Structural Elucidation of Sulfaquinoxaline Metabolism Products and Their Occurrence in Biological Samples Using High-Resolution Orbitrap Mass Spectrometry

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• 作者：Rodrigo Barcellos Hoff ; Leonardo Meneghini ; T芒nia Mara Pizzolato ; Maria do Carmo Ruaro Peralba ; M. Silvia D铆az-Cruz ; Dami脿 Barcel贸
• 刊名：Analytical Chemistry
• 出版年：2014
• 出版时间：June 3, 2014
• 年：2014
• 卷：86
• 期：11
• 页码：5579-5586
• 全文大小：413K
• 年卷期：v.86,no.11(June 3, 2014)
• ISSN：1520-6882

文摘

Four previously unreported metabolism products of sulfaquinoxaline (SQX), a widely used veterinary medicine, were isolated and analyzed using liquid chromatography coupled to high-resolution Orbitrap mass spectrometry. Metabolites were structurally elucidated, and a fragmentation pathway was proposed. The combination of high-resolution MS² spectra, linear ion trap MS², in-source collision-induced dissociation (CID) fragmentation, and photolysis were used to analyze SQX and its metabolites. All metabolism products identified showed a similar fragmentation pattern to that of the original drug. Differential product ions were produced at m/z 162 and 253 which contain the radical moiety with more 16 Da units than sulfaquinoxaline. This occurs by a hydroxyl attachment to the quinoxaline moiety. With the exception of two low-intensity compounds, all the mass errors were below 5.0 ppm. The distribution of these metabolites in some animal species are also presented and discussed.