Disposition and fate of polyoxyethylene glycerol ricinoleate as determined by LC-Q-TOF MS coupled with MSALL, SWATH and HR MS/MS techniques
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Abstract Liquid chromatography/mass spectrometry (LC/MS) and liquid chromatography/tandem mass spectrometry (LC/MS/MS) were applied to characterize drug metabolites. Although these two methods have overcome the identification and structural characterization of metabolites analysis, they remain time‐consuming processes. In this study, a novel multiple‐stage tandem mass spectrometric method (MS n ) was evaluated for identification and characterization of new minor metabolism profiling of penicillin G, one of the β‐lactam antibiotics, in human serum. Seven minor metabolites including five phase I metabolites and two phase II metabolites of penicillin G were identified by using data‐dependent LC/MS n screening in one chromatographic run. The accuracy masses of seven identified metabolites of penicillin G were also confirmed by mass spectral calibration software (MassWorks™). The proposed data‐dependent LC/MS n method is a powerful tool to provide large amounts of the necessary structural information to characterize minor metabolite in metabolism profiling. Copyright © 2010 John Wiley & Sons, Ltd.
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Tandem mass spectrometry has become a powerful tool for basic and applied mass spectrometry studies. Mass spectrometers based on ion trapping techniques, such as the quadrupole ion trap, have some unique capabilities as tandem mass spectrometers. Of particular note are the high MS–MS efficiency, the ability to perform multiple stages of tandem spectrometry (MSn), and the ability to effect ion–molecule reactions as part of the experimental sequence. This paper discusses the MSn experiment in a quadrupole ion trap and provides several examples of MSn experiments in which ion–molecule reactions are incorporated as one or more steps in the experiment. Examples include one in which MSn is used to determine the structure of an ion–molecule reaction product, one that involves multiple stages of collision-induced dissociation to generate a 13C containing reactant ion for an isotopic study, and one in which ion–molecule reactions are used to differentiate isomeric ion structures.
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