Molecular characterization of a middle/low-temperature coal tar by multiple mass spectrometries. (15th December 2021) - Guo, Xian-Hou
Highlights: Molecular characterization of a M/LTCT using three mass spectrometers. A large number of aromatic hydrocarbons have been detected by the GC×GC/TOF-MS. The condensation aromatic compounds were analysed with ESI Orbitrap-MS. Abstract: A middle/low-temperature coal tar from Northern Shaanxi Province (M/LTCTNSP ) was extracted with petroleum ether, and the resulting extract was analyzed by three mass spectrometers. The main group components detected by gas chromatograph/mass spectrometer (GC/MS) are aliphatics, arenes, oxygen-containing organic compounds (OCOCs), and nitrogen-containing organic compounds (NCOCs). In total, nearly 1000 aliphatics, arenes, OCOCs (mainly O 1 and O 2 ), NCOCs and sulfur-containing organnic compouds (SCOCs) were detected by the two-dimensional gas chromatography/time-of-flight mass spectrometer (GC×GC/TOF-MS). The relative abundances (RAs) of NCOCs, OCOCs, and SCOCs detected by ESI Orbitrap-mass spectrometry in the positive ion mode are 80.8%, 16.1%, and 3.1%, While in the negative ion mode, the RAs of OCOCs and NCOCs are 85.6%, and 14.4%, respectively. The condensation degree of aromatics and existing forms of heteroatoms were also examined.