Maurer/Wissenbach/Weber LC-MSn Library of Drugs, Poisons and Their Metabolites

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  • Published: Apr 16, 2014
  • Author: Hans H. Maurer, Dirk K. Wissenbach, Armin A. Weber
  • ISBN: 978-3-527-33742-2
  • Format: Software
  • Extent: pages
  • Click here to buy the book
  • Channels: Proteomics & Genomics / HPLC / Base Peak / Proteomics
thumbnail image: Maurer/Wissenbach/Weber LC-MSn Library of Drugs, Poisons and Their Metabolites

Most of the CNS acting drugs (e.g. drugs of abuse) are lipophilic compounds which are excreted into urine mainly in metabolized form. Common GC-MS screening, using comprehensive libraries with electron ionization spectra and sophisticated search algorithms, provides excellent screening results with the limitation of volatile and apolar compounds. LCMSn screening with corresponding libraries can overcome these limitations, but up until now, all have mainly covered parent compounds. Thus their applicability for urine screening is limited because most toxicologically relevant compounds are excreted into urine more or less exclusively as phase I and/or II metabolites.

The Maurer/Wissenbach/Weber LCMSn Library of Drugs, Poisons, and Their Metabolites provides a proven metabolite-based LCMSn screening methods and MS2 and MS3 spectra of about 1,500 parent compounds and 3,000 of their metabolites. Detection of metabolites increases the sensitivity, detection window, and the selectivity, allows confirmation of the body passage, and finally, minimizes the risk of false negative LC-MS results possibly caused by ion suppression of the target analyte. Even the risk of false positive results can be reduced considering the metabolite patterns.

Spectra: >10,000
Structures: 6,816
Toxicologically Relevant Compounds: 1,500
Metabolites/Artifacts: 3,000
Endogenous Molecules/Impurities: 50

Compound coverage can be searched at www.compoundsearch.com. Compound coverage includes:
- Alkaloid
- Anabolic
- Analgesic
- Anesthetic
- Anorectic
- Antagonist of benzodiazepines
- Anthelmintic
- Antiamebic
- Antianginal
- Antiarrhythmic
- Antiasthmatic
- Antibiotic
- Anticholinergic
- Anticoagulant
- Anticonvulsant
- Antidepressant
- Antidiabetic
- Antidiarrheal
- Antiemetic
- Antiestrogen
- Antigonadotropin
- Antihistamine
- Antihyperlipic
- Antihypertensive
- Antihypotensive
- Antiinflammatory
- Antilipemic
- Antimalarial
- Antimigraine
- Antimycotic
- Antineoplastic
- Antiparkinsonian
- Antirheumatic
- Antiseptic
- Antispasmodic
- Antitussive
- Aromatase inhibitor
- Benign prostatic hyperplasia drug
- Beta-Blocker
- Bronchodilator
- Ca Antagonist
- Cannabimimetic
- Cannabinoid
- Capillary protectant
- Cardiotonic
- ChE inhibitor for M. Alzheimer
- Chemical
- Chemotherapeutic
- Cholinergic
- Coronary dilator
- Dermatic
- Designer drug
- Diagnostic aid
- Diuretic
- Dopamine agonist
- Doping agent
- Emetic
- Endogenous biomolecule/impurity
- Expectorant
- Fungicide
- GABA-Antagonist
- Gestagen
- H2-Blocker
- Hemostatic
- Herbicide
- Hypnotic
- Immunosuppressant
- Incontinence drug
- Ingredient of black pepper
- Ingredient of cannabis
- Ingredient of nutmeg
- Ingredient of opium
- Insecticide
- Laxative
- Local anesthetic
- Muscle relaxant
- Mydriatic
- Neuroleptic
- Nicotine replacement therapeutic
- Nootropic
- Opioid antagonist
- Ovulation stimulant
- Parasympatholytic
- Parasympathomimetic
- Pesticide
- Potent analgesic
- Potent antitussive
- Preservative
- Psychedelic
- Rodenticide
- Rubber additive
- Rubefacient in pepper spray
- Sedative
- Selective estrogen receptor modulator
- Serotonin antagonist
- Softener
- Steroid
- Stimulant
- Sympatholytic
- Sympathomimetic
- Thrombocyte aggregation inhibitor
- Tocolytic
 - Tranquilizer
- Tuberculostatic
- Ulcus therapeutic
- Uricosuric
- Urinary antiseptic
- Vasoconstrictor
- Vasodilator
- Virustatic



[1] Wissenbach DK, Meyer MR, Remane D, Weber AA, Maurer HH. Development of the first metabolite-based LC-MSnurine drug screening procedure - exemplified for antidepressants. (2011) Anal Bioanal Chem. 400:79-88.

Wissenbach DK, Meyer MR, Remane D, Philipp AA, Weber AA, Maurer HH. Drugs of abuse screening in urine as part of a metabolite-based LC-MSnscreening concept. (2011) Anal Bioanal Chem. 400:3481-3489.

 

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