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目的:采用LTQ-Orbitrap高分辨质谱仪,对白芷中5种呋喃香豆素类成分进行多级裂解研究,探讨此类化合物的裂解规律。方法:采用直接进样法,在正离子模式下对补骨脂素、花椒毒素、佛手柑内酯、氧化前胡素和白当归脑进行碰撞诱导解离反应(CID),碰撞能为35 eV,根据碎片离子的精确相对分子质量,利用Xcalibar V2.0软件进行数据分析,对碎片离子进行推导。结果:通过对5种呋喃香豆素类成分的质谱数据分析及推导,可知呋喃香豆素类化合物有相似的裂解方式,如在C-5,C-8位易发生取代基断裂,在呋喃环位置丢失CO,以及内酯基团丢失CO_2中性分子。结论:通过该研究中对呋喃香豆素类化合物裂解方式和途径探讨,为该类化合物及其代谢产物的结构鉴定提供依据。
OBJECTIVE: To investigate the cleavage of five furanocoumarins in Angelica dahurica by LTQ-Orbitrap high resolution mass spectrometry. METHODS: Collision-induced dissociation reaction (CID) was performed on psoralen, xanthotoxin, bergamantan, prostaglandin and angelica in positive ion mode by direct injection. The collision energy was 35 eV According to the exact relative molecular mass of fragment ions, the data were analyzed by Xcalibar V2.0 software to derive fragment ions. Results: Based on the mass spectrometry data of five kinds of furanocoumarins, the furanocoumarins were found to have similar cleavage patterns. For example, the cleavage of the substituents occurred easily at C-5 and C-8, CO is lost at the ring position, and CO2 neutrals are lost at the lactone group. Conclusion: The method and route of furanocoumarins cleavage in this study provide basis for the structural identification of these compounds and their metabolites.