摘要
在正离子模式下,利用电喷雾离子阱质谱检测seselinone和rumphiin这两种化学结构比较相似的木脂素类化合物的质谱数据,分析了它们的裂解行为以及化学结构与裂解行为之间的关系。研究结果表明,seselinone存在两种主要的裂解方式,即四氢呋喃环上的取代基断裂和脱氢裂解后生成呋喃型正离子,以及四氢呋喃环上单键断裂引起环开裂;rumphiin主要是在烷基骨架上发生麦氏重排裂解以及烷基裂解。经对比分析发现,这两种化合物均出现多取代苯甲酰基正离子m/z 195,或者得到与此碎片单元相关的离子[M-195]^(+)。根据这些质谱数据以及它们的裂解行为,可以判断此类化合物的苯环上取代基的类型和数量,也为采用串联质谱法快速鉴定此类化合物奠定了基础。
The mass spectrometric data of seselinone and rumphiin,two lignan compounds with similar chemical structures was recorded by electrospray ion trap mass spectrometry in positive ion mode.The fragmentation behaviors of the two compounds and the relationship between the chemical structure and the fragmentation behavior were analyzed.It was showed that cleavages of side chains and neutral loss of H;from tetrahydrofuran ring formed furan-like cations,and opening of tetrahydrofuran ring from single bonds cleavages induced the main fragmentation patterns in seselinone.For rumphiin,the cleavage of the alkyl and Mclafferty rearrangement were the main fragmentation patterns.Furthermore,both of these compounds showed a diagnostic fragment ion of m/z 195 or its related ion of[M-195]^(+).According to these mass spectrometry data and their fragmentation behavior,the types and quantities of substituents in benzene rings of these compounds can be determined,which also lays a foundation for rapid identification of these compounds by tandem mass spectrometry.
作者
王天山
WANG Tianshan(Key Laboratory of Tropical Medicinal Resource Chemistry of Ministry of Education,College of Chemistry and Chemical Engineering,Hainan Normal University,Haikou 571158,China)
出处
《海南师范大学学报（自然科学版）》
CAS
2021年第4期396-400,共5页
Journal of Hainan Normal University（Natural Science）
关键词
木脂素
电喷雾离子阱质谱
裂解行为
lignans
electrospray ion trap mass spectrometry
fragmentation behaviors
