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NCBI Name Molecular Formula Monoisotopic Mass Of monoisotopic mass of NCBI name molecular formula CAS number NCBI CID precursor ion 1-(2-thiazolylazo)-2-naphthol C13 H9N3OS 256.0539 1147-56-4 6308684 1,1-diphenyl-1-methoxy-3-benzylaminopropane C23 H25 NO 332.2008 14089-87-3 187770 11-hydroxy-delta(9)-tetrahydrocannabinol C21 H30 O3 331.2267 36557-05-8 37482 phenicarbazide C7H9N3O 152.0818 103-03-7 61002 2,5-diphenyloxazole C15 H11 NO 222.0913 92-71-7 7105 cathinone C9H11 NO 150.0913 71031-15-7 107786 3,5-dichloroaniline C6H5Cl 2N 161.9871 95-76-1 7257 4-amino-2-nitrotoluene C7H8N2O2 153.0658 119-32-4 8390 4-methoxyazobenzene C13 H12 N2O 213.1022 2396-60-3 16966 5-chloro-8-hydroxyquinoline C9H6ClNO 180.0210 130-16-5 2817 acetylcodeine C20 H23 NO 4 342.1699 6703-27-1 631066 6-o-monoacetylmorphine C19 H21 NO 4 328.1543 2784-73-8 5462507 7-aminoflunitrazepam C16 H14 FN 3O 284.1194 34084-50-9 92294 8-chlorotheophylline C7H7ClN 4O2 215.0330 85-18-7 10661 acebutolol C18 H28 N2O4 337.2121 37517-30-9 1978 acenocoumarol C19 H15 NO 6 354.0972 152-72-7 9052 acetazolamide C4H6N4O3S2 222.9954 59-66-5 1986 acetohexamide C15 H20 N2O4S 325.1216 968-81-0 1989 acetylsulfamethoxypyridazine C13 H14 N4O4S 323.0808 3568-43-2 19122 N(4)-acetylsulfisoxazole C13 H15 N3O4S 310.0856 4206-74-0 160743 acyclovir C8H11 N5O3 226.0934 59277-89-3 2022 adenosine C10 H13 N5O4 268.1040 58-61-7 60961 vidarabine C10 H13 N5O4 268.1040 5536-17-4 21704 epinephrine C9H13 NO 3 184.0968 51-43-4 5816 aethiazidum C9H12 ClN 3O4S2 326.0030 1824-58-4 15763 ajmaline C20 H26 N2O2 327.2067 4360-12-7 20367 allopurinol C5H4N4O 137.0457 315-30-0 2094 aloin C21 H22 O9 419.1336 1415-73-2 313325 alprazolam C17 H13 ClN 4 309.0901 28981-97-7 2118 amantadine C10 H17 N 152.1433 768-94-5 2130 ambroxol C13 H18 Br 2N2O 376.9858 18683-91-5 2132 + ambutonium C20 H27 N2O 311.2117 14007-49-9 8277 amidephrine C10 H16 N2O3S 245.0954 37571-84-9 15010 amiloride C6H8ClN 7O 230.0551 2609-46-3 16231 aminocarb C11 H16 N2O2 209.1284 2032-59-9 16247 aminopyrine C13 H17 N3O 232.1444 58-15-1 6009 sultopride C17 H27 N3O4S 370.1795 71675-85-9 2159 amitraz C19 H23 N3 294.1964 33089-61-1 36324 amitrole C2H4N4 85.0508 61-82-5 1639 amlodipine C20 H25 ClN 2O5 409.1524 88150-42-9 2162 amoxicillin C16 H19 N3O5S 366.1118 26787-78-0 33613 amphetamine C9H13 N 136.1120 300-62-9 3007 amytriptyline C20 H23 N 278.1903 50-48-6 2160 antazoline C17 H19 N3 266.1651 91-75-8 2200 aprindine C22 H30 N2 323.2481 37640-71-4 2218 arginine C6H14 N4O2 175.1189 7200-25-1 232 aripiprazole C23 H27 Cl 2N3O2 448.1553 129722-12-9 60795 carticaine C13 H20 N2O3S 285.1267 23964-58-1 32170 astemizole C28 H31 FN 4O 459.2554 68844-77-9 2247 atenolol C14 H22 N2O3 267.1703 29122-68-7 2249 atomoxetine C17 H21 NO 256.1695 82248-59-7 54841 atrazine C8H14 ClN 5 216.1010 1912-24-9 2256 deethylatrazine C6H10 ClN 5 188.0697 6190-65-4 22563 6-deisopropylatrazine C5H8ClN 5 174.0540 1007-28-9 13878 atropine C17 H23 NO 3 290.1750 51-55-8 174174 azathioprine C9H7N7O2S 278.0454 446-86-6 2265 azidoamphenicol C11 H13 N5O5 296.0989 13838-08-9 62858 azintamide C10 H14 ClN 3OS 260.0618 1830-32-6 71105 mesoranil C7H11 N7S 226.0869 4658-28-0 3032472 azithromycin C38 H72 N2O12 749.5158 83905-01-5 447043 baclofen C10 H12 ClNO 2 214.0629 1134-47-0 2284 bamethan C12 H19 NO 2 210.1488 3703-79-5 2292 sulfameter C11 H12 N4O3S 281.0702 651-06-9 5326 beclomethasonedipropionate C28 H37 ClO 7 521.2300 5534-09-8 21700 benactyzine C20 H25 NO 3 328.1907 302-40-9 9330 benserazide C10 H15 N3O5 258.1084 322-35-0 2327 bezafribrate C19 H20 ClNO 4 362.1153 41859-67-0 39042 benzocaine C9H11 NO 2 166.0862 94-09-7 2337 benzoctamine C18 H19 N 250.1590 17243-39-9 28425 benzoylecgonine C16 H19 NO 4 290.1387 519-09-5 2340 benztropine C21 H25 NO 308.2008 86-13-5 238053 benzopenicillin C16 H18 N2O4S 335.1060 61-33-6 2349 betahistine C8H12 N2 137.1073 5638-76-6 2366 + bethanechol C7H17 N2O2 161.1284 674-38-4 2370 benzidine C12 H12 N2 185.1073 92-87-5 7111 biotin C10 H16 N2O3S 245.0954 58-85-5 171548 biperiden C21 H29 NO 312.2321 514-65-8 2381 bisacodyl C22 H19 NO 4 362.1386 603-50-9 2391 bibentiamine C38 H42 N8O6S2 771.2741 2667-89-2 3034022 bisoprolol C18 H31 NO 4 326.2325 66722-44-9 2405 bornaprine C21 H31 NO 2 330.2427 20448-86-6 30160 bromacil C9H13 BrN 2O2 261.0233 314-40-9 9411 bromazepam C14 H10 BrN 3O 316.0079 1812-30-2 2441 brompheniramine C16 H19 BrN 2 319.0804 86-22-6 6834 brotizolam C15 H10 BrClN4S 392.9570 57801-81-7 2451 budesonide C25 H34 O6 431.2428 51333-22-3 5281004 bufexamac C12 H17 NO 3 224.1281 2438-72-4 2466 buflomedil C17 H25 NO 4 308.1856 55837-25-7 2467 bufotenin C12 H16 N2O 205.1335 487-93-4 10257 bumetanide C17 H20 N2O5S 365.1165 28395-03-1 2471 bunitrolol C14 H20 N2O2 249.1597 34915-68-9 2473 nylidrin C19 H25 NO 2 300.1958 447-41-6 4567 bupranolol C14 H22 ClNO 2 272.1411 14556-46-8 2475 buprenorphine C29 H41 NO 4 468.3108 52485-79-7 5311033 buspirone C21 H31 N5O2 386.2550 36505-84-7 2477 butacaine C18 H30 N2O2 307.2380 149-16-6 2480 brospamin C18 H29 NO 3 308.2220 18109-80-3 28892 butetamate C16 H25 NO 2 264.1958 14007-64-8 27368 butizide C11 H16 N3O4S2Cl 354.0343 2043-38-1 16274 butoxycarboxime C7H14 N2O4S 223.0747 34681-23-7 9571009 buturon C12 H13 ClN 2O 237.0789 3766-60-7 19587 butamben C11 H15 NO 2 194.1175 94-25-7 2482 + butylscopolammonium C21 H30 NO 4 360.2169 7182-53-8 452294 cabergoline C26 H37 N5O2 452.3020 81409-90-7 54746 norephendrinetheophylline C18 H23 N5O3 358.1873 58166-83-9 71740 candesartan C24 H20 N6O3 441.1669 139481-59-7 2541 candesartan cilexetil C33 H34 N6O6 611.2612 145040-37-5 2540 cannabidiol C21 H30 O2 315.2318 13956-29-1 644019 Cannabinol C21 H26 O2 311.2005 521-35-7 2543 carazolol C18 H22 N2O2 299.1754 57775-29-8 71739 carbamazepine C15 H12 N2O 237.1022 298-46-4 2554 carbidopa C10 H14 N2O4 227.1026 28860-95-9 34359 carbimazole C7H10 N2O2S 187.0535 22232-54-8 31072 carbinoxamine C16 H19 ClN 2O 291.1258 486-16-8 2564 chromonar C20 H27 NO 5 362.1961 804-10-4 12604 caroverine C22 H27 N3O2 366.2176 23465-76-1 65709 carvedilol C24 H26 N2O4 407.1965 72956-09-3 2585 cefaclor C15 H14 ClN 3O4S 368.0466 53994-73-3 40958 cefadroxil C16 H17 N3O5S 364.0961 50370-12-2 2610 celecoxib C17 H14 F3N3O2S 382.0831 169590-42-5 2662 celiprolol C20 H33 N3O4 380.2543 56980-93-9 2663 cephalexin C16 H17 N3O4S 348.1012 15686-71-2 27447 cephaloridine C19 H17 N3O4S2 416.0733 50-59-9 5773 + cethylpyridinium C21 H38 N 304.2998 7773-52-6 2683 cetirizine C21 H25 ClN 2O3 389.1626 83881-51-0 2678 + cetrimonium C19 H42 N 284.3311 6899-10-1 5974 quinidine C20 H24 N2O2 325.1910 56-54-2 5953 quinomethionate C10 H6N2OS 2 234.9994 2439-01-2 17109 chloramphenicol 4-morpholineacetate C17 H21 Cl 2N3O7 450.0829 98145-68-7 3062470 chlorbromuron C9H10 BrClN 2O2 292.9686 13360-45-7 25912 chlordiazepoxide C16 H14 ClN 3O 300.0898 58-25-3 2712 chlorhexidine C22 H30 Cl 2N10 505.2104 55-56-1 9552079 chlorhexamide C13 H17 ClN 2O3S 317.0721 963-03-1 70403 chlormezanone C11 H12 ClNO 3S 274.0299 80-77-3 2717 chlormidazole C15 H13 ClN 2 257.0840 3689-76-7 71821 chloroquine C18 H26 ClN 3 320.1888 54-05-7 2719 chloroxazone C7H4NO 2Cl 170.0003 95-25-0 2733 chlorpheniramine C16 H19 ClN 2 275.1309 132-22-9 2725 chlorphenoxamine C18 H22 ClNO 304.1462 77-38-3 6475 chloroprocaine C13 H19 ClN 2O2 271.1207 133-16-4 8612 chlorpromazine C17 H19 ClN 2S 319.1030 50-53-3 2726 chlorpropham C10 H12 ClNO 2 214.0629 101-21-3 2728 chlorprothixene C18 H18 ClNS 316.0921 113-59-7 2729 chlortalidone C14 H11 ClN 2O4S 339.0200 77-36-1 2732 chlortetracycline C22 H23 ClN 2O8 479.1215 57-62-5 6426718 chlorthenoxazine C10 H10 ClNO 2 212.0472 132-89-8 8602 chlortoluron C10 H13 ClN 2O 213.0789 15545-48-9 27375 catechin C15 H14 O6 291.0863 154-23-4 9064 cilazapril C22 H31 N3O5 418.2336 88768-40-5 56330 cimetidine C10 H16 N6S 253.1229 51481-61-9 2756 dibucaine C20 H29 N3O2 344.2332 85-79-0 3025 cinnarizine C26 H28 N2 369.2325 298-57-7 2761 cinolazepam C18 H13 ClFN 3O2 358.0753 75696-02-5 3033621 citalopram C20 H21 FN 2O 325.1710 59729-33-8 2771 clemizole C19 H20 ClN 3 326.1418 442-52-4 2782 + clidinium C22 H26 NO 3 352.1907 7020-55-5 2784 clindamycin C18 H33 ClN 2O5S 425.1871 18323-44-9 29029 clioquinol C9H5NOClI 305.9177 130-26-7 2788 clobazam C16 H13 ClN 2O2 301.0738 22316-47-8 2789 chlormethiazole C6H8ClNS 162.0138 533-45-9 10783 clomiphene C26 H28 NOCl 406.1932 911-45-5 2800 clomipramine C19 H23 ClN 2 315.1622 303-49-1 2801 clonazepam C15 H10 ClN 3O3 316.0483 1622-61-3 2802 clonidine C9H9Cl 2N3 230.0246 4205-90-7 2803 clotrimazole C22 H17 ClN 2 345.1153 23593-75-1 2812 cloxazillin C19 H18 ClN 3O5S 436.0728 61-72-3 6098 clozapine C18 H19 ClN 4 327.1371 5786-21-0 2818 cocaethylene C18 H23 NO 4 318.1700 529-38-4 65034 cocaine C17 H21 NO 4 304.1543 50-36-2 5760 codeine C18 H21 NO 3 300.1594 76-57-3 5284371 caffeine C8H10 N4O2 195.0876 58-08-2 2519 colchicine C22 H25 NO 6 400.1754 64-86-8 6167 thioacetazone C10 H12 N4OS 237.0804 104-06-3 9568512 + cornecain C15 H25 N2O3 281.1859 3686-68-8 20141 coumatetralyl C19 H16 O3 293.1172 5836-29-3 22095 crimidine C7H10 ClN 3 172.0636 535-89-7 10813 cyanazine C9H13 ClN 6 241.0962 21725-46-2 30773 cyclizine C18 H22 N2 267.1855 82-92-8 6726 cycloadiphenine C20 H31 NO 2 318.2427 548-66-3 3166 cyclopenthiazide C13 H18 ClN 3O4S2 380.0500 742-20-1 2904 cyclopentolate C17 H25 NO 3 292.1907 512-15-2 2905 cymiazole C12 H14 N2S 219.0950 61676-87-7 43714 cyproheptadine C21 H21 N 288.1746 129-03-3 2913 cytarabine C9H13 N3O5 244.0927 147-94-4 6253 daminozide C6H12 N2O3 161.0920 1596-84-5 15331 deanol C4H11 NO 90.0913 108-01-0 7902 debrisoquin C10 H13 N3 176.1182 1131-64-2 2966 desipramine C18 H22 N2 267.1855 50-47-5 2995 desloratadine C19 H19 ClN
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