Broeckling, C.D., Reddy, I.R., Duran, A.L., Zhao, X., Sumner, L.W. MET-IDEA: a data extraction tool for mass spectrometry-based metabolomics, Analytical Chemistry, 2006 Jul 1;78(13):4334-41.

Abstract
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 semi-quantitative data from raw data files, which allows for more rapid biological insight. MET-IDEA is freely available to academic users upon request.

To access the software package (~80MB), please direct your browser to bioinfo.noble.org/download/ and complete the registration process. Upon completion an automated reply will be sent to you with another URL for downloading the software. Please feel free to direct your colleagues to this site as well; however we ask that you not distribute the software directly. This will allow us to better track usage and impact.

If you need more details about the software, access to Broeckling et al, MET-IDEA: data extraction tool for mass spectrometry-based metabolomics. Anal Chem. 2006 Jul 1;78(13):4334-41 is available on-line to ~ the first 50 persons. pubs.acs.org/reprint-request?ac0521596/s49S