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国家自然科学基金(10805047)

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相关作者:齐飞张李东郭会军叶莉莉贾良元更多>>
相关机构:中国科学技术大学合肥学院更多>>
发文基金:国家自然科学基金更多>>
相关领域:理学更多>>

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Dissociation Pathway Analysis of Thymine under Low Energy VUV Photon Excitation
2011年
Photon-induced dissociation pathways of thymine are investigated with vacuum ultraviolet photoionization mass spectrometry and theoretical calculations. The photoionization mass spectra of thymine at different photon energy are measured and presented. By selecting suitable photon energy, exclusively molecular ion m/z=126 is obtained. At photon energy of 12.0 eV, the major ionic fragments at m/z=98, 97, 84, 83, 70, and 55 are obtained, which are assigned to C4H6N2O+, C4H5N2O+, C3H4N2O+ (or C4H6NO+), C4H5NO+, C2NO2+, and C3H5N+, respectively. With help of theoretical calculations, the detailed dissociation pathways of thymine at low energy are well established.
李少波郭会军张李东齐飞
关键词:THYMINE
VUV Photoionization and Dissociation of Tyramine and Dopamine: the Joint Experimental and Theoretical Studies
2012年
Photon induced dissociation investigations of neutral tyramine and dopamine are carried out with synchrotron vacuum uRraviolet photoionization mass spectrometry and theoretical calculations. At low photon energy, only molecular ions are measured by virtue of nearthreshold photoionization. While increasing photon energy to 11.7 eV or more, four distinct fragment ions are obtained for tyramine and dopamine, respectively. Besides, the ionization energies of tyramine and dopamine are determined to be 7.984-0.05 and 7.674-0.05 eV by measuring the photoionization efficiency curves of corresponding molecular ions. With help of density function theory calculations, the detailed fragmentation pathways are established as well. These two molecular cations have similar aminoethyl group elimination pathways, CTHsO2+ (m/z=124) and C7H8O+ (m/z=108) are supposed to be generated by the McLafferty rearrangement via γ-hydrogen (7-H) shift inducing β-fission. And CH2NH2+ is proposed to derive from the direct fission of C7-C8 bond. Besides, the McLafferty rearrangement and the C7-C8 bond fission are validated to be dominant dissociation pathways for tyramine and dopamine cations.
郭会军叶莉莉贾良元张李东齐飞
关键词:TYRAMINEDOPAMINE
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