Identification of D-Fructose Dehydration Products by Infrared Multiphoton Dissociation Mass Spectrometry: The Spectral Signature of An Elusive 5-Hydroxymethylfurfural Isomer.

ABSTRACT: A combined Electrospray Infrared MultiPhoton Dissociation Mass Spectrometry (ESI-IRMPD-MS) and Density Functional Theory (DFT) investigation has allowed to elucidate the structural features of the species arising from the triple dehydration of D-fructose in the gas phase. The experimental workflow involves measuring and comparing the IRMPD spectra of different ionic populations: protonated 5-hydroxymethylfurfural [HMF·H]⁺ and the ionic species coming from the triple dehydration of the ammonium-D-fructose complex ([Fru·NH₄]⁺). The IR-photon induced fragmentation of [Fru·NH₄]⁺ reveals the coexistence of two ionic populations, which arise from of two independent not intercrossing fragmentation pathways of the ionic precursor. One populati

SUBMITTER: Fraschetti C 

PROVIDER: S-EPMC12680562 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature