MET-IDEA: Data extraction tool for mass spectrometry-based metabolomics
MET-IDEA: Data extraction tool for mass spectrometry-based metabolomics
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DOI：
10.1021/ac0521596
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发表时间：
2006-07-01
影响因子：
7.4
通讯作者：
Sumner, Lloyd W.
中科院分区：
文献类型：
--
作者：
Broeckling, Corey D.;Reddy, Indira R.;Sumner, Lloyd W.
代谢组学目前的一个重要限制是将原始色谱耦合质谱数据集大规模高通量转换为进一步统计处理和数据可视化所需的有组织数据矩阵。本文介绍了一种新的数据提取工具，MET-IDEA（代谢组学基于离子的数据提取算法），它克服了这一空白。MET-IDEA与多种色谱耦合质谱系统兼容，生成类似于传统定量方法的输出，利用与选定离子定量相关的灵敏度和选择性，并大大减少获得大规模组织数据集所需的时间和精力。MET-IDEA的功能说明使用代谢组学数据引起的细胞培养渗出物从模式豆科植物，蒺藜苜蓿。结果表明，MET-IDEA能够从原始数据文件中快速提取半定量数据，从而可以更快速地了解生物学。MET-IDEA可应要求免费提供给学术用户。
A current and significant limitation to metabolomics is the large-scale, high-throughput conversion of raw chromatographically coupled mass spectrometry datasets into organized data matrices necessary for further statistical processing and data visualization. This article describes a new data extraction tool, MET-IDEA (Metabolomics Ion-based Data Extraction Algorithm) which surmounts this void. MET-IDEA is compatible with a diversity of chromatographically coupled mass spectrometry systems, generates an output similar to traditional quantification methods, utilizes the sensitivity and selectivity associated with selected ion quantification, and greatly reduces the time and effort necessary to obtain large-scale organized datasets by several orders of magnitude. The functionality of MET-IDEA is illustrated using metabolomics data obtained for elicited cell culture exudates from the model legume, Medicago truncatula. The results indicate that MET-IDEA is capable of rapidly extracting semiquantitative data from raw data files, which allows for more rapid biological insight. MET-IDEA is freely available to academic users upon request.