2—羟基—4—邻苯二甲酰亚胺基丁酸的氢迁移反应

在甲烷为反应气的化学电离质谱条件下，质子化的２－羟基－４－邻苯二甲酰亚胺基丁酸的单分子质谱碎裂产生了ｍ／ｚ１４８的碎片离子，表明其碎裂过程发生了氢迁移反应，ＡＭ在分子轨道的理论计算结果为可能的质子化位置提供了理论依据；建立在氘代同位素标记和碰撞诱导解离实验的基础上，我们提出此离子的形成可能同时存在单氢迁移和双氢迁移，一些质谱图中的物征碎片中离子为可能的ＭｃＬａｆｆｅｒｔｙ重排和离子／中性（碎片）复

Hydrogen Transfer Reactions in Mass Spectrometry of 2-Hydroxyl -4-phthalimidobutanoic Acid

In the chemical ionization mass spectrometry of 2-hydroxyl-4-phthalimidobutanoic acid, the formation of the ion of m/z 148 from the unimolecular fragmentation of protonated 2-hydroxyl-4-phthalimidobutanoic acid shows that a hydrogen transfer may have occurred. The theoretical calculations of AM1 method provide two possible sites of protonation. Based on the results of deuterium isotope labelling and collision-induced dissociation, two possible fragmentation processes for the formation of the ion of m/z 148 including single-hydrogen transfer and double-hydrogen transfer have been proposed. Some specific fragment ions in these mass spectra give significant related information to support the proposed mechanisms of both McLafferty rearrangement and an intermediate ion/neutral complex reaction.