Extracts of liquefaction residue from ShenmuFugu subbituminous coal (LRSFSBC) were obtained by sequential extraction with petroleum ether, methanol, and carbon disulfide. They were analyzed using a Fourier transform infrared (FTIR) spectrometer and a positive-ion (PI) electrospray ionization Fourier transform ion cyclotron resonance mass spectrometer (ESI FT-ICR MS). In total, 65.37% of LRSFSBC was extracted. Aromatic C=C, C=O, and C-O were identified in the extracts by FTIR analysis. Nitrogen, oxygen, and sulfur forms of LRSFSBC and the inextractable portion were characterized using X-ray photoelectron spectrometry. A series of basic N-1, N-2, N1O1, N1O2, N2S2, and N2O5S1 class species were identified in the extracts using ESI FT-ICR MS in PI mode. The ring plus double bond equivalents of the extracts ranges from 147, but is mainly below 23. In LRSFSBC some compounds are enwrapped into capsules, which are formed from different species associated with each other by hydrogen bonds, pi-pi interaction, and/or pi-hydrogen bonds. (C) 2014 Elsevier B.V. All rights reserved.