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Peak width-mass correlation in CID MS/MS of isomeric oligosaccharides using traveling-wave ion mobility mass spectrometry

机译:使用行波离子迁移率质谱法分析低聚异构糖的CID MS / MS中的峰宽-质量相关性

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Isomeric oligosaccharides gamma-cyclodextrin (gamma-CD), glucosyl-beta CD (Glc(1)-beta CD) and maltosyl-alpha CD (Glc(2)-alpha CD) were analyzed by traveling-wave ion mobility (twIM) mass spectrometry (MS). Their formation of multicharged multimers differed from each other. The ion mobility-mass spectrometry was useful in the self-assembling and complex formation analyses of CID isomers. The drift times of the isomers and their product ions with the same mass were almost the same in collision-induced dissociation (CID) MS/MS. In contrast, the ion mobility peak widths were sensitive to structural differences of the isomeric product ions. The twIM peak width (ms - mu s) of the product ions [M - Glc(n) + H](+) (n = 0 similar to 6) of gamma-CD correlated linearly with their masses (Da); the large and/or long chain product ions had wider peak widths, which were much wider than those from the general diffusion effect. This was a novel and useful 'trend line' to discriminate between the three isomers. Plots of [M - Glc(2 similar to 6) + H](+) of Glc(1)-beta CD and [M - Glc(3 similar to 6) + H](+) of Glc(2)-alpha CD product ions' plots were on the same trend line as gamma-CD. The plots of [M - Glc(1) + H](+) of Glc(1)-beta CD and [M - Glc(1,2) + H](+) of Glc(2)-alpha CD strayed from the gamma-CD line; their peak widths were narrower than those of gamma-CD. These results indicated that product ions from the chemical species of Glc(1)-beta CD and Glc(2)-alpha CD retained their CD structure. Analyses of the IM peak widths enable us to elucidate the structures of the product ions.
机译:通过行波离子迁移率(twIM)质量分析了异美寡糖γ-环糊精(γ-CD),葡萄糖基-βCD(Glc(1)-βCD)和麦芽糖基-αCD(Glc(2)-αCD)。光谱(MS)。它们形成的多电荷多聚体彼此不同。离子淌度质谱用于CID异构体的自组装和复杂形成分析。在碰撞诱导离解(CID)MS / MS中,相同质量的异构体及其产物离子的漂移时间几乎相同。相反,离子迁移峰宽对异构产物离子的结构差异敏感。 γ-CD的乘积离子[M-Glc(n)+ H](+)(n = 0,类似于6)的twIM峰宽(ms-μs)与其质量(Da)线性相关;大和/或长链产物离子具有较宽的峰宽,该峰宽比一般扩散效应的峰宽宽。这是区分这三种异构体的新颖且有用的“趋势线”。 Glc(1)-beta CD的[M-Glc(2与6相似)+ H](+)和Glc(2)-alpha的[M-Glc(3与6相似)+ H](+)的图CD产物离子的图与γ-CD在相同的趋势线上。 Glc(1)-beta CD的[M-Glc(1)+ H](+)和Glc(2)-alpha CD的[M-Glc(1,2)+ H](+)的图γ-CD线;它们的峰宽比γ-CD的窄。这些结果表明,来自Glc(1)-βCD和Glc(2)-alpha CD的化学物种的产物离子保留其CD结构。 IM峰宽的分析使我们能够阐明产物离子的结构。

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