LC-MS based metabolomics study of different parts of myrtle berry from Sardinia (Italy)

BACKGROUND: Myrtle berries have had a long history of application in the perfumery, cosmetic, food and pharmaceutical industries as well as being used for the industrial formulation of typical sweet liqueurs. However, no data is currently available on the metabolite composition and distribution in the different parts of the berry. OBJECTIVE: In the present study a metabolomics approach followed by multivariate data analysis and phytochemical characterization of (poly) phenolic metabolites, using liquid chromatography coupled with high resolution mass spectrometry, was developed to identify novel markers in different parts of myrtle berries and to understand which part of the fruit has the most influence on the metabolomics classification of berries, based on geographic origin of the plant and the cultivars. RESULTS: By using LC-ESI-Orbitrap-MS analysis, 35 compounds were tentatively identified on the base of their retention time, UV/Vis spectra,MSspectra andMSfragmentation patterns. 19 compounds, pertaining mainly to polyphenol compounds like flavonoids and to a new class of hydrolysable tannins, were detected and identified for the first time in these berries (mainly in seeds). CONCLUSIONS:Byusing multivariate statistical analysis, predictive classification models for authenticity and geographical origin, assessment was obtained.With this study, flavonoids and anthocyanins, mainly found in the peel and pulp of the myrtle berry, were recognized as putative marker compounds to assess the geographic origin of these berrie