Metabolomic characterization of 5 native Peruvian chili peppers (Capsicum spp.) as a tool for species discrimination

•Metabolomic fingerprints as an alternative for species discrimination.•Seven capsaicinoids phenols have been identified in the five native chili peppers.•Fifteen biomarkers of C. baccatum, C. chinense and C. frutescens were annotated.•Classification model confirms stability of biomarkers across diverse localization.•This untargeted LCMS metabolomic workflow suitable for species discrimination.