水飞蓟宾的负离子电喷雾离子阱质谱研究

Study on Silybin in Negative Mode by Ion Trap Mass Spectrometry

采用电喷雾离子阱(ESI-MS)质谱技术对水飞蓟宾的结构和裂解途径进行研究。采用ESI-MS获得了m/z481[M-H]-,采用ESI-MS2获得了m/z453、m/z301等碎片离子。发现ESI-MS2质谱生成A环和B环C—O—C键断裂的碎片,并对m/z453、m/z301特征碎片离子进行ESI-MS3质谱研究,归属了其主要特征碎片离子,分析和讨论了该化合物的结构和质谱特征。

The structure and fragmentation pathway of silybin were elucidated by electron spray ionization mass spectrometry （ESI-MS）. Quasi-molecular ion peak m/z 481 [M-H]^- was detected by ESI-MS, and the ions of m/z 453 and rn/z 301 were detected by ESI-MS2. The fragment routes of characteristic were discussed on the basis of ESI mass spectra. The full scan MS2 spectra of silybin gave characteristic fragment ions formed through cleavage of the C--O--C bond at A-ring and B-ring. The full scan MS3 spectra of fragment m/z 453, m/z 301 was obtained by ion trap mass spectrometry. The characteristic fragmentation was used to prove the structure of m/z 453, m/z 301.