In silico fragmentation for computer assisted identification of metabolite mass spectra

<p>Abstract</p> <p>Background</p> <p>Mass spectrometry has become the analytical method of choice in metabolomics research. The identification of unknown compounds is the main bottleneck. In addition to the precursor mass, tandem MS spectra carry informative fragment pe...

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Bibliographic Details
Main Authors: Müller-Hannemann Matthias, Schmidt Stephan, Wolf Sebastian, Neumann Steffen
Format: Article
Language:English
Published: BMC 2010-03-01
Series:BMC Bioinformatics
Online Access:http://www.biomedcentral.com/1471-2105/11/148