Journal
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
Volume 32, Issue -, Pages 1-14Publisher
ELSEVIER SCI LTD
DOI: 10.1016/j.trac.2011.08.009
Keywords
High-resolution mass spectrometry; Identification; Ion annotation; Liquid chromatography; Metabolite; Metabolomics; Selected reaction monitoring; Spectral interpretation; Spectral matching; Tandem mass spectrometry
Categories
Funding
- NCI [R21 CA153176]
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Metabolomics aims at detection and quantitation of all metabolites in biological samples. The presence of metabolites with a wide variety of physicochemical properties and different levels of abundance challenges existing analytical platforms used for identification and quantitation of metabolites. Significant efforts have been made to improve analytical and computational methods for metabolomics studies. This review focuses on the use of liquid chromatography with tandem mass spectrometry (LC-MS/MS) for quantitative and qualitative metabolomics studies. It illustrates recent developments in computational methods for metabolite identification, including ion annotation, spectral interpretation and spectral matching. We also review selected reaction monitoring and high-resolution MS for metabolite quantitation. We discuss current challenges in metabolite identification and quantitation as well as potential solutions. (C) 2011 Elsevier Ltd. All rights reserved.
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