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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...
Autores principales: | Wolf, Sebastian, Schmidt, Stephan, Müller-Hannemann, Matthias, Neumann, Steffen |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
BioMed Central
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2853470/ https://www.ncbi.nlm.nih.gov/pubmed/20307295 http://dx.doi.org/10.1186/1471-2105-11-148 |
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