September 23 - 24, 2003, Obernai, France, ACD/Labs European Users' Meeting

Fragment Prediction for Structural Elucidation Studies

Mark Bayliss

Abstract

Over the years of development in ACD/MS Manager, our algorithms and developments in MS fragmentation assignment have continued version after version. The quality of the fragmentation results have also been improved year on year. In the release of the version 7.x software platform, we also released ACD/MS Fragmenter, built on the same fragmentation engine that is used within MS Autoassignment. Designed as a standalone package, MS Fragmenter provides a structural connectivity map of how a structure fragments during gas phase dissociation at various levels of energetic activation using the latest version of the fragmentation rule set. During the presentation, we aim to present the newly created interface and the feature set contained within MS Fragmenter as an aide to structural elucidation and fragmentation assignment.

Download the presentation in MS PowerPoint (1916 kb ZIP file) or Adobe Acrobat format (3695 kb PDF file).

Relevant Products: MS Fragmenter