Analysis of oxygen-containing species in coal tar by comprehensive two-dimensional GC×GC-TOF and ESI FT-ICR mass spectrometry through a new subfraction separation method

High oxygen content and ultracomplex composition are the biggest property characteristics of coal tar, which is also reason for difficulty tar separation processing. The distribution oxygen-containing compounds (OCs) asphaltene island/archipelago structure play a key role in solubility hydrogenation thermal conversion tar. In this study, OCs medium low temperature (MLCT) its subfractions were innovatively studied molecular level by GC × GC-TOF MS negative ion ESI FT-ICR coupled with collision-induced dissociation (CID) through isolating narrow mass-defined window based on improved MLCT subfraction method. It revealed that predominant phenols relatively few naphthols, furans, ketones. hugely dominated O x species aromatics, resins, asphaltenes. polyoxygenated primarily exist heavier components like atoms prefer to be linked outsides aromatic ring form hydroxyl or carboxyl compounds, embedded rings as furan cyclic ethers multiple compounds. Some high H/C contain smaller cores more alkyl sidechains, “atypical” molecules heteroatoms DBE Besides, island-type structures dominant MLCT. N n have greater island attributes, especially atoms. asphaltenes archipelago than aromatics resins. not easy destroyed under optimized voltage although bridge bond breaking reaction occurs during CID. heterolysis mode absolutely major cleavages path mechanism influences much generation less-heteroatomic fragments, homolytic cleavage important poly-heteroatomic fragments. • an structural motifs obtained qualitative behaviors CID analyzed.