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MetFrag relaunched: incorporating strategies beyond in silico fragmentation

BACKGROUND: The in silico fragmenter MetFrag, launched in 2010, was one of the first approaches combining compound database searching and fragmentation prediction for small molecule identification from tandem mass spectrometry data. Since then many new approaches have evolved, as has MetFrag itself....

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Detalles Bibliográficos
Autores principales: Ruttkies, Christoph, Schymanski, Emma L., Wolf, Sebastian, Hollender, Juliane, Neumann, Steffen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4732001/
https://www.ncbi.nlm.nih.gov/pubmed/26834843
http://dx.doi.org/10.1186/s13321-016-0115-9