Xiao Jun Feng, Zhou Bin, Ressom Habtom W
Department of Oncology, Lombardi Comprehensive Cancer Center, Georgetown University, 4000 Reservoir Rd., NW, Washington DC, 20057.
Trends Analyt Chem. 2012 Feb 1;32:1-14. doi: 10.1016/j.trac.2011.08.009.
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.
代谢组学旨在检测和定量生物样品中的所有代谢物。具有各种各样物理化学性质和不同丰度水平的代谢物的存在，对用于代谢物鉴定和定量的现有分析平台提出了挑战。人们已经做出了巨大努力来改进代谢组学研究的分析和计算方法。本综述重点关注液相色谱-串联质谱（LC-MS/MS）在定量和定性代谢组学研究中的应用。它阐述了代谢物鉴定计算方法的最新进展，包括离子注释、光谱解释和光谱匹配。我们还综述了用于代谢物定量的选择反应监测和高分辨率质谱。我们讨论了代谢物鉴定和定量方面当前面临的挑战以及潜在的解决方案。
