Understanding chemical structure of primary coal tar is substantially important to promote advanced application and utilization of coal where chemical reaction plays a key role. Mass spectrometry allows us to characterize complex mixture like coal tar pitch, coal extractions, and heavy oil. In the present study, two kinds of primary coal tar A and B were prepared from different types of coal A (bituminous coal) and B (subbituminous coal). The main components such as Hexane Soluble (HS) and Hexane Insoluble-Toluene Soluble (HI-TS) fractions obtained by extraction of each tar were measured by Field Desorption Mass Spectrometry (FD-MS) to determine their constituent chemical structures. The ¹H NMR spectra of HS and HI-TS were measured to confirm the reliability of proportion of hydrogen types that have been determined by FD-MS. As a result, both of the proportions in HS fractions were found to be almost consistent, while those in HI-TS fractions show a difference because of their more complex chemical components than HS fractions. Based on the combined analysis of FD-MS and NMR, we concluded that the HS in primary coal tar A mainly consists of polycyclic aromatic hydrocarbons (PAHs) and aliphatic structures including aromatic carbons, while the HS in primary coal tar B mainly consists of aliphatic structures. These results suggest that determining chemical structures and their ratios only from FD-MS spectra is useful to concretely clarify difference between some types of primary coal tar.

在化学反应起关键作用的情况下，了解初级煤焦油的化学结构对于促进煤炭的先进应用和利用至关重要。质谱分析使我们能够表征复杂的混合物，例如煤焦油沥青，煤提取物和重油。在本研究中，从不同类型的煤A（烟煤）和B（亚烟煤）制备了两种初级煤焦油A和B。通过场解吸质谱法（FD-MS）测量通过提取每个焦油得到的主要成分，例如己烷可溶物（HS）和己烷不溶性甲苯可溶物（HI-TS）馏分，以确定其组成化学结构。在¹测量HS和HI-TS的1 H NMR光谱，以确认通过FD-MS确定的氢类型比例的可靠性。结果发现，HS馏分中的两个比例几乎是一致的，而HI-TS馏分中的比例却有所不同，因为它们的化学成分比HS馏分更为复杂。基于FD-MS和NMR的综合分析，我们得出结论，初级煤焦油A中的HS主要由多环芳烃（PAHs）和包括芳族碳的脂族结构组成，而初级煤焦油B中的HS主要由脂肪族组成。结构。这些结果表明，仅通过FD-MS光谱确定化学结构及其比率有助于具体弄清某些类型的一次煤焦油之间的差异。