Development and In silico Evaluation of Large-Scale Metabolite Identification Methods using Functional Group Detection for Metabolomics

Development and In silico Evaluation of Large-Scale Metabolite Identification Methods using Functional Group Detection for Metabolomics

Large-scale identification of metabolites is key to elucidating and modeling metabolism at the systems level. Advances in metabolomics technologies, particularly ultra-high resolution mass spectrometry enable comprehensive and rapid analysis of metabolites. However, a significant barrier to meaningf...

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Bibliographic Details
Main Authors: Joshua M Mitchell, Teresa Whei-Mei Fan, Andrew N Lane, Hunter N.B. Moseley
Format: Article
Language:English
Published: Frontiers Media S.A. 2014-07-01
Series:Frontiers in Genetics
Subjects:
Metabolomics
graph theory
chemical adduct
chemoselection
Fourier transform mass spectrometry
isotope-edited NMR
Online Access:http://journal.frontiersin.org/Journal/10.3389/fgene.2014.00237/full

Internet

http://journal.frontiersin.org/Journal/10.3389/fgene.2014.00237/full

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