| 王天山.利用电喷雾离子阱质谱研究seselinone
和rumphiin的裂解行为[J].海南师范大学学报自科版,2021,34(4):396-400 |
| 利用电喷雾离子阱质谱研究seselinone
和rumphiin的裂解行为 |
| Study on Fragmentation of Seselinone and Rumphiin by ElectrosprayIon Trap Mass Spectrometry |
| |
| DOI：10.12051/j.issn.1674-4942.2021.04.006 |
| 中文关键词: 木脂素 电喷雾离子阱质谱 裂解行为 |
| 英文关键词: lignans electrospray ion trap mass spectrometry fragmentation behaviors |
| 基金项目: |
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| 中文摘要: |
| 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。 |
| 英文摘要: |
| The mass spectrometric data of seselinone and rumphiin, two lignan compounds with similar chemical struc⁃
tures 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 H2 from tetrahydrofuran ring formed furan-like cations, and open⁃
ing of tetrahydrofuran ring from single bonds cleavages induced the main fragmentation patterns in seselinone. For rumphi⁃
in, 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 spectrome⁃
try 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. |
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