“…Due to the complexity of coal pyrolysis products, thousands of compounds could be observed by GC×GC-TOFMS. Chemometrics, including hierarchical cluster analysis (HCA) and principal component analysis (PCA), , have been employed to determine the relationship between different coals and other various conditions based on the coal properties, proximate and ultimate analyses, trace elements based on ash composition, kinetics of coal pyrolysis, CO, , benzene, cresols, and long-chain aliphatic compounds. − Li et al and Yu et al , identified the molecular composition of coal extraction products with FT-ICR MS and Orbitrap MS and obtained in-depth statistical results for seven classes (CH, O, N, S, ON, OS, and NS) by HCA and PCA. However, correlations among the molecular composition of coal pyrolysis products, coal characteristics, and reaction conditions of coal hydropyrolysis have seldom been examined.…”