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Structural characterization of in vitro rat liver microsomal metabolites of antihistamine desloratadine using LTQ-Orbitrap hybrid mass spectrometer in combination with online hydrogen/deuterium exchange HR-LC/MS

✍ Scribed by Guodong Chen; Ibrahim Daaro; Birendra N. Pramanik; John J. Piwinski

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
216 KB
Volume
44
Category
Article
ISSN
1076-5174

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✦ Synopsis

Abstract

In vitro drug metabolism study is an integral part of drug discovery process. In this report, we have described the application of LTQ‐Orbitrap hybrid mass spectrometer in conjunction with online hydrogen (H)/deuterium (D) exchange high resolution (HR)‐LC/MS for structural characterization of in vitro rat liver microsomal metabolites of antihistamine desloratadine. Five metabolites M1M5 have been identified, including three hydroxylated metabolites M1M3, one N‐oxide M4 and one uncommon aromatized N‐oxide M5. Accurate mass data have been obtained in both full scan and MS^n^ mode support assignments of metabolite structures with reported mass errors less than 3 ppm. Online H/D exchange HR‐LC/MS experiments provide additional evidence in differentiating hydroxylated metabolites from N‐oxides. This study demonstrates the effectiveness of this approach in structural characterization of drug metabolites. Copyright © 2008 John Wiley & Sons, Ltd.

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