Liquid chromatography tandem mass spectrometry determination of chemical markers and principal component analysis of Vitex agnus-castus L. fruits (Verbenaceae) and derived food supplements

► The qualitative profile of an hydroalcoholic extract of Vitex agnus-castus fruits has been characterised by LC/ESI/(LIT)MSn. ► For the quantitative determination of the chemical markers, an LC/ESI triple quadrupole (QqQ)/MS2 method has been developed. ► Five commercial hydroalcoholic extracts of V. agnus-castus fruits have been analysed and the chromatographic profiles have been compared by principal component analysis (PCA).