靶向抗肿瘤药物的ESI-MS/MS解析和代谢物鉴定

靶向抗肿瘤药物是新药研发的热点，也是我国近年来批准上市的新药中数目最多的一类药物。电喷雾质谱（ESI-MS）在当前新药研发中发挥着重要作用，质谱碎裂信息是建立药动学生物样品分析方法的基础，也是鉴定药物代谢产物结构的主要依据。本文总结了我国研发的靶向抗癌药物埃克替尼、阿帕替尼、吡咯替尼、氟马替尼、伏美替尼、法米替尼等及其主要代谢产物的电喷雾质谱碎裂途径，探讨质谱特征，并与其结构类似的药物进行比较。该综述对于如何选择合适的离子对进行定量分析，以及如何通过特征产物离子鉴定代谢产物具有参考意义。

ESI-MS/MS Interpretation and Metabolite Identification of Targeted Anti-tumor Drugs

Targeted anti-tumor drugs have been a hot spot in the research and development of new drugs, and are also the largest group of new drugs approved for marketing in China in recent years. Electrospray mass spectrometry (ESI-MS) plays a pivotal role in studies of pharmacokinetics and drug metabolism, which is an integral part of drug discovery and development nowadays. The review provided fragmentation schemes of targeted anticancer drugs including icotinib, apatinib, pyrotinib, flumatinib, furmonetinib, famitinib and their main metabolites, as well as their analogs, and discussed the general features observed in their fragmentation. The review expanded the knowledge on the fragmentation of protonated molecules under ESI-MS/MS conditions. The fragmentation of anti-tumor drugs could aid to choose product ions used in selected-reaction monitoring (SRM) bioanalysis and the m/z-shifts of fragmentation could assist with metabolite identification.