Abstract
The locations of double bonds and the linearity of each carbon chain in 5-alk(en)ylresorcinols present in rye and wheat whole flour were determined from collision-activated dissociation (CAD) spectra by tandem mass spectrometry. Among the determined alk(en)ylresorcinols, eleven alkenylresorcinols (C17 to C23) and four alkadienylresorcinols (C19 to C25) had not been previously identified. In this study, we found that identification of a radical-anion fragment peak due to a simple allylic cleavage on the methyl side was essential for determining the locations of double bonds in positionally isomeric alkenylresorcinols. In addition, an analysis of the CAD spectra of lithium-adduct cations as precursor ions was useful for determining the locations of the homoconjugated (Z, Z)-diene group in alkadienylresorcinols.
