Molecular characterization of a middle/low-temperature coal tar by multiple mass spectrometries

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 (GCxGC/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.

Automated summary

A middle/low-temperature coal tar from Northern Shaanxi Province was extracted and analyzed by three mass spectrometers, revealing the presence of aliphatics, arenes, oxygen-containing organic compounds and nitrogen-containing organic compounds as the main group components. Further analysis using two-dimensional gas chromatography/time-of-flight mass spectrometry detected nearly 1000 different compounds, including aliphatics, arenes, OCOCs (mainly O-1 and O-2), NCOCs, and SCOCs. Additionally, ESI Orbitrap-mass spectrometry showed the relative abundances of NCOCs, OCOCs, and SCOCs in positive ion mode, as well as OCOCs and NCOCs in negative ion mode, providing insights into the condensation degree of aromatics and existing forms of heteroatoms.