药物泰瑞沙的质谱分析及其未知杂质的结构解析

利用气相色谱-质谱法在电子电离源下对用于治疗肺癌的药物泰瑞沙(Tagrisso)进行分析,对主成分奥斯替尼(Osimertinib)在质谱中产生的主要的碎片离子进行归属,推测其可能的质谱裂解途径。参考主成分奥斯替尼的质谱裂解方式,由质谱裂解机理的角度出发对该药物中的4个未知的关键杂质的结构进行有效解析。此外,发现奥斯替尼及其个别杂质在质谱裂解过程中出现了显著的违背偶电子规则的碎片离子。通过对药物泰瑞沙的质谱分析期望能够提供一些分析、解析药物中未知杂质的思路和方法。

GC-MS analysis of tagrisso and its unknown impurity

The drug tagrisso,which was used to treat lung cancer,was analyzed by gas chromatography-mass spectrometry(GC/MS)under electron ionization(EI)source.The main fragment ions produced by the main component osimertinib in mass spectrometry were assigned and the possible fragmentation pathways were speculated.The structures of the four unknown impurities were speculated according to the fragmentation pathways of osimertinib.In addition,the significant fragment ions of osimertinib and some of its impurities appeared in the fragmentation process of mass spectrometry were found,which violated the even electron rule.Through the mass spectrometry analysis of tiressa,some ideas and methods for the analysis of unknown impurities in drugs were provided.