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In silico fragmentation for computer assisted identification of metabolite mass spectra

BACKGROUND: 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 peaks, but the coverage of spectral libraries of measured...

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Detalhes bibliográficos
Main Authors: Wolf, Sebastian, Schmidt, Stephan, Müller-Hannemann, Matthias, Neumann, Steffen
Formato: Artigo
Idioma:Inglês
Publicado em: BioMed Central 2010
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2853470/
https://ncbi.nlm.nih.gov/pubmed/20307295
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1471-2105-11-148
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