Reexamining the phenolic composition of commonly consumed Brazilian fruits by using metabolomics tools

This study investigates the phenolic composition of the five most widely consumed fruits in Brazil (banana, apple, orange, papaya, and mango) using a metabolomics-guided approach via LC-ESI-QToF. Both extractable phenolic compounds (EPC) and non-extractable phenolic compounds (NEPC), obtained through acid and alkaline hydrolysis, were comprehensively analyzed. The integration of advanced metabolomics tools, including Global Natural Products Social Molecular Networking (GNPS), SIRIUS, and MS-FINDER, enabled dereplication, structural annotation, and compound identification. GNPS-based molecular networking revealed distinct clustering profiles for each fruit and highlighted unique phenolic markers. The combined application of MS-FINDER and SIRIUS enhanced annotation confidence, complementing GNPS spectral matching. This integrative strategy effectively unraveled the phenolic complexity of Brazilian fruits and underscored the value of metabolomics platforms for in-depth phytochemical profiling.