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- Title
Rapid Metabolite Identification using Accurate and MS<sup>n</sup> Mass Spectra in Combination with Smart Processing Tools.
- Authors
Zurek, Gabriela; Herzog, Woif-Dietrich; Germanus, Andreas; Räther, Oliver; Krone, Volker; Ingendoh, Arnd; Bäßmann, Carsten
- Abstract
The rapid identification of metabolites in early drug discovery studies has always been a challenge, and LC-MS methods have become an integral part of this process. Identification by mass spectrometry can be achieved via different approaches: accurate mass data and/or characteristic fragmentation. Orthogonal electrospray time-of-flight (ESI-TOF) instruments combine high mass accuracy and high resolution, whereas quadrupole ion traps are established for the generation of MS data. This article presents a workflow using the combination of ESI-TOF and ion trap data and MetaboliteTools for the reliable identification of testosterone metabolites.
- Subjects
METABOLITES; BIOMOLECULES; MASS spectrometry; TESTOSTERONE; ION traps; IONIC mobility
- Publication
LC-GC Europe, 2004, Vol 17, p24
- ISSN
1471-6577
- Publication type
Article