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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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Autori principali: Wolf, Sebastian, Schmidt, Stephan, Müller-Hannemann, Matthias, Neumann, Steffen
Natura: Artigo
Lingua:Inglês
Pubblicazione: BioMed Central 2010
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Accesso online: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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