October 9 - 11, 2001. Princeton, NJ, USA, Chemical and Pharmaceutical Structure Analysis

Use of ACD interpretation software within automated Metabolite Identification

Abstract

Scientists responsible for the analysis of metabolites are applying advanced techniques in Mass Spectrometry to detect and identify these species. One particular feature of ACD/MS Manager is highlighted: the ability to assess a potential metabolite by automated comparison of its fragmentation pattern to that observed experimentally. This presentation also highlights challenges that are still to be overcome in both experimental technique and supporting software.

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