【摘要】 中低温煤焦油中含氧有机化合物的含量较高,其中诸多含氧有机化合物是高附加值的有机化学品。本研究采用气相色谱/质谱联用仪（GC-MS）和负离子模式电喷雾傅里叶变换离子回旋共振质谱仪（NIESIFTICRMS）分析了陕北中低温煤焦油中的含氧有机化合物（OCOCs）,旨在了解OCOCs的组成结构,为有效分离OCOCs提供科学依据。结果表明,用GC-MS检测到的OCOCs中,含1个氧原子（O₁,主要为芳酚）和2个氧原子（O₂）的化合物的相对含量分别为99.4%和0.6%;用NIESIFTICRMS检测到的OCOCs中碳原子数、氧原子数和芳环数范围分别为8～35、1～5和1～4,其中O₁和O₂占绝大多数;检测到的主要酸性OCOCs是苯酚、苯二酚和苯甲酸及其烷基取代物以及环烷和链烷酸,其中O₁的主要成分是1～4环的一元芳酚。GCMS与NIESIFTICRMS优势互补,是从分子水平上了解中低温煤焦油中OCOCs组成结构的有效工具。更多还原

【Abstract】 The total content of oxygen-containing organic compounds（ OCOCs） in middle/low temperature coal tar（ M/LTCT） are relatively high. Many OCOCs in M/LTCT are value-added organic compounds. In this investigation,a gas chromatograph-mass spectrometer（ GC-MS） and negative-ion electrospray ionization Fourier transform ion cyclotron resonance mass spectrometer（ NIESIFTICRMS） were used to analyze OCOCs in a M/LTCT from Northern Shaanxi,aiming at understanding the composition and structures of the OCOCs to provide scientific basis for efficiently separating the OCOCs. The results showed that one oxygen-containing species（ O₁,most of which are arenols） and two oxygen-containing species（ O₂） in the GC-MS-detectable OCOCs accounted for 99.4% and 0.6%,respectively; numbers of carbon,oxygen and aromatic rings in the OCOCs detected with the NIESIFTICRMS were 8-35,1-5 and 1-4,respectively,and O₁ and O₂ were predominantly abundant among the OCOCs; the main acidic OCOCs were phenol,benzenediols,benzoic acid and their alkyl-substitutes along with cyclanoic and chain alkanoic acids,and the main species were arenols with 1-4 aromatic rings among O₁. GC-MS and NIESIFTICRMS have complementary advantages,and are proved to be effective tools for understanding the composition and structures of OCOCs in M/LTCT at molecular level.更多还原