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Drug Metabolism Letters


ISSN (Print): 1872-3128
ISSN (Online): 1874-0758

Mass Defect Filtering on High Resolution LC/MS Data as a Methodology for Detecting Metabolites with Unpredictable Structures: Identification of Oxazole-Ring Opened Metabolites of Muraglitazar

Author(s): Donglu Zhang, Peter T. Cheng and Haiying Zhang

Volume 1, Issue 4, 2007

Page: [287 - 292] Pages: 6

DOI: 10.2174/187231207783221466

Price: $65


This study describes the application of the mass defect filter method for the detection of two unpredicted oxazole- ring opened metabolites of muraglitazar in the feces of humans following oral administration. Unlike other muraglitazar metabolites, these metabolites formed little to no protonated ions, and the NH4 + or Na+ adduct ions that were formed were weak and not discernible from fecal interferences even after background subtraction. With mass defect filtering on high resolution LC/MS data, the resulting total ion chromatogram and the simplified mass spectra allowed for the identification and characterization of these metabolite ions, and their structures were confirmed by synthesis.

Keywords: Mass defect filter, metabolite detection, metabolite profiling, Muraglitazar

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