Identification of heteroaromatic compounds in coal liquefaction and gasification products by deuterated reagent chemical ionization mass spectrometry

Abstract

Deuterated reagent chemical ionization (CI) mass spectrometry was used to identify isomeric oxygen-, nitrogen- and sulphur-containing species in a phenolic fraction from the liquefaction of lignite, a base fraction from the gasification of lignite and the headspace of the liquefaction of pine sawdust. The exchange of active hydrogens (OH, NHR and SH) for deuterium from the CI reagent aids in the identification of isomeric species. Standard CH 3OD CI spectra for 76 oxygen-, nitrogen- and sulphur-containing compounds are presented. The complementary use of both CH 3OD CI and EI mass spectra enables one to assign the compound class of many heteroatom-containing aromatics.