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Bruker Daltonics Launches MetaboliteTools Software

07 Jun 2002 - ORLANDO, Fla., Jun 4, 2002 - At the 2002 American Society for Mass Spectrometry conference, Bruker Daltonics Inc. introduces MetaboliteTools™, a novel software package for automated and interactive drug metabolism identification.
 
MetaboliteTools includes several modules for prediction, detection, and identification of drug metabolites based on the chemical structure of the parent drug. It can be used for both, detailed compound characterization and structure elucidation, as well as high-throughput automated metabolite detection. MetaboliteTools can be used interactively with the acquisition software of our esquire™ ion trap systems for intelligent data acquisition feedback in directed LC/MS/MS experiments. With this approach, MS/MS spectra of metabolites at extremely low abundance can be measured for structural confirmation or library search.
 
Our new bioinformatics package incorporates a MetabolitePredict™ module which predicts possible metabolites based on parent drug biotransformation rules. The MetaboliteDetect™ module uses eXpose™ technology, which offers unique capabilities to extract drug metabolite information by comparison of sample and control LC/MS datasets. The novel eXpose method uses a sophisticated detection algorithm to extract low-level metabolites even in the presence of abundant biological matrices, e.g. in plasma.