Friday, 6 October 2006
South Ballroom (Binghamton Regency Hotel and Conference Center)
322

The mass spectral fragmentation mechanisms of wood volatiles

Katie M. Krise, Edward A Motea, Timothy M Laher, and Michael L. Bucholtz. Gannon University, Erie, PA

Wood and other biomass combustion is an important source for heating and cooking for nearly half of the world's population. Inefficient stoves and open fires lead to indoor air pollution that has been identified as having important health consequences especially for children and women. This study investigates the basic chemistry of the component of wood known as the volatiles. These are low molecular weight terpenes and aromatics.

The mass spectral fragmentation of eleven wood volatiles has been studied. Mechanisms for the fragmentation have been proposed. The alcohols are aromatic or cyclohexyl derivatives found in wood and include menthol, coniferyl alcohol, alpha terpineol, cinnamyl alcohol, terpinen-4-ol and phenethyl alcohol. In addition, the fragmentation of 1,2 propanediol and 2,3 butanediol and the esters, cinnamyl acetate, menthyl acetate and diethyl fumarate were proposed. Common mass spectral fragments were found for several of the volatiles and possible structures were calculated using density functional methods.


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