364 REMIFENTANYL 9.8 C20H28N2O5 377.2071 C11H18NO4 228.1230 C6H9O2 113.0597 C15H21N2O2 261.1597 365 REMOXIPRIDE 9.7 C16H23N2O3Br 371.0965 C9H8BrO3 242.9651 C8H5BrO3 227.9417 - - 366 REPAGLINIDE 18.2 C27H36N2O4 453.2748 C16H24N 230.1903 C11H16N 162.1277 C16H22NO4 292.1543 367 RISPERIDONE 11.2 C23H27N4O2F 411.2191 C8H16FN2O2 191.1190 - - - - 368 RITALINIC ACID 8.0 C13H17NO2 220.1332 C12H16N 174.1277 C5H10N 84.0808 - - 369 RIVASTIGMINE 9.2 C14H22N2O2 251.1754 C11H12NO 174.0913 C12H16NO2 206.1175 C10H9NO 159.0679 370 ROPIVACAINE 9.5 C17H26N2O 275.2118 C8H16N 126.1277 - - - - 371 ROSIGLITAZONE 10.1 C18H19N3O3S 358.1220 C8H11N2 135.0917 - - - - 372 SALBUTAMOL 3.6 C13H21NO3 240.1594 C9H10NO 148.0757 C8H9O1 121.0648 C13H20NO2 222.1488 373 SALICYLAMIDE 9.3 C7H7NO2 138.0550 C7H5O2 121.0284 - - - - 374 SALMETEROL 14.7 C25H37NO4 416.2795 C25H36NO3 398.2690 C25H34NO2 380.2584 C15H22NO 232.1696 375 SCOPOLAMINE 5.6 C17H21NO4 304.1543 C8H12NO 138.0913 C8H14NO2 156.1019 C8H9O 121.0648

376 SELEGILINE 7.6 C13H17N 188.1434 C7H7 91.0542 - - - - 377 SERTINDOLE 16.1 C24H26N4OClF 441.1852 C21H21ClFN2 355.1372 - - - - 378 SERTRALINE 14.7 C17H17NCl2 306.0811 C7H5Cl2 158.9763 C10H9 129.0699 C16H13Cl2 275.0389 379 SIBUTRAMINE 14.2 C17H26ClN 280.1826 C7H6Cl 125.0152 C8H8Cl 139.0309 C11H12Cl 179.0622 380 SILDENAFIL 13.9 C22H30N6O4S 475.2122 - - - - - - 381 SITAGLIPTIN 10.5 C16H15F6N5O 408.1254 C8H11F6N 235.0790 - - - - 382 SOTALOL 3.4 C12H20N2SO3 273.1267 C9H13N2O2S 213.0692 C12H19N2O2S 255.1162 - - 383 SUFENTANIL 12.7 C22H30N2O2S 387.2101 C13H20NOS 238.1260 C21H27N2OS 355.1839 C6H7S 111.0263 384 SULINDAC 17.4 C20H17SO3F 357.0955 C19H15FO3S 342.0720 C18H14FOS 297.0744 - - 385 SULPIRIDE 4.9 C15H23N3SO4 342.1482 C8H8NO4S 214.01685 - - - - 386 SULTHIAME 9.1 C10H14N2S2O4 291.0468 C10H12NO4S2 274.0202 - - - - 387 SUMATRIPTAN 6.6 C14H21N3O2S 296.1427 C12H15N2O2S 251.0849 C13H17N2 201.1386 - - 388 TADALAFIL 15.7 C22H19N3O4 390.1448 C15H14N3O2 268.1080 C14H14N3O 240.1131 C8H7O2 135.0441 389 TEMAZEPAM 15.3 C16H13N2O2Cl 301.0738 C15H12ClN2 255.0683 C14H11ClN 228.0574 C14H14ClN2 245.0840 390 TERBUTALINE 3.6 C12H19NO3 226.1438 C8H10NO2 152.0706 C7H9O2 125.0597 C7H7O 107.0491 391 TERFENADINE 16.1 C32H41NO2 472.3210 C32H40NO 454.3104 C32H38N 436.2999 - - 392 TERODILINE 13.8 C20H27N 282.2216 C13H11 167.0855 C8H9 105.0699 C10H11 131.0855 393 TETRACAINE 11.7 C15H24N2O2 265.1910 C11H14NO 176.1070 C13H18NO2 220.1332 C7H6NO 120.0444 394 TETRYZOLINE 7.0 C13H16N2 201.1386 C10H11 131.0855 C11H13N2 173.1073 - - 395 THEOBROMINE 5.5 C7H8N4O2 181.0720 C6H8N3O 138.0662 - - - - 396 THEOPHYLLINE 7.3 C7H8N4O2 181.0720 C5H6N3O 124.0505 - - - - 397 THIORIDAZINE 15.8 C21H26N2S2 371.1610 C14H12NS2 258.0406 C13H11NS2 245.0327 - - 398 TIAGABINE 14.2 C20H25NO2S2 376.1399 C14H15S2 247.0610 C15H20NO2S 278.1209 C9H9S 149.0419 399 TILIDINE 9.5 C17H23NO2 274.1802 C12H11 155.0855 C10H9 129.0699 C9H11 119.0855 400 TIMOLOL 9.6 C13H24N4O3S 317.1642 C6H10N3O2S 188.0488 C9H17N4O3S 261.1016 C9H14N3O3S 244.0750 401 TINIDAZOLE 8.1 C8H13N3SO4 248.0699 C5H8N2S 128.0403 - - - - 402 TIOTIXENE 15.0 C23H29N3S2O2 444.1774 C18H18NO2S2 344.0773 C15H14NO2S2 304.0460 C21H25N2O2S2 401.1352 403 TIZANIDINE 3.5 C9H8N5SCl 254.0262 - - - - - - 404 TOLBUTAMIDE 15.1 C12H18N2O3S 271.1111 C7H7 91.0542 C7H7O2S 155.0161 - - 405 TOREMIFENE 16.7 C26H28NOCl 406.1932 C24H22ClO 361.1354 - - - - 406 TRAMADOL 8.9 C16H25NO2 264.1958 - - - - - - 407 TRANS-3-METHYLFENTANYL 12.2 C23H30N2O 351.2431 C14H20N 202.1590 C8H9 105.0699 C9H12N 134.0964 408 TRAZODONE 11.3 C19H22N5OCl 372.1586 C8H15ClNO 176.0837 C6H11ClNO 148.0524 C13H18ClN2 237.1153 409 TRIAMTERENE 8.4 C12H11N7 254.1149 C12H9N6 237.0883 C11H10N5 212.0931 C11H7N4 195.0665 410 TRIAZOLAM 15.1 C17H12N4Cl2 343.0512 C16H11Cl2N3 315.0324 - - - - 411 TRIMEPRAZINE 13.9 C18H22N2S 299.1576 C13H10NS 212.0528 C16H16NS 254.0998 C6H3N2S 135.0011 412 TRIMETHOPRIM 7.5 C14H18N4O3 291.1452 C12H13N4O3 261.0982 C14H16NO2 230.1175 C5H7N4 123.0665 413 TRIMIPRAMINE 14.2 C20H26N2 295.2169 C15H14N 208.1121 C6H14N 100.1121 C18H20N 250.1590