陕北中低温煤焦油中含氧有机化合物的质谱分析  

Mass Spectrometric Analysis of Oxygen-containing Organic Compounds in A Middle/Low-temperature Coal Tar from Northern Shaanxi

作　　者：郭宪厚 魏贤勇[1,2] 柳方景 宗志敏[1] 樊星[1] 郁章玉[3] GUO Xian-Hou;WEI Xian-Yong;LIU Fang-Jing;ZONG Zhi-Min;FAN Xing;YU Zhang-Yu(Key Laboratory of Coal Processing and Efficient Utilization,Ministry of Education, China University of Mining and Technology,Xuzhou 221116,China;State Key Laboratory of High-efficiency Coal Utilization and Green Chemical Engineering, Ningxia University,Yinchuan 750000,China;School of Chemistry and Chemical Engineering,Qufu Normal University,Qufu 273165,China)

机构地区：[1]中国矿业大学煤炭加工与高效洁净利用教育部重点实验室,徐州221116 [2]宁夏大学省部共建煤炭高效利用与绿色化工国家重点实验室,银川750000 [3]曲阜师范大学化学与化工学院,曲阜273165

出　　处：《分析化学》2018年第11期1755-1762,共8页Chinese Journal of Analytical Chemistry

基　　金：国家自然科学基金项目(No.21576280);江苏省研究生科研创新基金项目(No.KYLX16-0548)资助~~

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(O_1,主要为芳酚)和2个氧原子(O_2)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O_1和O_2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O_1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。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(O 1,most of which are arenols)and two oxygen-containing species(O 2)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 O 1 and O 2 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 O 1.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.

关 键 词：中低温煤焦油 含氧有机化合物 质谱分析 

分 类 号：O657.63[理学—分析化学] TQ523.6[理学—化学]