使用ESI-MS/MS和离子流动性谱法进行1,2-不和 (1-4) 链接的二糖化衍生物及其2C功能化类型的结构特征和异构体差异化
Ines Starke1, Sylvia Fürstenberg1, Steffen Thomas1
1Institute of Chemistry, University of Potsdam, Potsdam, Germany.
Rapid communications in mass spectrometry : RCM
|September 12, 2024
概括
电子喷射电离联质谱和离子流动性谱学有效地区分不和脱糖化物衍生物的立体异构体. 在优化的条件下,可以实现添加物的完全分离,有助于合成生物活性化合物.
科学领域:
- 分析化学 分析化学
- 有机化学 有机化学
- 生物化学 生物化学
背景情况:
- 1,2-不和脱糖酸衍生物是生物活性分子的关键构建块.
- 在这些混合物中区分立体同位素在分析上具有挑战性.
- 电子喷射电离双重质谱 (ESI-MS/MS) 和离子移动性谱 (IMS) 被探索用于异构体分析.
研究的目的:
- 使用ESI-MS/MS和IMS来区分不和脱糖化物衍生物的立体异构体.
- 为了分析单个化合物和混合的二糖衍生物作为金属添加物.
- 为了评估碰撞横截面 (CCS) 值对异构体识别的有用性.
主要方法:
- 使用ESI-MS/MS在阳性模式下与添加物用于分析乙/-D-乳酸盐和酸盐.
- 采用被困离子移动性光谱仪 (TIMS) 与imeXTM功能用于同位素分离.
- 使用SigmaCCS.测量和比较实验CCS值与预测的CCS值.
主要成果:
- [M+Li]+离子的ESI-MS/MS碎片化模式提供了对糖键裂解和 (1-4) 连接分糖的分化方面的见解.
- TIMS启用可调节分辨率,用于分离立体异构化合物.
- 对添加物的准确CCS预测仅部分成功,而添加物显示完全分离.
结论:
- [M+Li]+ adducts的ESI CID光谱成功地区分了α和β (1-4) 连接的不和二糖和它们的分支类型.
- 优化的TIMS条件实现了 adducts的立体同位素对的基线分离.
- 这种分析方法有助于描述复杂的碳水化合物结构.
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