Differentiation of glucose-containing disaccharides isomers by fragmentation of the deprotonated non-covalent dimers using negative electrospray ionization tandem mass spectrometry.
In this work, the glucose-containing disaccharide isomers were studied using negative electrospray ionization tandem mass spectrometry (ESI-MS/MS). Interestingly, the full-scan mass spectra of the disaccharides revealed that the deprotonated dimers were the predominant gas phase ions during ionization process. Importantly, several diagnostic fragment ions relative to linkage positions and anomeric configurations, arising from the covalent bond dissociation of dimers without breakdown of the non-covalent complexes, can be detected in the tandem mass spectra. Based on the scarce fragmentation characteristic, an original and simple approach for structural discrimination of disaccharide isomers was put forward. In addition, density functional theory (DFT) was employed to find out the reason why several fragmentations of intramolecular sugar bonds had preceded breakdown of the non-covalent complexes.
Changchun Center of Mass Spectrometry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, 5625 Renmin Street, Changchun 130022, China; Graduate School of the Chinese Academy of Sciences, Beijing 100039, China.
Debin
D
Wan
Hongmei
H
Yang
Cunyu
C
Yan
Fengrui
F
Song
Zhiqiang
Z
Liu
Shuying
S
Liu
D019281:Dimerization; D004187:Disaccharides / Q000302:isolation & purification*; D005947:Glucose / Q000737:chemistry*; D007536:Isomerism; D011522:Protons; D011789:Quantum Theory; D021241:Spectrometry, Mass, Electrospray Ionization; D053719:Tandem Mass Spectrometry
D004187:Disaccharides; D011522:Protons; D005947:Glucose
Density functional theory; Deprotonated dimer; Disaccharide; ESI-MS; Non-covalent complex