Shimadzu delivers an integrated solution for accelerating metabolite identification using high mass accuracy MSn data

Shimadzu Corporation has announced an integrated approach to metabolite identification which maximizes the information from data-dependent high mass accuracy MSn acquisitions and accelerates effective reporting using a novel statistical-based approach.

The new platform helps researchers to find metabolites quickly using a multivariate statistical algorithm that relates parent fragment ions to predicted metabolites. As the data are acquired using high mass accuracy and MSn, the MetID Solutions software searches for common ion signatures between the parent drug compound and potential metabolites. This process eliminates most of the extraneous chromatographic peaks and ions that typically complicate this type of analysis. The result is a platform that is a highly effective tool in metabolite identification and verification.

MetID Solutions software has been designed with an open architecture to support not only statistics-based metabolite analysis but also conventional peak processing routines, which include mass defect, control file subtraction and user-defined biotransformation lists. To help visualize chemical structures and refine targeted biotransformation lists, MetID Solutions can also be integrated with predictive drug metabolism software applications.

Kozo Shimazu, Corporate Officer, Deputy General Manager for Mass Spectrometry and Life Science at Shimadzu Corporation, stated: “We fully recognize the significance of metabolite ID in the process of drug development. This critical step is often a rate limiting factor in effective drug targeting. With the development of MetID Solutions software integrated with the LCMS-IT-TOF mass spectrometer we believe we have a unique approach to help accurately find metabolites and provide unequivocal data for decision making in metabolite studies.”