Web-based resources for mass-spectrometry-based metabolomics: A user's guide
Web-based resources for mass-spectrometry-based metabolomics: A user's guide
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DOI：
10.1016/j.phytochem.2009.02.004
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发表时间：
2009-03-01
期刊：
影响因子：
3.8
通讯作者：
Fernie, Alisdair R.
中科院分区：
文献类型：
--
作者：
Tohge, Takayuki;Fernie, Alisdair R.
近年来，出现了大量旨在支持基于质谱的代谢物分析和代谢组学应用的基于网络的工具。鉴于植物界中存在的代谢物的化学多样性和动态范围所带来的巨大障碍，分析各种代谢物的水平是非常具有挑战性的。考虑到定义植物代谢组所涉及的规模和成本，在追求这一目标的实验室之间有效地共享数据至关重要。然而，确保在同一实验室内的同一台机器上运行的样品的准确比较，更不用说跨机器和跨实验室的比较，需要仔细的实验和数据解释。在这篇综述中，我们提出了一个概述，目前可用的软件，无论是在峰识别或在相关领域的峰对齐，以及在定义化合物和代谢途径的结构信息的实用程序。(C)2009爱思唯尔有限公司保留所有权利。
In recent years, a plethora of web-based tools aimed at supporting mass-spectrometry-based metabolite profiling and metabolomics applications have appeared. Given the huge hurdles presented by the chemical diversity and dynamic range of the metabolites present in the plant kingdom, profiling the levels of a broad range of metabolites is highly challenging. Given the scale and costs involved in defining the plant metabolome, it is imperative that data are effectively shared between laboratories pursuing this goal. However, ensuring accurate comparison of samples run on the same machine within the same laboratory, let alone cross-machine and cross-laboratory comparisons, requires both careful experimentation and data interpretation. In this review, we present an overview of currently available software that aids either in peak identification or in the related field of peak alignment as well as those with utility in defining structural information of compounds and metabolic pathways. (C) 2009 Elsevier Ltd. All rights reserved.