HAMMER: automated operation of mass frontier to construct in silico mass spectral fragmentation libraries

Summary: Experimental MS(n) mass spectral libraries currently do not adequately cover chemical space. This limits the robust annotation of metabolites in metabolomics studies of complex biological samples. In silico fragmentation libraries would improve the identification of compounds from experimen...

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Detalles Bibliográficos
Autores principales: Zhou, Jiarui, Weber, Ralf J. M., Allwood, J. William, Mistrik, Robert, Zhu, Zexuan, Ji, Zhen, Chen, Siping, Dunn, Warwick B., He, Shan, Viant, Mark R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2014
Materias:
Applications Notes
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3928522/
https://www.ncbi.nlm.nih.gov/pubmed/24336413
http://dx.doi.org/10.1093/bioinformatics/btt711

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