利用不同质谱技术分析鉴定金刚烷类化合物

Analysis and identification of diamondoids by different mass spectrometry techniques

黄凌 翁娜 魏彩云 苏劲 张斌 张文龙 胡国艺

HUANG Ling WENG Na WEI Caiyun SU Jin ZHANG Bin ZHANG Wenlong HU Guoyi

中国石油学会 学术交流部, 北京 100724 中国石油天然气集团公司 油气地球化学重点实验室, 北京 100083

Academic Exchange Department, Chinese Petroleum Society, Beijing 100724, China Key Laboratory of Petroleum Geochemistry, CNPC, Beijing 100083, China

金刚烷类化合物因在油气勘探领域具有重要的应用价值受到研究人员的广泛关注。由于具有复杂的分子结构和数量众多的同分异构体，目前对于某些金刚烷类化合物的定性结果还存在争议。通过气相色谱—质谱联用法、气相色谱—三重四极杆质谱联用法和全二维气相色谱—飞行时间质谱联用法，开展了烷基取代单金刚烷衍生物的定性研究，对3-甲基-1-乙基单金刚烷和3，5，7-三甲基-1-乙基单金刚烷在不同类型质谱色谱图中的出峰位置进行了确认。此外，利用MASS FRONTIER软件推断了3，5，7-三甲基-1-乙基单金刚烷在电子轰击离子源作用下的碎裂机理以及产生的特征离子。

Diamondoids have attracted extensive attention from researchers because of their important application value in oil and gas exploration. Since diamondoids have complex molecular structures and a large number of isomers, the identification of certain diamondoids is still controversial. In this paper, a qualitative study of adamantane derivatives, such as 1-ethyl-3-methyladamantane and 1-ethyl-3,5,7-trimethyladamantane, was carried out using gas chromatography-mass spectrometry, gas chromatography-triple quadrupole mass spectrometry and two dimensional gas chromatography-time-of-flight mass spectrometry. The chromatography peak position of these compounds in different mass spectrograms was confirmed. In addition, with the help of MASS FRONTIER software, the fragmentation mechanism and the characteristic ions formed during electron ionization was interpreted for 1-ethyl-3,5,7-trimethyladamantane in the ion source.

国家自然科学基金项目 41473020;国家自然科学基金项目 40903026;中国石油天然气股份有限公司重点项目 2016A-0205

https://doi.org/10.11781/sysydz2020061024