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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Detalles Bibliográficos
Autores principales: Wandy, Joe, Davies, Vinny, van der Hooft, Justin J. J., Weidt, Stefan, Daly, Rónán, Rogers, Simon
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6836109/
https://www.ncbi.nlm.nih.gov/pubmed/31600991
http://dx.doi.org/10.3390/metabo9100219

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6836109/
https://www.ncbi.nlm.nih.gov/pubmed/31600991
http://dx.doi.org/10.3390/metabo9100219

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