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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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Bibliografski detalji
Izdano u:J Cheminform
Glavni autori: Ruttkies, Christoph, Schymanski, Emma L., Wolf, Sebastian, Hollender, Juliane, Neumann, Steffen
Format: Artigo
Jezik:Inglês
Izdano: Springer International Publishing 2016
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC4732001/
https://ncbi.nlm.nih.gov/pubmed/26834843
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-016-0115-9
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