Characterisation of avocado fruits from different Iberian regions: Integrating ion mobility in non-targeted LC-MS metabolomics

This study investigates the metabolic profile of Hass avocado fruits from eight Iberian regions using an advanced UHPLC-TimsTOF MS/MS analytical platform, with the hypothesis that distinct edaphoclimatic conditions give rise to region-specific metabolomic signatures. A comprehensive profiling of the methanolic extracts was performed to construct a metabolic library incorporating ion mobility descriptors. By applying unsupervised chemometrics-assisted non-targeted metabolomics, avocado fruits clustered according to geographical proximity, with the most significant metabolic differences observed between the northern and southern regions. Despite this general trend, each region exhibited distinct metabolic patterns, even between neighbouring areas. To further delineate the region-specific metabolic compositions, multiple two-class orthogonal partial least squares discriminant analysis (OPLS-DA) models were designed to identify the most influential variables in the projections, leading to the discovery of origin-specific biomarkers characteristic of avocados from each growing area. This research offers valuable information on how regional edaphoclimatic factors impact avocado quality and compositional diversity.