Sharper peaks, better separations

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

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

Hans H. Maurer, Dirk K. Wissenbach, Armin A. Weber
ISBN: 978-3-527-33742-2
Apr 2014

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 LCMSnscreening 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