Vacuum Ultraviolet Photoionization and Dissociative Photoionization of Capecitabine, 5＇-Deoxy-5-fluorocytidine, and 5＇-Deoxy-5-fluorouridine  

卡培他滨、5＇-脱氧-5-氟胞苷和5＇-脱氧-5-氟尿苷的真空紫外光电离、光解离

作　　者：王健[1] 汤文建[2] 叶丽丽[1] 张李东[1] 潘洋[1] 

机构地区：[1]中国科学技术大学国家同步辐射实验室,合肥230029 [2]安徽医科大学药学院,合肥230032

出　　处：《Chinese Journal of Chemical Physics》2013年第1期20-26,I0003,共8页化学物理学报（英文）

摘　　要：Vacuum ultraviolet （VUV） photoionization and dissociative photoionization of capecitabine and its metabolites, 51-deoxy-5-fiuorocytidine （5＇-DFCR） and 51-deoxy-5- fiuorouridine （5＇- DFUR）, were investigated with infrared laser desorption/tunable synchrotron VUV photoionization mass spectrometry. Molecular ions （M＋） with small amounts of fragments can be found for these compounds at relatively low photon energies, while more fragment ions would be produced by increasing the photon energies. （M-H2O）＋, （base＋H）＋, （base＋2H）＋, （base＋30）＋, （base＋60）＋, and sugar moiety were proposed for these nucleoside drugs with similar backbones. Decomposition channels for the major fragments were discussed in detail. Moreover, ab initio calculations were introduced to study the dehydration pathways of three fluoro-nucleosides. Corresponding appearance energies for the （M-H2O）＋ ions were computed.

关 键 词：CAPECITABINE 5＇-Deoxy-5-fluorocytidine 5t-Deoxy-5-fluorouridine Photoion-ization Mass spectrometry Synchrotron radiation 

分 类 号：O[理学]