Advances in the use of mass spectral libraries for forensic toxicology.
J Anal Toxicol
; 26(3): 149-56, 2002 Apr.
Article
em En
| MEDLINE
| ID: mdl-11991531
ABSTRACT
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.
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Base de dados:
MEDLINE
Assunto principal:
Toxicologia
/
Bases de Dados Factuais
/
Medicina Legal
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Cromatografia Gasosa-Espectrometria de Massas
Idioma:
En
Ano de publicação:
2002
Tipo de documento:
Article