Introduction

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.

Publications

  1. MET-IDEA: data extraction tool for mass spectrometry-based metabolomics.
    Cite this
    Broeckling CD, Reddy IR, Duran AL, Zhao X, Sumner LW, 2006-07-01 - Analytical chemistry

Credits

  1. Corey D Broeckling
    Developer

  2. Indira R Reddy
    Developer

  3. Anthony L Duran
    Developer

  4. Xuechun Zhao
    Developer

  5. Lloyd W Sumner
    Investigator

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Summary
AccessionBT000372
Tool TypeApplication
Category
PlatformsWindows
Technologies
User InterfaceTerminal Command Line
Download Count0
Submitted ByLloyd W Sumner