气相色谱-红外光谱辅助气相色谱-质谱鉴定烷基膦酸酯类化合物同分异构体  

Gas Chromatography-Infrared Spectroscopy Assisted Gas Chromatography-Mass Spectrometry for Identification of Alkyl Phosphonate Isomers

作　　者：赵美琪 刘玉龙 刘勤 尤巍 吴剑锋 吴海霞[2] 陈佳 谢剑炜 ZHAO Mei-Qi;LIU Yu-Long;LIU Qin;YOU Wei;WU Jian-Feng;WU Hai-Xia;CHEN Jia;XIE Jian-Wei(Laboratory of Toxicant Analysis,Academy of Military Sciences,Beijing 100850,China;School of Chemical and Pharmaceutical Engineering,Hebei University of Science and Technology,Shijiazhuang 050091,China)

机构地区：[1]军事医学研究院毒物分析实验室,北京100850 [2]河北科技大学化学与制药工程学院,石家庄050091

出　　处：《分析化学》2025年第2期269-277,共9页Chinese Journal of Analytical Chemistry

基　　金：国家重点研发计划项目(No.2018YFC1602600)资助。

摘　　要：有机膦神经性毒剂是最具威胁的化学战剂和恐怖剂。化学武器核查关注的神经性毒剂及其相关物逾千万种,其中同分异构体占大多数,对其结构进行准确鉴定一直是化武核查分析的难点问题之一。本研究采用气相色谱-红外光谱联用技术辅助气相色谱-质谱联用技术,对设计合成的5组共计17种烷基膦酸酯类同分异构体和结构类似物的谱图进行了差异比较和系统分析。结果表明,对于质谱图相似的同分异构体或结构类似物,红外光谱可提供更多的化合物结构“指纹”信息,在确证结构构型方面具有优势。结合气相色谱优良的分离能力,气相色谱-红外光谱联用技术可辅助气相色谱-质谱联用技术用于烷基膦酸酯类化合物结构的确证,实现对同分异构体或结构类似物的快速鉴别和准确鉴定。Organophosphorus nerve agents are the most threatening chemical warfare agents and terrorist agents.The number of nerve agents and their related chemicals involved in the verification of Chemical Weapon Convention(CWC)exceeds ten million,with the majority being isomers.Accurate structural identification of these chemicals has always been one of the challenges in CWC related verification analysis.In this work,a total of 17 kinds of alkyl phosphonate isomers and structural analogs from 5 groups were designed and synthesized,and then analyzed by gas chromatography-mass spectrometry(GC-MS)and gas chromatography-infrared spectroscopy(GC-FTIR).The spectra of isomers or structural analogs obtained from two techniques as well as the structural information provided therein were compared and analyzed.The results showed that for isomers or structural analogs with similar MS spectra,FTIR spectra could provided more structural fingerprint information of compounds and had advantages in confirming structures.Combined with the excellent separation ability of GC,GC-FTIR can be used to assist GC-MS in the structural confirmation of alkyl phosphates,achieving rapid and accurate identification of isomers or structural analogues.

关 键 词：烷基膦酸酯 同分异构体 气相色谱-红外光谱联用 气相色谱-质谱联用 神经性毒剂 结构鉴定 

分 类 号：O62[理学—有机化学]