Gas chromatography (GC) coupled to mass spectroscopy (MS) relies on two cornerstones to identify metabolites in complex samples typically derived from plants. First, the retention index (RI, i.e. Kovats retention index), which is a number derived from the retention time and describes the chromatographic behaviour of the substances in a particular chromatographic setup. Second, the mass spectrum as shown here for Alanine (2TMS). We combine these features for convenience in to a mass spectral tag (MST) and link MSTs to the appropriate analytes.