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目的:研究雷公藤二萜内酯的质谱裂解规律。方法:采用电喷雾质谱(ESI-MS)和电子轰击质谱(EI)对雷公藤二萜内酯类化合物雷公藤甲素、雷公藤内酯酮以及雷酚内酯进行研究,对正离子扫描模式下雷公藤二萜内酯的主要特征碎片离子进行解析。结合文献报道的雷公藤二萜内酯质谱数据,总结归纳其ESI及EI质谱裂解规律。结果:电喷雾离子肼质谱[ESI-Trap-MS(+)]:[M+H]+准分子离子主要发生取代基断裂失去H2O、CH2CHCH3、CO以及CH2CO等中性分子,雷公藤甲素、雷公藤内酯酮和雷酚内酯形成m/z 197、183、169系列特征碎片离子。电喷雾飞行时间质谱[ESI-TOF-MS(+)]:[M+H]+准分子离子主要发生取代基断裂失去H2O、CO等中性分子以及发生环断裂失去中性碎片,形成m/z 277、185、93系列特征碎片离子。EI-MS:分子离子主要发生9(10)和5(6)位开环以及取代基断裂失去H2O、CO、CH4等中性分子和异丙基等自由基,形成m/z 149、105、91、71、55、43系列特征碎片离子。结论:首次报道了雷公藤二萜内酯的ESI及EI质谱裂解规律,根据质谱裂解特征碎片离子可对雷公藤二萜内酯进行快速、在线鉴别。
Objective: To study the mass spectrometry cleavage of diterpene lactone. Methods: The electrospray ionization mass spectrometry (ESI-MS) and electron impact mass spectrometry (EI) were used to study the triptolide triptolide triptolide, triptolide and triptolide. The main characteristic fragment ions of diterpene lactone were analyzed. Based on the data of diterpene lactone reported in the literature, the breakdown rules of ESI and EI mass spectra were summarized. Results: Electrospray ionization mass spectrometry (ESI-Trap-MS (+)]: [M + H] + mainly occurred in molecular ions such as H2O, CH2CHCH3, CO, CH2CO and other neutral molecules. Triptolide, Triptolide and thiolactone form m / z 197, 183, 169 series of characteristic fragment ions. Electrospray ionization time-of-flight mass spectrometry [ESI-TOF-MS (+)]: [M + H] + The main occurrence of the quasi-molecular ion is the rupture of the substituent. Loss of neutral molecules such as H2O and CO, z 277,185,93 series of characteristic fragment ions. EI-MS: molecular ions are mainly ring 9 (10) and 5 (6) ring opening and the loss of the substituents such as H2O, CO, CH4 and other neutral molecules and isopropyl free radicals, the formation of m / z 149,105, 91,71,55,43 series of characteristic fragment ions. Conclusion: The ESI and EI mass spectrometry cleavage patterns of diterpene lactones were firstly reported. According to mass spectrometry cleavage of characteristic fragment ions, diterpene lactones were identified rapidly and on-line.