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

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

Summary: Experimental MSn 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 experimenta...

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Bibliographic Details
Main Authors: 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.
Format: Online
Language:English
Published: Oxford University Press 2014
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3928522/

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https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3928522/

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