Forensic Spectral Library Version 1.1 for LibraryView Software

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1 Forensic Spectral Library Version 1.1 for LibraryView Software

2 Forensic Spectral Library Version 1.1 for LibraryView Software An Overview of the licensed mass spectral library for forensic analysis compatible with LibraryView v1.1 LibraryView Software is a fast way to analyze large batches of MS/MS data for accurate and efficient MS/MS library searching, data mining, and compound database management. AB SCIEX has assembled an MS/MS spectral library compatible with LibraryView Software containing 1540 entries supporting forensic toxicology testing applications. This library was created using commercially available reference materials and can be used in LibraryView Software to perform MS/MS library searching or to create custom screening and/or quantitation methods using the integrated MRM information. Features of this MS/MS spectra library: Includes data on 1540 compounds covering drugs of abuse, metabolites, and other compounds of forensic interest. Contains 1302 integrated MRM entries with up to 6 transitions per compound. Includes 1539 full MS/MS spectral library entries including individual spectra acquired using three distinct collision energies (20 ev, 35 ev, 50 ev), as well as a single spectra representing the sum of all three collision energies. Contains spectra for both positive and negative ionization for compounds that ionize in both polarities. Advantages of using this MS/MS spectral library: Use the integrated MRM information to build methods without the need to re-infuse standards and optimize MRM transitions for a given compound. Easily create screening methods for an MRM triggered EPI workflow for use on QTRAP LC/MS/MS systems. Quickly set-up MRM quantitation methods for traditional MRM ratio quantitation and confirmation on a QTRAP or Triple Quad LC/MS/MS system. Set-up smaller customer libraries by simply selecting only the compounds of interest from the list in LibraryView Software. Use LibraryView Software to automatically create your custom acquisition and quantitation methods. The following is a list of the compounds currently in the library. This library is verified for use on AB SCIEX QTRAP LC/MS/MS systems. Please note that this library is continuously being expanded to include additional compounds. Compound Formula Formula Weight CAS Number # of Spectra (-)-Trans-delta-9-THC carboxylic acid A C22H30O N/A 4 (6α,11β,16α,17β)-6,9-difluoro-11,17-dihydroxy-16- C21H26O5F methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid 1-(3-chlorophenyl)piperazine C10H13ClN (4-fluorophenyl)piperazine C10H13FN (4-methoxyphenyl)piperazine C11H16N2O (4-trifluoromethylphenyl) piperazine C11H13F3N ,4-androstadien-17α-methyl-17β-ol-3-one C20H28O ,4-androstadien-17α-methyl-6β,17β-diol-3-one C20H28O N/A 4 1,4-androstadiene-3,17-dione C19H24O hydroxylated amitriptyline metabolite C20H23NO ketotestosterone C19H26O α-hydroxymethyltestosterone C20H30O α-hydroxytestosterone C19H28O β-hydroxystanozolol C21H32N2O N/A 4 17alpha-Hydroxyprogesterone C21H30O p 2

3 17-alpha-Methyltestosterone C20H30O epioxandrolone C19H30O α-trenbolone acetate C20H24O β-carboxylic acid fluticasone propionate C24H30O6F benzyl piperazine C11H16N (1-hydroxyethyl)promazine C19H24N2OS N/A 4 2,6-dimethylaniline C8H11N acetylphenothiazine C14H11NOS Amino-5-benzoylbenzimidazole C14H11N3O Amino-5-chlorobenzophenone C13H10ClNO Amino-5-nitrobenzophenone C13H10N2O Hydroxyethylflurazepam C17H14ClFN2O ,4-Dimethoxyphenethylamine C10H15NO ,4-Methylenedioxyamphetamine C10H13NO ,4-Methylenedioxyethylamphetamine C12H17NO ,4-Methylenedioxymethamphetamine C11H15NO ,5-Diiodotyrosine C9H9I2NO Hydroxybromazepam C14H10BrN3O hydroxydetomidine C12H14N2O N/A 4 3-hydroxylidocaine C14H22N2O '-hydroxystanozolol C21H32N2O Methylfentanyl C23H30N2O androstene-3,17-dione C19H26O Benzamidosalicyclic acid C14H11NO chlorotestosterone C19H27O2Cl hydroxypropanolol C16H21NO Methylumbelliferyl acetate C12H10O pregnen-20α-ol-3-one C21H32O (p-Methylphenyl)-phenylhydantoin C16H14N2O Aminosalicylic acid C7H7NO methoxy-N,N-dimethyltryptamine C13H18N2O Chlorothymolsulfonic acid C10H13ClO4S dehydrotestosterone C19H26O Mercaptourine C5H4N4S naloxol C19H23NO O-Monoacetylmorphine C19H21NO β,17α-hydroxyboldenone C19H26O N/A 4 6β-hydroxyfluoxymesterone C20H29O4F β-hydroxytestosterone C19H28O β-naloxol-3β-glucuronide C25H31NO β-naltrexol C20H25NO Aminoclonazepam C15H12ClN3O Aminodesmethylflunitrazepam C15H12FN3O Aminoflunitrazepam C16H14FN3O Aminonitrazepam C15H13N3O Chlorotheophylline C7H7ClN4O Hydroxyquinoline C9H7NO Hydroxyrisperidone C23H27FN4O p 3

4 9α-Fluoro-17,17-dimethyl-18-norandrosta-4,13-diene- 11β-ol-3-one C20H27O2F N/A 4 9α-fluoroprednisolone C21H27FO N/A 4 Acebutolol C18H28N2O Acecarbromal C9H15BrN2O Aceclidine C9H15NO Aceclofenac C16H13Cl2NO Acemetacin C21H18ClNO Acenocoumarol C19H15NO Acepromazine C19H22N2OS Aceprometazine C19H22N2OS Acetaminodantrolene C16H14N4O Acetaminophen C8H9NO acetanilide C8H9NO Acetazolamide C4H6N4O3S Acetiamin C16H22N4O4S acetohexamide C15H20N2O4S Acetylaminonitroprophoxybenzene C11H14N2O Acetylsalicylamid C9H9NO Acetylsalicylic Acid C9H8O Aciclovir C8H11N5O Acipimox C6H6N2O Acrivastine C22H24N2O Actinoquinol C11H11NO4S Adefovir C8H12N5O4P Adenine C5H5N Adenosine C10H13N5O adiphenine C20H25NO Adrenalone C9H11NO Ajmaline C20H26N2O Alachlor C14H20ClNO alclofenac C11H11O3Cl Alclometasone-17,21-dipropionate C28H37ClO Alcuronium C44H50N4O alfadolone acetate C23H34O Alfuzosine C19H27N5O Alimemazine C18H22N2S Alizapride C16H21N5O Allopurinol C5H4N4O Almitrine C26H29F2N alpha-ethyl-1,3-benzodioxole-5-ethanamine C11H15NO alpha-hydroxyalprazolam C17H13ClN4O alpha-hydroxymidazolam C18H13ClFN3O alpha-hydroxytriazolam C17H12Cl2N4O alphaprodine C16H23NO Alprazolam C17H13ClN Alprenolol C15H23NO Alprostadil C20H34O p 4

5 althiazide C11H14N3O4S3Cl altrenogest C21H26O Altretamine C9H18N alverine C20H27N Alypin C16H26N2O Amantadine C10H17N Ambenonium C28H42Cl2N4O Ambroxol C13H18Br2N2O Ambucetamide C17H28N2O ambutonium C20H27N2O Amcinonide C28H35FO Ametryn C9H17N5S Amezinium C11H12N3O Amidotrizoic Acid C11H9I3N2O Amiloride C6H8ClN7O aminacrine C13H10N amineptine C22H27NO Aminodantrolene C14H12N4O Aminoglutethimide C13H16N2O Aminophenazone C13H17N3O Aminopromazine C19H25N3S aminopterin C19H20N8O Aminoquinuride C21H20N6O Aminorex C9H10N2O Amiodarone C25H29I2NO Amiphenazole C9H9N3S amisometradine C9H13N3O Amisulpride C17H27N3O4S Amitriptylin C20H23N Amitriptylinoxide C20H23NO Amitrole C2H4N Amlodipine C20H25ClN2O Ammoidin C12H8O Amobarbital C11H18N2O amodiaquine C20H22N3OCl amopyroquine C20H20N3OCl Amorolfine C21H35NO Amoxapine C17H16ClN3O Amoxicillin C16H19N3O5S Amphetamine C9H13N Amphotericin B C47H73NO Ampicillin C16H19N3O4S Amprolium C14H19ClN Amrinone C10H9N3O amylocaine C14H21NO anastrozole C17H19N Anilazine C9H5Cl3N Antazoline C17H19N p 5

6 Apalcillin C25H23N5O6S apocodeine C18H19NO Apomorphine C17H17NO Apophedrin C8H11NO Apraclonidin C9H10Cl2N Aprinidine C22H30N apronalide C9H16N2O Arecoline C8H13NO Aripiprazole C23H27Cl2N3O Astemizole C28H31FN4O Asulam C8H10N2O4S Atenolol C14H22N2O atipamezole C14H16N atomoxetine C17H21NO Atorvastatin C33H35FN2O Atraton C9H17N5O Atrazine C8H14ClN Atrazine-2-hydroxy C8H15N5O Atropine C17H23NO Atropinmethylbromid C18H26NO Atropin-N-octylbromide C25H40NO Axeen C10H14N2O azacyclonol C18H21NO azaperol C19H24FN3O azaperone C19H22N3OF azapetine C17H17N Azapropazone C16H20N4O Azatadine C20H22N Azathioprine C9H7N7O2S Azelaic Acid C9H16O Azelastine C22H24ClN3O Azidamphenicol C11H13N5O Azidocillin C16H17N5O4S Azinphos-methyl C10H12N3O3PS Azintamid C10H14ClN3OS Aziprotryne C7H11N7S Azithromycin C38H72N2O Azoluron C12H14N4O Azosemide C12H11ClN6O2S Aztreonam C13H17N5O8S Bacampicillin C21H27N3O7S Baclofen C10H12ClNO Bambuterol C18H29N3O Bamethan C12H19NO Bamifylline C20H27N5O Bamipin C19H24N Barbital C8H12N2O Barverin C29H43N5O p 6

7 Beclamide C10H12ClNO Beclometasone dipropionate C28H37ClO beclomethasone C22H29ClO beclomethasone-17-propionate C25H33O6Cl Befunolol C16H21NO Bemetizide C15H16ClN3O4S Benactyzine C20H25NO benazepril C24H28N2O Benazolin-ethyl C11H10ClNO3S Bendamustine C16H21Cl2N3O Bendiocarb C11H13NO Bendroflumethiazide C15H14F3N3O4S Benfluorex C19H20F3NO Benfotiamin C19H23N4O6PS Benodanil C13H10INO Benorilate C17H15NO benoxaprofen C16H12NO3Cl Benperidole C22H24FN3O Benproperine C21H27NO Benserazid C10H15N3O Bensultap C17H21NO4S Bentiromide C23H20N2O Benzatropine C21H25NO Benzethonium C27H42NO benzilonium C22H28NO Benzocaine C9H11NO Benzoctamine C18H19N Benzododecinium C21H38N Benzoxonium C23H42NO Benzoylecgonine C16H19NO benzphetamine C17H21N Benzquinamide C22H32N2O Benzthiazide C15H14ClN3O4S Benzthiazuron C9H9N3OS Benzydamine C19H23N3O Benzylpenicillin C16H18N2O4S Benzyltectronic acid C11H10O Berberine C20H18NO beta/dexamethasone C22H29FO / Betaine C5H11NO Betamethasone C22H29FO Betamethasone 17-valerate C27H37FO Betamethasone 21-phosphate C22H30FO8P Betamethasone-17-benzoate C29H33FO Betaxolol C18H29NO Bethanidine C10H15N Bevonium C22H28NO Bezafibrate C19H20ClNO p 7

8 Bezitramide C31H32HN4O bibenzonium C19H26NO Bicalutamide C18H14F4N2O4S Bidesmethylcitalopram C18H17N2OF N/A 4 Bietamiverine C19H30N2O Bifonazole C22H18N Biotin C10H16N2O3S Biperiden C21H29NO Bisacodyl C22H19NO Bisoprolol C18H31NO Bitertanol C20H23N3O bitolterol C28H31NO bolasterone C21H32O boldenone C19H26O Bopindolol C23H28N2O Bornaprine C21H31NO Bosentan C27H29N5O6S Brallobarbital C10H11BrN2O Brimonidine C11H10BrN Brivudine C11H13BrN2O Brodifacoum C31H23BrO Bromacil C9H13BrN2O bromantan C16H20NBr Bromazepam C14H10BrN3O Bromazine C17H20BrNO Bromchlorophen C13H8Br2Cl2O Bromhexine C14H20Br2N bromisoval C6H11N2O2Br Bromocriptine C32H40BrN5O Bromopride C14H22BrN3O Bromperidol C21H23BrFNO Brompheniramine C16H19BrN Bromurone C9H11BrN2O Brotizolam C15H10BrClN4S Brucine C23H26N2O Bucetin C12H17NO buclizine C28H33N2Cl Buclosamide C11H14ClNO Budesonide C25H34O Budipine C21H27N Bufexamac C12H17NO Buflomedil C17H25NO Bulbocapnin C19H19NO Bumadizone C19H22N2O Bumetanide C17H20N2O5S Bunazosin C19H27N5O Bunitrolol C14H20N2O bunolol C17H25NO p 8

9 Buphenine C19H25NO Bupivacaine C18H28N2O Bupranolol C14H22ClNO Buprenorphine C29H41NO buprenorphine-3β-glucuronide C35H49NO N/A 4 Buprenorphine-D4 C29H37(2H)4NO Buprofezin C16H23N3OS Bupropion C13H18NOCl Buspirone C21H31N5O butacaine C18H30N2O Butalamine C18H28N4O Butalbital C11H16N2O Butallylonal C11H15BrN2O Butamirate C18H29NO Butanilicain C13H19ClN2O Butaperazine C24H31N3OS Butetamate C16H25NO Butinoline C20H21NO Butizide C11H16ClN3O4S butofilolol C17H26FNO Butorphanol C21H29NO Butoxycaine C17H27NO Cabergoline C26H37N5O Cabral C13H14N2O Cafaminol C11H17N5O Caffeine C8H10N4O Calteridol C17H32N4O Camylofine C19H32N2O Candesartan C24H20N6O Canrenoic Acid C22H30O canrenone C22H28O Capecitabine C15H22FN3O Caproylresorcinol C12H16O Captodiame C21H29NS Captopril C9H15NO3S caramiphen C18H27NO Carazolol C18H22N2O Carbachol C6H15N2O Carbamazepine C15H12N2O Carbamazepine 10,11-epoxide C15H12N2O Carbaryl C12H11NO Carbazochrom C10H12N4O Carbendazim C9H9N3O Carbenoxolone C34H50O Carbimazole C7H10N2O2S Carbinoxamine C16H19ClN2O Carboxin C12H13NO2S carbromal C7H13BrN2O p 9

10 Carbutamide C11H17N3O3S Carbuterol C13H21N3O carfentanil C24H30N2O Carisoprodol C12H24N2O carphedone C12H14N2O Carprofen C15H12ClNO Carteolol C16H24N2O Carticain C13H20N2O3S Carvedilol C24H26N2O Cefaclor C15H14ClN3O4S Cefadroxil C16H17N3O5S Cefalexin C16H17N3O4S Cefamandole C18H18N6O5S Cefapirin C17H17N3O6S Cefazedone C18H15Cl2N5O5S Cefepime C19H24N6O5S Cefetamet C14H15N5O5S Cefixime C16H15N5O7S Cefmenoxime C16H17N9O5S Cefodizime C20H20N6O7S Cefotaxime C16H17N5O7S Cefotiam C18H23N9O4S Cefpirome C22H22N6O5S Ceftazidime C22H22N6O7S Ceftizoxime C13H13N5O5S Ceftriaxone C18H18N8O7S Cefuroxime C16H16N4O8S Celiprolol C20H33N3O Cerivastatin C26H34FNO cetalkonium C25H46N Cetirizine C21H25ClN2O Cetobemidone C15H21NO Chlorambucil C14H19Cl2NO Chloramphenicol C11H12Cl2N2O Chlorazanil C9H8ClN Chlorbenzoxamine C27H31ClN2O Chlorcyclizine C18H21ClN Chlordiazepoxide C16H14ClN3O Chlordimeform C10H13ClN Chlorfluazuron C20H9Cl3F5N3O Chloridazon C10H8ClN3O Chlormadinone Acetate C23H29ClO Chlormequat C5H13ClN Chlorophacinone C23H15ClO chloroprocaine C13H20Cl2N2O Chloropyramine C16H20ClN Chloroquine C18H26ClN Chlorothiazide C7H6ClN3O4S p 10

11 Chlorphencyclan C18H28ClNO Chlorphenethiazine C16H17N2SCl Chlorpheniramine C16H19ClN Chlorphenoxamine C18H22ClNO chlorphentermine C10H14ClN Chlorpromazin-D3 C17H16Cl(2H)3N2S Chlorpromazine C17H19ClN2S Chlorpromazine Sulfoxide C17H19ClN2OS chlorpropamide C10H13N2O3SCl Chlorprothixene C18H18ClNS chlorquinaldol C10H7NOCl chlorthalidone C14H11ClN2O4S Chlorthenoxazine C10H10ClNO Chlorzoxazone C7H4ClNO Ciclacillin C15H23N3O4S Cicletanine C14H12ClNO Ciclonium Bromide C22H34NO Cilastatin C16H26N2O5S Cilazapril C22H31N3O Cimetidine C10H16N6S Cinchocaine C20H29N3O Cinchonidine C19H22N2O Cinchonine C19H22N2O cinchophen C16H11NO Cinnarizine C26H28N Cinoxacin C12H10N2O Ciprofloxacin C17H18FN3O Cisapride C23H29ClFN3O Citalopram C20H21FN2O Citiolone C6H9NO2S clanobutin C18H18ClNO Clarithromycin C38H69NO clefamide C17H16N2O5Cl Clemastine C21H26ClNO Clemizole C19H20ClN Clenbuterol C12H18Cl2N2O Clibucaine C15H20Cl2N2O clidinium C22H26NO Climbazole C15H17ClN2O Clindamycin C18H33ClN2O5S Clobazam C16H13ClN2O Clobenzepam C17H18ClN3O Clobenzorex C16H18ClN Clobetasol-17-propionate C25H32ClFO Clobetason-butyrate C26H32ClFO Clobutinol C14H22ClNO Clofedanol C17H20ClNO Clofenamide C6H7ClN2O4S p 11

12 Clofexamide C14H21ClN2O Clomethiazole C6H8ClNS Clomiphene C26H28ClNO Clomipramine C19H23ClN Clonazepam C15H10ClN3O Clonidine C9H9Cl2N clonixin C13H11N2O2Cl Clopamide C14H20ClN3O3S Clopenthixol C22H25ClN2OS Clopidogrel C16H16ClNO2S Cloprednol C21H25ClO clorexolone C14H17N2O3SCl Clorindione C15H9ClO clorprenaline C11H16NOCl clorsulon C8H8N3O4S2Cl Clotiapine C18H18ClN3S Clotiazepam C16H15ClN2OS Clotrimazol C22H17ClN Cloxiquine C9H6ClNO Clozapine C18H19ClN Clozapine N-oxide C18H19ClN4O Cocaine C17H21NO Codeine C18H21NO Colchicine C22H25NO Coniine C8H17N Corticosterone C21H30O Cortisone C21H28O Cotinine C10H12N2O coumarin C9H6O Coumatetralyl C19H16O Croconazole C18H15ClN2O Cromoglicic acid C23H16O cropropamide C13H24N2O Crotetamide C12H22N2O Cyamemazine C19H21N3S Cyanazine C9H13ClN Cyclamic acid C6H13NO3S Cyclicine C18H22N Cyclobenzaprine C20H21N Cyclodrine C19H29NO cycloguanil C11H14N5Cl cyclomethycaine C22H33NO Cyclopentamine C9H19N cyclopenthiazide C13H18N3O4S2Cl Cyclopentobarbital C12H14N2O Cyclopentolate C17H25NO Cyclophosphamide C7H15Cl2N2O2P cyclothiazide C14H16N3O4S2Cl p 12

13 Cyclovalone C22H22O Cyproheptadine C21H21N Cytarabine C9H13N3O D10-Psilocin C12H6(2H)10N2O N/A 4 D3-Atropin C17H20(2H)3NO N/A 4 D3-Benzoylecgonine C16H16(2H)3NO D3-Cocaine C17H18(2H)3NO D3-Codeine C18H18(2H)3NO D3-Doxepin C19H18NO(2H) N/A 4 D3-Ecgonine methyl ester C10H14(2H)3NO D3-LSD C20H22(2H)3N3O D3-Methadon C21H24(2H)3NO D3-Morphine C17H16(2H)3NO D3-Morphine-3-beta-glucuronide C23H24(2H)3NO N/A 12 D5-Amphetamin C9H8(2H)5N D5-Diazepam C16H8ClN2O(2H) N/A 4 D5-Fentanyl C22H23(2H)5N2O D5-MBDB C12H12(2H)5NO N/A 4 D5-MDA C10H8(2H)5NO D5-MDEA C12H12(2H)5NO D5-MDMA C11H10(2H)5NO D5-Metamphetamine C10H10(2H)5N D7-7-Aminoflunitrazepam C16H7(2H)7FN3O N/A 4 D7-Flunitrazepam C16H5(2H)7FN3O N/A 4 D9-Methadone C21H18(2H)9NO N/A 4 Dacarbazin C6H10N6O Danazol C22H27NO dantrolene C14H10N4O Dapiprazole C19H27N Dapsone C12H12N2O2S Daunorubicin C27H29NO Debrisoquine C10H13N DEET C12H17NO Deflazacort C25H31NO Dehydrocholic acid C24H34O Delorazepam C15H10Cl2N2O dembrexine C13H17NO2Br Demecarium C32H52N4O Demeclocycline C21H21ClN2O Demeton-O C8H19O3PS Demeton-O-methyl C6H15O3PS Demeton-S-methyl-sulfone C6H15O5PS Demoxepam C15H11N2O2Cl Denaverine C24H33NO deptropine C23H27NO dequalinium C30H40N Desalkylflurazepam C15H10N2OFCl Desipramine C18H22N p 13

14 Desmedipham C16H16N2O Desmethylcitalopram C19H19N2OF Desmethylclobazam C15H11ClN2O Desmethylclomipramine C18H21ClN desmethylpapaverine C19H19NO desmethylreserpine C32H38N2O N/A 4 desonide C24H32O Desoximethasone C22H29FO Desoxycortone 21-(3-phenylpropionate) C30H38O Desoxycortone enantate C28H42O N/A 4 despropionyl fentanyl C19H24N Detajmium C27H42N3O detomidine C12H14N detomidine carboxylic acid C12H12N2O Dexamethasone C22H29FO Dexamethasone 21-Acetate C24H31FO Dexamethasone 21-isonicotinate C28H32FNO dexamethasone phenylpropionate C31H37FO Dexfenfluramine C12H16F3N dexpanthenol C9H19NO Dextromethorphan C18H25NO Dextromoramide C25H32N2O Dextropropoxyphene C22H29NO Diaveridine C13H16N4O Diazepam C16H13ClN2O Diazoxide C8H7ClN2O2S Dibenzepin C18H21N3O Dibutyl adipate C14H26O Dichlorophen C13H10Cl2O Diclofenac C14H11Cl2NO Dicycloverine C19H35NO Didanosine C10H12N4O didesmethylchloropromazine C15H15N2SCl Dienestrol C18H18O Dienogest C20H25NO Diethazine C18H22N2S Diethylcarbamazine C10H21N3O diethylpropion C13H19NO Difenoconazole C19H17Cl2N3O Difenoxuron C16H18N2O Difenzoquat C17H17N Diflorasone diacetate C26H32F2O Diflucortolone C22H28F2O digoxin C41H64O Dihydralazine C8H10N Dihydrocodeine C18H23NO Dihydroergocristin C35H41N5O Dihydroergokryptine C32H43N5O p 14

15 Dihydroergotamine C33H37N5O Dihyprylone C9H15NO Dilazep C31H44N2O Diltiazem C22H26N2O4S dimefline C20H21NO Dimefuron C15H19ClN4O Dimephenopan C11H17N Dimetacrine C20H26N Dimethachlor C13H18ClNO Dimethomorph C21H22ClNO Dimetindene C20H24N Dimetotiazine C19H25N3O2S Dimetridazole C5H7N3O Dinoprost C20H34O Dioxethedrin C11H17NO Diphenamid C16H17NO Diphenhydramine C17H21NO Diphenidol C21H27NO Diphenylpyraline C19H23NO dipipanone C24H31NO Dipiproverine C20H30N2O Diponium C20H38NO diprenorphine C26H35NO Diprophylline C10H14N4O Dipyridamole C24H40N8O Disopyramide C21H29N3O Distigmin C22H32N4O Disulfiram C10H20N2S Dixyrazine C24H33N3O2S Dobutamine C18H23NO Dolasetron C19H20N2O Domperidone C22H24ClN5O Dopamin C8H11NO Dopexamine C22H32N2O Dormovit C12H14N2O Dorzolamide C10H16N2O4S Dosulepin C19H21NS Doxapram C24H30N2O Doxazosin C23H25N5O Doxepin C19H21NO Doxorubicin C27H29NO Doxylamine C17H22N2O Drazoloxon C10H8ClN3O Drofenine C20H31NO droperidol C22H22N3O2F Dropropizine C13H20N2O Drospirenone C24H30O duloxetine C18H19NOS p 15

16 Ecgonin-D3 C9H12(2H)3NO N/A 8 Ecgoninemethylester C10H17NO EDDP C20H23N EDDP-D3 C20H21(2H)3N Eldoral C11H17N3O embramine C18H22NOBr Embutramide C17H27NO Emepronium C20H28N Emetine C29H40N2O Emodin C15H10O Enalapril C20H28N2O Endomide C17H28N2O Enoximone C12H12N2O2S Ephedrine C10H15NO Epinephrine C9H13NO epithiazide C10H11N3O4F3S3Cl Eprazinone C24H32N2O Eprosartan C23H24N2O4S ergometrine C19H23N3O Erythromycin C37H67NO Esculin C15H16O Esmolol C16H25NO Estazolam C16H11ClN estr-4-ene-3,17-dione C18H24O Etafedrine C12H19NO Etafenone C21H27NO Etamiphyllin C13H21N5O Etamivan C12H17NO Ethacridine C15H15N3O Ethacrynic Acid C13H12Cl2O Ethambutol C10H24N2O Ethaverine C24H29NO Ethenzamide C9H11NO ethiazide C9H12N3O4S2Cl Ethionamide C8H10N2S ethisterone C21H28O Ethosuximide C7H11NO ethotoin C11H12N2O Ethyl glucuronide C8H14O Ethyl glucuronide-d5 C8H9(2H)5O N/A 4 Ethyl sulfate C2H6O4S Ethyl sulfate-d5 C2H(2H)5O4S N/A 4 Ethylbenzhydramine C19H25NO ethylmorphine C19H23NO Etidocaine C17H28N2O Etifelmin C17H19N Etilamfetamine C11H17N Etilefrine C10H15NO p 16

17 Etiroxate C18H17I4NO Etodolac C17H21NO Etodroxizine C23H31ClN2O Etofenamate C18H18F3NO Etofibrate C18H18ClNO Etofyllinclofibrate C19H21ClN4O Etofylline C9H12N4O Etoloxamine C19H25NO Etomidate C14H16N2O Etoposide C29H32O Etryptamine C12H16N Eucatropine C17H25NO Exemestane C20H24O Famciclovir C14H19N5O Famotidine C8H15N7O2S Famprofazone C24H31N3O Fedrilate C20H29NO Felbamate C11H14N2O Felodipine C18H19Cl2NO Fenarimol C17H12Cl2N2O fenbufen C16H14O Fenbutrazate C23H29NO fencamfamine C15H21N fenclozic acid C11H8ClNO2S Fendiline C23H25N Fenetylline C18H23N5O Fenfluramine C12H16F3N Fenfuram C12H11NO Fenofibrate C20H21ClO Fenoprofen C15H14O Fenoterol C17H21NO Fenoxazoline C13H18N2O fenozolone C11H12N2O Fenpipramide C21H26N2O Fenpiprane C20H25N Fenproporex C12H16N fenspiride C15H20N2O Fentanyl C22H28N2O fenticlor C12H8O2SCl Fenticonazole C24H20Cl2N2OS feprazone C20H20N2O Fexofenadine C32H39NO Finasteride C23H36N2O Flavoxate C24H25NO Flecainide C17H20F6N2O Fleroxacin C17H18F3N3O Flocoumafen C33H25F3O Floctafenine C20H17F3N2O p 17

18 Fluanisone C21H25FN2O Flucloxacillin C19H17ClFN3O5S Fluconazole C13H12F2N6O fludrocortisone C21H29O5F Fludrocortisone Acetate C23H31FO fludroxycortide C24H33FO Flufenamic Acid C14H10F3NO Flumazenil C15H14FN3O flumethasone C22H28F2O Flumioxazin C19H15FN2O Flunarizine C26H26F2N flunisolide C24H31FO Flunitrazepam C16H12FN3O Flunixin C14H11N2O2F Fluocinolone Acetonide C24H30F2O Fluocinonide C26H32F2O Fluocortin Butyl C26H35FO Fluocortolone C22H29FO fluorometholone C22H29O4F fluoroprednisolone acetate C23H29O6F Fluorouracil C4H3FN2O Fluoxetine C17H18NOF fluoxymesterone C20H29O3F Flupentixol C23H25F3N2OS Fluphenazine C22H26F3N3OS Flupirtine C15H17FN4O fluprednisolone C21H27O5F Fluprednylidene 21-Acetate C24H29FO Flurazepam C21H23ClFN3O Flurbiprofen C15H13FO Flurochloridone C12H10Cl2F3NO Fluspirilen C29H31F2N3O Flutamide C11H11F3N2O Fluticasone Propionate C25H31F3O5S Fluvastadine C24H26FNO Fluvoxamine C15H21F3N2O Fominoben C21H24ClN3O Fomocain C20H25NO Formetanate C11H15N3O formoterol C19H24N2O Formylsulfamethine C13H14N4O3S Fosinopril C30H46NO7P Fuberidazole C11H8N2O Furalaxyl C17H19NO Furaltadone C13H16N4O Furazolidone C8H7N3O Furosemid C12H11ClN2O5S Gabapentin C9H17NO p 18

19 Galantamine C17H21NO Gallopamil C28H40N2O gamma-hydroxybutyric acid C4H8O (sodium salt) 4 gamma-hydroxybutyric acid-d6 C4H2(2H)6O N/A 4 Gemcitabine C9H11F2N3O Gemfibrozil C15H22O gentisic acid C7H6O Gepefrine C9H13NO Gestodene C21H26O gestrinone C21H24O Gibberelic acid C19H22O Gitoxigenin C23H34O Glafenin C19H17ClN2O Glibenclamide C23H28ClN3O5S Glibornuride C18H26N2O4S Gliclazide C15H21N3O3S Glimepiride C24H34N4O5S Glipizide C21H27N5O4S Gliquidone C27H33N3O6S Glisoxepide C20H27N5O5S Glucosamine C6H13NO glutethimide C13H15NO glycopyrronium C19H28NO Glymidine C13H15N3O4S Granisetron C18H24N4O Grepafloxacin C19H22FN3O Griseofulvin C17H17ClO Guafecainol C16H27NO Guaifenesin C10H14O Guanabenz C8H8Cl2N Guanacline C9H18N Guanethidine C10H22N Guanfacine C9H9Cl2N3O guanoclor C9H12N4OCl Guanoxan C10H13N3O Halcinonide C24H32ClFO Halofantrine C26H30Cl2F3NO Halofuginone C16H17BrClN3O Halometasone C22H27ClF2O Haloperidol C21H23ClFNO Haloperidol-D4 C21H19Cl(2H)4FNO haloxon C14H14O6PCl Haloxyfop-etotyl C19H19ClF3NO Hapargoside C24H30O Heptaminol C8H19NO Heroin C21H23NO Hesperidin C28H34O Hexacarbacholine C18H40N4O p 19

20 Hexachlorophene C13H6Cl6O Hexamethonium C12H30N Hexamidine C20H26N4O Hexazinone C12H20N4O Hexobendine C30H44N2O Histamine C5H9N Histapyrrodine C19H24N Histidine C6H9N3O HMMA C11H17NO Homatropine C16H21NO homidium C21H20N Homofenazine C23H28F3N3OS Hordenine C10H15NO Hydralazine C8H8N hydrastine C21H21NO Hydrochlorothiazide C7H8ClN3O4S Hydrocodone C18H21NO Hydrocortisone C21H30O Hydrocortisone 21-acetate C23H32O Hydrocortisone 21-hydrogen succinate C25H33O Hydrocortisone buteprate C28H40O Hydroflumethiazide C8H8F3N3O4S Hydromorphone C17H19NO Hydroxychlorquine C18H26ClN3O Hydroxymethylpyridine C6H7NO N/A 4 hydroxyprogesterone acetate C23H32O hydroxyprogesterone caproate C27H40O Hydroxyzine C21H27ClN2O Hymecromone C10H8O Hyoscyamine C17H23NO Ibogaine C20H26N2O Idarubicin C26H27NO Idoxuridine C9H11IN2O Ifosfamide C7H15Cl2N2O2P Imiclopazine C25H32ClN5OS Imidapril C20H27N3O Iminostilbene C14H11N Imipramine C19H24N Imiquimod C14H16N Imolamine C14H20N4O Indanazoline C12H15N Indapamide C16H16ClN3O3S Indinavir C36H47N5O Indomethacin C19H16ClNO Indoprofen C17H15NO Indoramin C22H25N3O Inosine C10H12N4O Iobitridol C20H28I3N3O p 20

21 Ioglicic acid C13H12I3N3O Iopodic acid C12H13I3N2O Ipratropium C20H30NO Iprazochrome C12H16N4O Iprindole C19H28N iproniazid C9H13N3O Irbesartan C25H28N6O Isoaminile C16H24N Isocarboxazid C12H13N3O Isoconazole C18H14Cl4N2O isoetarine C13H21NO isoflupredone C21H27O5F isometamidium C28H26N Isoniazide C6H7N3O Isoprenaline C11H17NO isopropamide C23H33N2O Isoproturon C12H18N2O Isothipendyl C16H19N3S Isoxicam C14H13N3O5S Isoxsuprine C18H23NO Isradipine C19H21N3O Kavain C14H14O Ketamine C13H16ClNO Ketazolam C20H17ClN2O ketocaine C18H29NO Ketoconazole C26H28Cl2N4O Ketoprofen C16H14O Ketorolac C15H13NO Ketotifen C19H19NOS Khellin C14H12O Labetalol C19H24N2O Lacidipine C26H33NO Lactitol C12H24O Lamivudine C8H11N3O3S Lamotrigine C9H7Cl2N Lauroguadine C20H36N6O Leflunomide C12H9F3N2O Lercanidipine C36H41N3O letrozole C17H11N Levallorphan C19H25NO Levobunolol C17H25NO Levocabastine C26H29FN2O Levodopa C9H11NO Levomepromazine C19H24N2OS levophacetoperane C14H19NO Levopropylhexedrin C10H21N Lidocaine C14H22N2O lidoflazine C30H35F2N3O p 21

22 Lincomycin C18H34N2O6S Liothyronine C15H12I3NO Lisinopril C21H31N3O Lisurid C20H26N4O Lobeline C22H27NO Lofepramine C26H27ClN2O lofexidine C11H12Cl2N2O Lonazolac C17H13ClN2O Loperamide C29H33ClN2O loprazolam C23H21N6O3Cl Loracarbef C16H16ClN3O Loratadine C22H23ClN2O Lorazepam C15H10Cl2N2O Lormetazepam C16H12Cl2N2O Lornoxicam C13H10ClN3O4S Losartan C22H23ClN6O Lovastatin C24H36O Loxapine C18H18ClN3O lucanthone C20H24N2OS Lysergide C20H25N3O Mafenide C7H10N2O2S Maprotiline C20H23N Mazindol C16H13ClN2O Mebendazole C16H13N3O Mebeverine C25H35NO mebhydrolin C19H20N Meclofenamic acid C14H11Cl2NO Meclofenoxate C12H16NO3Cl Mecloxamine C19H24ClNO Meclozine C25H27ClN meconine C10H10O Medazepam C16H15ClN medetomidine C13H16N medetomidine carboxylic acid C13H14N2O N/A 4 Medroxyprogesterone 17-acetate C24H34O Mefenamic acid C15H15NO Mefenorex C12H18ClN Mefexamide C15H24N2O Mefloquine C17H16F6N2O Mefruside C13H19ClN2O5S megestrol acetate C24H32O Melatonin C13H16N2O Meleagrin C23H23N5O melengestrol C23H30O melengestrol acetate C25H32O Melitracen C21H25N Meloxicam C14H13N3O4S Melperone C16H22FNO p 22

23 Melphalan C13H18Cl2N2O Mepacrine C23H30ClN3O mepazine C19H22N2S mepenzolate C21H26NO Meperidine C15H21NO Meperidine-D4 C15H17(2H)4NO mephenoxalone C11H13NO Mephentermine C11H17N Mepindolol C15H22N2O Mepivacaine C15H22N2O Meprobamate C9H18N2O Meptazinol C15H23NO Mequitazine C20H22N2S Mescaline C11H17NO mesocarb C18H18N4O Mesoridazine C21H26N2OS mesterolone C20H32O Mesuximide C12H13NO Metaclazepam C18H18BrClN2O Metamfepramone C11H15NO Metamitron C10H10N4O Metamizol C13H17N3O4S metaraminol C9H13NO metaxalone C12H15NO Metazachlor C14H16ClN3O Metenolone acetate C22H32O Metformin C4H11N Methabenzthiazuron C10H11N3OS Methadone C21H27NO Methamphetamine C10H15N Methamphetamine-D11 C10H4(2H)11N Methamphetamine-D8 C10H7(2H)8N Methanthelinium C21H26NO Methaphenilene C15H20N2S Methapyrilene C14H19N3S Methaqualone C16H14N2O Methazolamide C5H8N4O3S Methfuroxam C14H15NO Methocarbamol C11H15NO Methohexital C14H18N2O Methohexital-D5 C14H13(2H)5N2O Methoprotryne C11H21N5OS Methotrexate C20H22N8O methoxyphenamine C11H17NO methoxypromazine C18H22N2OS methyclothiazide C9H11N3O4S2Cl Methyl nicotinate C7H7NO Methyldopa C10H13NO p 23

24 Methylephedrine C11H17NO Methylphenidate C14H19NO Methylprednisolone C22H30O methylprednisolone acetate C24H32O Methylscopolamine C18H23NO Methylthiouracil C5H6N2OS Methysergide C21H27N3O meticrane C10H13NO4S Metipranolol C17H27NO Metixene C20H23NS Metoclopramide C14H22ClN3O Metofenazate C31H36ClN3O5S metolazone C16H16N3O3SCl Metoprolol C15H25NO Metronidazole C6H9N3O Metsulfuron-methyl C14H15N5O6S Metyrapone C14H14N2O Mexiletine C11H17NO Mezlocillin C21H25N5O8S Mianserin C18H20N mibolerone C20H30O Miconazole C18H14Cl4N2O Midazolam C18H13ClFN Midodrine C12H18N2O Milrinone C12H9N3O Miltefosine C21H46NO4P Minocycline C23H27N3O Minoxidil C9H15N5O Mirtazapine C17H19N Mizolastine C24H25FN6O Moclobemide C13H17ClN2O Modafinil C15H15NO2S Mofebutazone C13H16N2O Molindone C16H24N2O Molsidomine C9H14N4O monethylglycine xylidide C12H18N2O N/A 4 Monocrotophos C7H14NO5P Monolinuron C9H11ClN2O Monuron C9H11ClN2O Moperone C22H26FNO Morantel C12H16N2S Morazone C23H27N3O Morphine C17H19NO Morphine-3-beta-D-glucuronide C23H27NO Moxaverine C20H21NO Moxisylyte C16H25NO Moxonidine C9H12ClN5O MTPAP C14H13N2OF N/A 4 p 24