迷迭香酸及咖啡酸的ESI四级杆飞行时间高分辨质谱裂解规律研究  

Study on the Fragmentation Patterns of Rosmarinic Acid and Caffeic Acid by ESI Quadrupole Time-of-flight Mass Spectrometry

作　　者：刘静[1,2,3] 霍志鹏 田介峰 何毅 于治国 Liu Jing;Huo Zhipeng;Tian Jiefeng;He Yi;Yu Zhiguo(Shenyang Pharmaceutical University,Shenyang,Liaoning 110016,China;Development Center of Modern Chinese Medicine,Research Institute of Tasly Pharmaceutical Group Co.,Ltd.,Tianjin 300410,China;State Key Laboratory of Critical Technology in Innovative Chinese Medicine,Tasly Pharmaceutical Group Co.,Ltd.,Tianjin 300410,China)

机构地区：[1]沈阳药科大学,辽宁沈阳110016 [2]天士力医药集团股份有限公司研究院现代中药开发中心,天津300410 [3]天士力医药集团股份有限公司创新中药关键技术国家重点实验室,天津300410

出　　处：《化工与医药工程》2023年第3期29-34,共6页Chemical and Pharmaceutical Engineering

摘　　要：为了研究咖啡酸和迷迭香酸的质谱裂解规律,使用电喷雾-四级杆-飞行时间质谱(ESI-Q-TOF/MS)对咖啡酸和迷迭香酸对照品进行了0~40 eV碰撞能下的二级质谱分析,观察碎片离子丰度变化,以总结二者裂解行为。实验发现咖啡酸在质谱裂解中极易脱羧基形成m/z 135.04碎片离子,高碰撞能下继续裂解脱去水分子或氢自由基;迷迭香酸酯键两端均可断裂,分别形成m/z 197.04、m/z 179.03碎片离子,高碰撞能下这两种碎片离子可进一步裂解生成m/z 123.02和m/z 135.04碎片离子。实验提供了一种使用ESI-Q-TOF/MS研究化合物质谱裂解规律的方法。In order to investigate the cracking behavior of caffeic acid and rorosemary acid,the secondary mass spectrometry of caffeic acid and rorosemary acid was performed by ESI-Q-TOF/MS at the impact energy of 0 to 40 eV,and the ion abundance of fragments was observed to sum up their cracking behavior.It is found that caffeic acid is easy to decarboxylate to form m/z 135.04 fragment ions during mass spectrum cracking.The fragment ions continue to crack and release water molecules or hydrogen radicals at high impact energy.Both ends of the rorosemary bond can be broken to form m/z 197.04 and m/z 179.03 fragment ions,which can be further decomposed into m/z 123.02 and m/z 135.04 fragment ions at high impact energy.This study provides a method to study the pyrolysis law of compounds by mass spectrometry.

关 键 词：咖啡酸 迷迭香酸 Q-TOF-MS 裂解规律 

分 类 号：O657.63[理学—分析化学]