Hans H. Maurer, Dirk K. Wissenbach, Armin A. Weber

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.

Introduction

Specifications

DVD-ROM

Maurer/Wissenbach/Weber

LC-MSn Library ofDrugs, Poisons, and

Their Metabolites

Hans H. Maurer Dirk K. Wissenbach

Armin A. Weber

• Spectra: >10,000

• Structures: 6,000

• Toxicologically Relevant Compounds: 1,500

• Metabolites/Artifacts: 3,000

• Endogenous Molecules/Impurities: 50

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

Compound Coverage

Compatibility

Compound coverage for individual compounds can be verified at www.compoundsearch.com:

Compatible with:

• NIST • Bruker • Thermo

Ordering Information

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

ISBN: 978-3-527-3374-2

Authors

• 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

After having published several editions of the unique Maurer/Pfleger/Weber: Mass Spectral Library of Drugs, Poisons, Pesticides, Pollutants and their Metabolites, Wiley-VCH, Weinheim (Germany), Hans H. Maurer started in 2008 together with his coworkers Dirk K. Wissenbach and Armin A. Weber to develop this first metabolite-based LC-MSn library of Drugs, Poisons, and their Metabolites. Under guidance of Hans Maurer, Dirk K. Wissenbach developed the corresponding urine drug screening during his PhD studies and the mass spectra collected for this screening have been the basis of this new library. After completion of his PhD, he moved to the Helmholtz Centre for Environmental Research in Leipzig, Germany, where he is involved in MS-based research on the environmental impact on the human metabolome. Armin A. Weber, already coauthor of the GC-MS library, is involved in various research projects and particularly responsible for all technical and software developments also for this data collection.

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