三氯蔗糖ESI正模式中加钠离子[M+Na]^(+)的特征碎片结构分析研究  

Analysis of Characteristic Fragment Structures of Sodium-adducted Sucralose inESI Positive Mode[M+Na]^(+)

作　　者：池少铃 陈子凡 林锦锋[3,4] 余少文 张俊华[5] Chi Shaolin;Chen Zifan;Lin Jinfeng;Yu Shaowen;Zhang Junhua(Heyuan Drug Inspection Institute,Heyuan 517000,China;Heyuan Food Inspection Institute,Heyuan 517000,China;Guangdong Drug Inspection Institute,Guangzhou 510663,China;Key Laboratory for Quality Control and Evaluation ofPharmaceutical Excipients of the National Drug Administration,Guangzhou 510663,China;Guangzhou Baiyunshan Guanghua Pharmaceutical Co.,Ltd.,Guangzhou 510000,China)

机构地区：[1]河源市药品检验所,广东河源517000 [2]河源市食品检验所,广东河源517000 [3]广东省药品检验所,广东广州510663 [4]国家药监局药用辅料质量控制与评价重点实验室,广东广州510663 [5]广州白云山光华制药股份有限公司,广东广州510000

出　　处：《广东化工》2024年第18期10-13,共4页Guangdong Chemical Industry

基　　金：广东省药品监督管理局科技创新项目(2023ZDZ04)。

摘　　要：分析三氯蔗糖在ESI正模式中[M+Na]^(+)的裂解过程,得出裂解路径和产物分子,为建立基于特征碎片结构快速筛查数据库提供参考。通过优化程序及调整流动相等参数,分析三氯蔗糖加钠的前体离子的谱图规律,结合分析特征产物离子的碰撞能量、强度,以及特征中性丢失,确定特征碎片,推测可能裂解路径,最后通过对自然界氯同位素丰度比的计算,验证了所提出的裂解途径和分子式的有效性。在Q1质谱图中主要生成[M+Na]+加钠离子,Q2质谱图中主要生成239 m/z、221 m/z两个产物离子及其他2个次主要离子,而且这两个离子相对丰度高、稳定性好,结合氯同位素在自然界的丰度比进行计算,验证了该推导裂解路径和分子式的存在合理性。结论为三氯蔗糖在ESI正模式下的应用提供了参考,为三氯蔗糖质谱碎裂模式的分析奠定了理论基础。To analyze the fragmentation processes of sucralose in the ESI positive mode[M+Na]^(+),and obtained the fragmentation pathway and the productmolecule,so as to provide a reference for establishing a rapid screening database based on characteristic fragment structure.By optimizing the program and adjustingthe mobile phase,the spectral patterns of the precursor ions of sucralose with sodium were analyzed,and the collision energy,intensity and neutral loss of thecharacteristic product ions was analyzed,the characteristic fragments were identified,and the potential fragmentation pathways were inferred.Finally,The validity ofthe proposed fragmentation pathways and molecular formulas were verified through calculations based on the abundance ratios of chlorine isotopes in nature.Themain ion in the Q1 mass spectrum was[M+Na]^(+)with the addition of sodium ions,In the Q2 mass spectrum,two major product ions,239 m/z and 221 m/z,as well astwo minor ions,was observed,It was two major ions exhibited high relative abundance and good stability.The rationality of the proposed fragmentation pathwaysand molecular formulas was confirmed by calculating the abundance ratios of chlorine isotopes in nature.Conclusion This study provides a reference for theapplication of sucralose in ESI positive mode and establishes a theoretical foundation for the analysis of sucralose mass spectral fragmentation patterns.

关 键 词：三氯蔗糖 正电离喷雾模式 加钠离子 裂解途径 

分 类 号：R917[医药卫生—药物分析学]