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LC-HR-MS/MS Library of Drugs, Poisons, and Their Metabolites
ISBN: 978-3-527-34338-6

A major goal in clinical and forensic as well as in doping laboratories is a broad screening procedure for detection of toxic compounds or drugs of abuse. In addition to GC-MS and LC-MSn screening techniques, LC-high-resolutiontandem
mass spectrometry (LC-HR-MS/MS) provides various advantages for screening approaches such as higher versatility, sensitivity and specificity.
The Maurer/Meyer/Helfer/Weber LC-HR-MS/MS Library of Drugs, Poisons, and Their Metabolites is the basis for metabolite-based screening procedures described for various drug classes.

Detection of metabolites increases 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. The LC-HR-MS/MS
library features over 2,000 parent drugs or poisons, and over 3,000 of their metabolites or artifacts in over 95 compound classification groups.


Refer to your manufacturer’s software manual for specifics

  • Thermo™ TraceFinder™
  • NIST MS Search

Software/Library Workflow
TraceFinder™ and MS Search Software can be used to screen a sample containing unknown analytes against the MMHW LC-HR-MS/MS Library using the workflow, below, and accepted screening methods.

The MMHW library consists of the following compound data :

Compound name, Empirical formula, Exact molecular mass (u) and precursor mass, Five most intensive fragments, Polarity, Retention time (min), CAS number, Category

Author Biographies:

Hans H. Maurer has been full Professor of Pharmacology & Toxicology at the Faculty of Medicine and at the Faculty of Pharmacy, Saarland University from 1992 until October 2016. He was head of the Department of Experimental and Clinical Toxicology and is now Emeritus Professor at the same department. His main two areas of research are analytical toxicology (GC-MS, LC-MS of drugs, poisons and their metabolites) and in-vitro and in-vivo toxicokinetics (phase I and phase II metabolism, isoenzyme identification, drug transporters, pharmacogenomics, biotechnological metabolite synthesis). He has published extensively in both areas: over 300 peer-reviewed original papers, reviews articles, and three mass spectral libraries. He is editorial board member of various international journals and received several international scientific awards, e.g. 1997 the IATDMCT Irving Sunshine Award, 2003 the TIAFT Alan Curry Award, and 2017 the GTFCh Jean-Servais Stas Medal. In 2007, he received an Honorary Doctorate (Doctor honoris causa) of the Ghent University in Belgium for his outstanding scientific achievements. He was president of IATDMCT (2007-2009) and is councilor of TIAFT (2005-2017) and treasurer of GTFCh (1987-2017). From 2012-2014, he was Dean of the Faculty 2, Theoretical Medicine and Biosciences, of the Saarland University in Homburg. Since 2013, he is member of the expert committee of the German Federal Government for scheduling new drugs of abuse.

Markus R. Meyer is his successor since October 2016 as full Professor and head of the Department of Experimental and Clinical Toxicology. After PhD and habilitation in Homburg, he moved to the Department of Clinical Pharmacology at the Karolinska Institute in Stockholm and thereafter to that of the Heidelberg University.

Under guidance of Hans H. Maurer and Markus R. Meyer, Andreas G. Helfer developed the corresponding urine and blood drug screening during his PhD studies and the mass spectra collected for these screening approaches have been the basis of this new library. Armin A. Weber, already coauthor of the GC-MS and LC-MSn libraries, is involved in various research projects and particularly responsible for all technical and software developments also for this data collection.