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In Silico Optimization of Mass Spectrometry Fragmentation Strategies in Metabolomics

Liquid chromatography (LC) coupled to tandem mass spectrometry (MS/MS) is widely used in identifying small molecules in untargeted metabolomics. Various strategies exist to acquire MS/MS fragmentation spectra; however, the development of new acquisition strategies is hampered by the lack of simulato...

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Detalhes bibliográficos
Publicado no:Metabolites
Main Authors: Wandy, Joe, Davies, Vinny, van der Hooft, Justin J. J., Weidt, Stefan, Daly, Rónán, Rogers, Simon
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2019
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6836109/
https://ncbi.nlm.nih.gov/pubmed/31600991
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/metabo9100219
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