Identification of non-volatile compounds that negatively impact whole wheat bread flavor liking

•Untargeted LC–MS profiling OPLS models predict consumer liking of whole wheat bread.•Trihydroxy fatty acids and phosphocholine were highly predictive compounds.•The predictive compounds identified were bitter.•Recombination models demonstrated sensory contribution to bitter perception.•Flour lipoxygenase was reported to impact trihydroxy fatty acid compound formation.