Seven lignin oligomer model compounds (ranging in size from dimers to an octamer) with 5-5 and/or �-O-4 linkages were synthesized, evaporated and ionized using negative-ion mode ESI in a linear quadrupole ion trap mass spectrometer, and their collision-activated dissociation (CAD) patterns (MS2 experiments) were studied. Deprotonated compounds with both 5-5 and �-O-4 linkages showed major charge-remote losses of aromatic monomers, dimers and trimers. Small amounts of charge-driven fragmentations were also found. For compounds with only �-O-4 linkages, both charge-driven and charge-remote fragmentations were observed. Losses of H2O and CH2O also occurred for all deprotonated model compounds. Examination of the fragmentation patterns of the deprotonated model compounds revealed characteristic ion groups that, when combined with their CAD products (MS3 experiments), can be used to sequence unknown oligomers.

Sequencing lignin oligomer model compounds with �-O-4 and 5-5 linkages by using (-)ESI tandem mass spectrometry

247th National Meeting (2014)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.