Jian Wang, Wen-jian Tang, Li-li Ye, Li-dong Zhang, Yang Pan. Vacuum Ultraviolet Photoionization and Dissociative Photoionization of Capecitabine, 50-Deoxy-5-'uorocytidine, and 50-Deoxy-5-'uorouridine[J]. Chinese Journal of Chemical Physics , 2013, 26(1): 20-26. doi: 10.1063/1674-0068/26/01/20-26
Citation: Jian Wang, Wen-jian Tang, Li-li Ye, Li-dong Zhang, Yang Pan. Vacuum Ultraviolet Photoionization and Dissociative Photoionization of Capecitabine, 50-Deoxy-5-'uorocytidine, and 50-Deoxy-5-'uorouridine[J]. Chinese Journal of Chemical Physics , 2013, 26(1): 20-26. doi: 10.1063/1674-0068/26/01/20-26

Vacuum Ultraviolet Photoionization and Dissociative Photoionization of Capecitabine, 50-Deoxy-5-'uorocytidine, and 50-Deoxy-5-'uorouridine

doi: 10.1063/1674-0068/26/01/20-26
Funds:  This work is supported by the National Natural Sci-ence Foundation of China (No.10979043, No.11175185, and No.20802003).
  • Received Date: 2012-10-19
  • Vacuum ultraviolet (VUV) photoionization and dissociative photoionization of capecitabine and its metabolites, 5'-deoxy-5-fluorocytidine (5'-DFCR) and 50-deoxy-5- fluorouridine (5'-DFUR), were investigated with infrared laser desorption/tunable synchrotron VUV pho-toionization 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 de-tail. 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.
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Vacuum Ultraviolet Photoionization and Dissociative Photoionization of Capecitabine, 50-Deoxy-5-'uorocytidine, and 50-Deoxy-5-'uorouridine

doi: 10.1063/1674-0068/26/01/20-26
Funds:  This work is supported by the National Natural Sci-ence Foundation of China (No.10979043, No.11175185, and No.20802003).

Abstract: Vacuum ultraviolet (VUV) photoionization and dissociative photoionization of capecitabine and its metabolites, 5'-deoxy-5-fluorocytidine (5'-DFCR) and 50-deoxy-5- fluorouridine (5'-DFUR), were investigated with infrared laser desorption/tunable synchrotron VUV pho-toionization 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 de-tail. 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.

Jian Wang, Wen-jian Tang, Li-li Ye, Li-dong Zhang, Yang Pan. Vacuum Ultraviolet Photoionization and Dissociative Photoionization of Capecitabine, 50-Deoxy-5-'uorocytidine, and 50-Deoxy-5-'uorouridine[J]. Chinese Journal of Chemical Physics , 2013, 26(1): 20-26. doi: 10.1063/1674-0068/26/01/20-26
Citation: Jian Wang, Wen-jian Tang, Li-li Ye, Li-dong Zhang, Yang Pan. Vacuum Ultraviolet Photoionization and Dissociative Photoionization of Capecitabine, 50-Deoxy-5-'uorocytidine, and 50-Deoxy-5-'uorouridine[J]. Chinese Journal of Chemical Physics , 2013, 26(1): 20-26. doi: 10.1063/1674-0068/26/01/20-26

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