Metabolite fingerprinting of the ripening process in Pixian douban using a feature-based molecular network and metabolomics analysis

The unique flavor of Pixian douban (PXDB) is widely acknowledged to be associated with its maturation process. However, there is limited knowledge about the non-volatile metabolites that contribute to this flavor. To bridge this gap, this study employed a metabolomics approach and a feature-based molecular network (FBMN) analysis to investigate the non-volatile metabolite fingerprints of PXDB during its two-year maturation process. Specifically, the FBMN tool was utilized to annotate the flavonoid, amide derivatives, and lipid components of PXDB for the first time. Subsequently, the MolNetEnhancer tool was employed to complement the FBMN annotation and identify eight substructural components. Finally, metabolomics analysis was carried out to identify 45 key metabolites involved in flavor formation across 10 major metabolic pathways (p < 0.05). Overall, the findings of this study have significantly expanded our understanding of the non-volatile metabolite fingerprinting and flavor formation mechanisms.