Identification of organonitrogen and organooxygen compounds in the extraction residue from Buliangou subbituminous coal by FTICRMS

Abstract Organonitrogen and organooxygen compounds (ONCs and OOCs) in the extraction residue (ER) from Buliangou subbituminous coal were characterized with an electrospray ionization Fourier transform ion cyclotron resonance mass spectrometer (ESI FTICRMS). Pyrrolic and hydroxy are the most abundant nitrogen and oxygen moieties on the ER surface according to analysis with an X-ray photoelectron spectrometer. The m / z values of ONCs and OOCs detected by FTICRMS mainly range in 200–450. The main basic ONCs detected are N 1 O x ( x  = 0–1) class species with double bond equivalent (DBE) values of 4–20 and carbon numbers (CNs) of 12–32. The core moieties in most of the basic N 1 O x ( x  = 0–1) class species are aromatic rings (ARs), including benzene, pyridine, quinoline, and acridine rings. O x ( x  = 1–4) class species are the main OOCs in the soluble portions from thermal dissolution of the ER. In acidic O 2 class, the most abundant species with DBE = 1, 2, 9, and 12 and CNs of 13–21 can be observed. The main acidic O 1 class species are alkylarenols with 1–6 ARs, while most of the acidic O 3 class species contain an AR, such as a naphthalene, dihydroanthracene, or anthracene ring, with at least a hydroxy or carboxy group.