基于多能量-多模式高分辨质谱的蔗糖酯结构鉴定策略及其在锦灯笼中的应用OA

Objective:This study aimed to establish a structural identification strategy for sucrose esters based on high-resolution mass spectrometry(HRMS)to achieve rapid and accurate analysis of these compounds.Methods:UPLC-Q-Orbitrap-HRMS technology was employed,combined with different collision energies and positive/negative ion modes,to systematically analyze 11 known sucrose ester monomers.The corresponding relationships between collision energy,ion mode and fragment ions were investigated.Their mass spectral fragmentation rules were summarized,and this strategy was further applied to the structural speculation of unknown sucrose ester components in Physalis alkekengi L.var.franchetii(Mast.)Makino.Results:Based on the differential cleavage tendency and sequence of ester bonds at different positions under different collision energies,a targeted struc-tural identification strategy was constructed.A total of 35 previously unknown sucrose esters were inferred from the extract,in-cluding 23 di-/tri-substituted and 12 2,3,4,6-tetra-substituted sucrose esters.The specific substitution positions of all tetra-substituted sucrose esters were unambiguously assigned,while for the di-/tri-substituted ones,only the substituent composition could be confirmed,with their specific locations remaining undetermined.Conclusion:The established multi-energy and multi-mode high-resolution mass spectrometry analysis strategy can provide a systematic and reliable method basis for the structural identification of 2,3,4,6-tetra-substituted sucrose esters,effectively solving the identification difficulties of such components caused by numerous isomers and similar structures,and pro-viding a universal technical reference for the structural charac-terization and in-depth research of sucrose ester components.