存在二酮哌嗪和噁唑酮结构的 HA b2+ 离子。
Evidence of diketopiperazine and oxazolone structures for HA b2+ ion.
机构信息
Department of Chemistry and Biochemistry, University of Arizona, Tucson, Arizona 85721, USA.
出版信息
J Am Chem Soc. 2009 Dec 9;131(48):17528-9. doi: 10.1021/ja9054542.
Abstract
Peptide fragmentation can lead to an oxazolone or diketopiperazine b(2)(+) ion structure. IRMPD spectroscopy combined with computational modeling and gas-phase H/D exchange was used to study the structure of the b(2)(+) ion from protonated HAAAA. The experimental spectrum of the b(2)(+) ion matches both the experimental spectrum for the protonated cyclic dipeptide HA (a commercial diketopiperazine) and the theoretical spectrum for a diketopiperazine protonated at the imidazole pi nitrogen. A characteristic band at 1875 cm(-1) and increased abundance of the peaks at 1619 and 1683 cm(-1) indicate a second population corresponding to an oxazolone species. H/D exchange also shows a mixture of two populations consistent with a mixture of b(2)(+) ion diketopiperazine and oxazolone structures.
摘要
肽段的断裂可能导致噁唑酮或二酮哌嗪 b(2)(+)离子结构。IRMPD 光谱结合计算建模和气相 H/D 交换，用于研究质子化 HAAAA 的 b(2)(+)离子的结构。b(2)(+)离子的实验谱与质子化环状二肽 HA（一种商业二酮哌嗪）的实验谱以及咪唑 pi 氮质子化的二酮哌嗪的理论谱相匹配。在 1875 cm(-1)处的特征带和在 1619 和 1683 cm(-1)处的峰的增加丰度表明对应于噁唑酮物质的第二种群。H/D 交换也显示出两种种群的混合物，与 b(2)(+)离子二酮哌嗪和噁唑酮结构的混合物一致。
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