Fragmentation patterns of novel dispirocyclopiperazinium dibromides with strong analgesic activity under electrospray ionization tandem mass spectrometry conditions
Fragmentation patterns of novel dispirocyclopiperazinium dibromides with strong analgesic activity under electrospray ionization tandem mass spectrometry conditions
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具有强镇痛活性的新型二螺环哌嗪二溴化物在电喷雾电离串联质谱条件下的裂解模式
DOI：
10.1002/rcm.1407
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发表时间：
2004-04
期刊：
影响因子：
--
通讯作者：
Runtao Li
中科院分区：
文献类型：
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作者：
Xin Wang;Yaowu Sha;Runtao Li
采用正离子电喷雾串联质谱（ESI-MSn）对一系列具有强镇痛活性的双螺环哌嗪鎓二溴化物的裂解模式进行了分析。代替母体分子离子，碎片离子[MBr]+被检测为特征双峰，并且通常为基峰。同时，碎片离子[M2 Br]2+是该系列二溴化双季铵盐所特有的，并表现出很高的强度。除了羰基周围的常见断裂模式外，[MBr]+离子中溴化氢的消除是另一个重要途径。消除后，一个有趣的重排发生在不饱和螺环哌嗪，并将其转化为二氢吡咯结构，其碎片类似于其前体离子在后续步骤。版权所有© 2004约翰威利父子有限公司
The fragmentation patterns of a series of dispirocyclopiperazinium dibromides with strong analgesic activity are analyzed by positive ion electrospray ionization mass spectrometry in conjunction with tandem mass spectrometry (ESI-MSn). Instead of the parent molecular ions, the fragment ions [MBr]+ are detected as characteristic double peaks and usually the base peaks. Meanwhile, the fragment ions [M2Br]2+ are unique for this series of diquaternary ammonium dibromides and show high intensity. Besides the common fragmentation patterns around the carbonyl group, elimination of hydrogen bromide from [MBr]+ ions is another important pathway. Following the elimination, an interesting rearrangement takes place in the unsaturated spirocyclopiperazine and transforms it into a dihydropyrrole structure, whose fragmentations are similar to its precursor ion in the succeeding steps. Copyright © 2004 John Wiley & Sons, Ltd.