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A software tool for the alignment of large GC-MS-based metabolite profiling experiments into statistically accessible data matrices. The matrix generation is directed by co-analysis of retention index (RI) marker substances within each chromatogram and the simultaneous in-parallel analysis of mixtures of reference compounds is recommended. In addition, we offer automated extraction of quantitative data from predefined mass fragments, time groups of mass fragments or clusters of intensity-correlated mass fragments. TagFinder is freely available for academic use.


An open source tool which is a flexible and accurate method for pre-processing very large numbers of GC-MS samples within hours. A novel strategy was developed to iteratively correct and update retention time indices for searching and identifying metabolites. TargetSearch includes a graphical user interface to allow easy use by those unfamiliar with R. It allows fast and accurate data pre-processing for GC-MS experiments and overcomes the sample number limitations and manual curation requirements of existing software.