Electron-Induced Dissociation of Singly Charged Organic Cations as a Tool for Structural Characterization of Pharmaceutical Type Molecules
Electron-Induced Dissociation of Singly Charged Organic Cations as a Tool for Structural Characterization of Pharmaceutical Type Molecules
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DOI：
10.1021/ac200045n
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发表时间：
2011-06-01
影响因子：
7.4
通讯作者：
Bristow, Anthony W. T.
中科院分区：
文献类型：
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作者：
Mosely, Jackie A.;Smith, Michael J. P.;Bristow, Anthony W. T.
碰撞诱导解离（CID）和电子诱导解离（Em）已被研究用于选择具有药用价值的小的、单电荷的有机分子。这些技术的比较表明，在FTICR MS上进行的EID和在线性离子阱MS上进行的CID产生互补的数据。在对33种分子阳离子的研究中，EID产生了超过300种产物离子，相比之下，CID产生了190种产物离子，两种串联MS技术共同的每个前体离子平均仅产生3种产物离子。即使CID的多个阶段也未能产生EID后观察到的许多产物离子。携带电荷的物种也被证明有一个非常显着的影响，从EID产生的碎片化程度和产品离子的类型。质子化物质的行为非常类似于铵加合物，其中来自电荷携带物质的氢原子强烈影响碎裂机制。钠和钾被[M + Na]（+）或[M + K]（+）形成的几乎每一种产物离子保留，并提供信息以补充[M + H]（+）或[M + NH 4]（+）的艾德。总之，EID被证明是一个合适的合作伙伴，CID在小的单电荷离子的结构说明，并通过研究EID的分子离子持有不同的电荷携带物种，甚至更深入的细节，可以获得通常用于合成化学中的官能团。
Collision-induced dissociation (CID) and electron-induced dissociation (Em) have been investigated for a selection of small, singly charged organic molecules of pharmaceutical interest. Comparison of these techniques has shown that EID carried out on an FTICR MS and CID performed on a linear ion trap MS produce complementary data. In a study of 33 molecule-cations, EID generated over 300 product ions compared to 190 product ions by CID with an average of only 3 product ions per precursor ion common to both tandem MS techniques. Even multiple stages of CID failed to generate many of the product ions observed following EID. The charge carrying species is also shown to have a very significant effect on the degree of fragmentation and types of product ion resulting from EID. Protonated species behave much like the ammonium adduct with suggestion of a hydrogen atom from the charge carrying species strongly affecting the fragmentation mechanism. Sodium and potassium are retained by nearly every product ion formed from [M + Na](+) or [M + K](+) and provide information to complement the ED of [M + H](+) or [M + NH4](+). In summary, EID is proven to be a fitting partner to CID in the structural elucidation of small singly charged ions and by studying EID of a molecule-ion holding different charge carrying species, an even greater depth of detail can be obtained for functional groups commonly used in synthetic chemistry.