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We demonstrate how the developed analytical strategy based on analysis of fragmentation trees can be used to discriminate between metabolite isomers with the ...
Metabolite identification pipeline based on MS fragmentation ... Metabolite identification plays a crucial role in the interpretation of metabolomics research ...
The Multistage Elemental Formula (MEF) tool is presented in this article to enable the correct assignment of elemental composition to compounds, their fragment ...
This page is a summary of: The pipelined metabolite identification based on MS fragmentation , Journal of Cheminformatics, January 2010, Springer Science + ...
Metabolite identification pipeline based on MS fragmentation ; English · ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY · 239 · Published - 2010 ...
(PDF) The pipelined metabolite identification based on MS ...
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Computational pipelines have become a crucial part of modern drug discovery campaigns. Setting up and maintaining such pipelines, however, can be challenging ...
The NMR/MS² approach is well suited to the discovery of new metabolites in plant extracts, microbes, soils, dissolved organic matter, food extracts, biofuels, ...
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In this paper, a computational pipeline is proposed to assist metabolite identification with improved metabolome coverage and prioritization capability.
Jan 31, 2013 · The results presented here demonstrate how this metabolite identification pipeline can be used to identify metabolites using MSn data from ...
In this minireview we will discuss the technique of LC-MS metabolomics from sampling to generating meaningful results, highlighting important pitfalls.