Physicochemical and molecular transformation of novel functional peptides from Baijiu

•Six novel peptides present in Feng-flavor Baijiu were identified and confirmed.•M−G−S with amphiphilicity was utilized to adsorb peptides in complex Baijiu matrix.•NMR was used for characterizing structure of identified peptides present in Baijiu.•PRM combined with internal standard method was used for qualification of peptides.•Source and migration mechanisms of peptides present in Baijiu were clarified.