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dc.contributor.authorHu, Xiaomei
dc.contributor.authorGao, Xiang
dc.contributor.authorZhu, Jun
dc.contributor.authorZeng, Zhiping
dc.contributor.authorZhang, Xinghua
dc.contributor.authorLin, Zhiwei
dc.contributor.authorXu, Pengxiang
dc.contributor.authorLiu, Yan
dc.contributor.authorZhao, Yufen
dc.contributor.author赵玉芬
dc.date.accessioned2012-02-21T08:08:57Z
dc.date.available2012-02-21T08:08:57Z
dc.date.issued2011-09-26
dc.identifier.citationRAPID COMMUNICATIONS IN MASS SPECTROMETRY,2011,25(20):3151-3160zh_CN
dc.identifier.issn0951-4198
dc.identifier.urihttp://dx.doi.org/doi:10.1002/rcm.5210
dc.identifier.urihttps://dspace.xmu.edu.cn/handle/2288/11476
dc.identifier.uriWOS:000295725900022
dc.description.abstractThe fragmentation pathways of both protonated and sodiated pentacoordinate spirobicyclic aminoacylphosphoranes (P-AAs) have been studied by electrospray ionization multi-stage mass spectrometry (ESI-MS(n)) in positive mode. The possible pathways and their mechanisms are elucidated through the combination of ESI-MS/MS, isotope ((15) N and (2)H) labeling and high-resolution Fourier transform ion cyclotron resonance (FTICR)-MS/MS. The relative Gibbs free energies (Delta G) of the product ions and possible fragmentation pathways are estimated at the B3LYP/6-31 G(d) level of theory. The theoretical calculations show that both protonated and sodiated P-AAs would quickly fragment before Berry pseudorotation. For protonated P-AAs, they have different tendencies to P-O or P-N bond cleavage. For sodiated P-AAs, the P-N bond is easier to cleave and produces the tetracoordinated phosphorus ion H. These results to some extent may give a clue to the chemistry of the active sites of phosphoryl transfer enzymes and will enrich the gas-phase ESI-MS ion chemistry of pentacoordinate phosphoranes. Copyright (C) 2011 John Wiley & Sons, Ltd.zh_CN
dc.description.sponsorshipNational Natural Science Foundation of China[21075103, 20972130, 20805037, 20732004]; Xiamen Universityzh_CN
dc.language.isoenzh_CN
dc.publisherWILEY-BLACKWELLzh_CN
dc.titleFragmentation of pentacoordinate spirobicyclic aminoacylphosphoranes (P-AAs) by electrospray ionization tandem mass spectrometry concerning P-O and P-N bond cleavagezh_CN
dc.typeArticlezh_CN


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