A tool operating in the Taverna environment for putative identification of metabolites from accurate mass data acquired in mass spectrometry-based metabolic profiling studies. Three workflows perform the following steps. (Step 1) Generation of a list of pairwise peak correlations required for input to workflow 2 (workflow 1) (Step 2) Annotation of features to group different ion types of the same metabolite based on mass differences, similar retention times and correlation coefficient between peak responses (workflow 2). (Step 3) Matching of accurate m/z to the accurate mass of neutral molecules and associated molecular formula in a reference file within a specified mass tolerance (workflow 2). (Step 4) Matching of the molecular formulae to a reference file of metabolites (workflow 3).