Department of Chemistry, Swedish University of Agricultural Sciences, P.O. Box 7015, SE-750 07 Uppsala, Sweden.
J Mass Spectrom. 2011 Jul;46(7):658-65. doi: 10.1002/jms.1935.
Fifteen identified C-18 fatty acyl-containing saponin structures from Quillaja saponaria Molina have been investigated by electrospray ionization ion-trap multiple-stage mass spectrometry (ESI-IT-MS(n)) in positive ion mode. Their MS(1)-MS(3) spectra were analyzed and ions corresponding to useful fragments, important for the structural identification of Quillaja saponins, were recognized. A few key fragments could describe the structural variations in the C-3 and the C-28 oligosaccharides of the Quillaja saponins. A flowchart involving a stepwise procedure based on key fragments from the MS(1)-MS(3) spectra of these saponins, together with key fragments from these saponins and 13 previously investigated saponins, was constructed for the identification of structural elements in Quillaja saponins. Peak intensity ratios in MS(3) spectra were found to be correlated to structural features of the investigated saponins and is therefore of value for the identification of regioisomers.
采用电喷雾电离离子阱多级质谱（ESI-IT-MS(n)）在正离子模式下研究了 15 种从 Quillaja saponaria Molina 中分离得到的含 C-18 脂肪酸酰基的皂苷结构。分析了它们的 MS(1)-MS(3)谱，并识别出对 Quillaja 皂苷结构鉴定有用的相应离子。一些关键片段可以描述 Quillaja 皂苷中 C-3 和 C-28 寡糖的结构变化。基于这些皂苷的 MS(1)-MS(3)谱中的关键片段，以及这些皂苷和之前研究过的 13 种皂苷的关键片段，构建了一个流程图，用于鉴定 Quillaja 皂苷中的结构单元。发现 MS(3)谱中的峰强度比与所研究皂苷的结构特征相关，因此对鉴定区域异构体具有重要价值。
