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Computational mass spectrometry for small molecules

The identification of small molecules from mass spectrometry (MS) data remains a major challenge in the interpretation of MS data. This review covers the computational aspects of identifying small molecules, from the identification of a compound searching a reference spectral library, to the structu...

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Detalles Bibliográficos
Autores principales: Scheubert, Kerstin, Hufsky, Franziska, Böcker, Sebastian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648359/
https://www.ncbi.nlm.nih.gov/pubmed/23453222
http://dx.doi.org/10.1186/1758-2946-5-12