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Published:
Journal of Analytical Toxicology,
ISSN 0146-4760,
Volume 26, Number 3, April,
pp. 149-157
Advances in the Use of Mass Spectral Libraries for Forensic
Toxicology
Beat Aebi and Werner Bernhard
Institute of Legal Medicine, University of Berne, Buehlstrasse 20, CH-3012 Berne,
Switzerland
Gas chromatography in combination
with mass spectrometry (GC–MS) plays an important role in the field of
analytical toxicology. The identification of unknown compounds is very frequently
undertaken with GC–MS and utilizing mass spectral libraries. Currently
available libraries for analytical toxicology were compared for overlapping
and uniqueness of their entries. Furthermore, the widely known Pfleger-Maurer-Weber-Drugs-and-Pesticides-Library
for toxicology (PMW_tox2) was used to compare the search algorithms PBM (Probability
Based Matching, Agilent Technologies), INCOS (Finnigan/Thermoquest), and MassLib
(Max Planck Institute). To our knowledge, direct comparisons of mass spectral
libraries and search programs for analytical toxicology have not been published
previously. The capabilities and necessities of modern MS technology in the
field of general unknown analysis are revealed, and some of the potential pitfalls
are described. Reproduction
of editorial content of this journal is prohibited without publisher’s
permission.
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