The Mechanism of a Retro-Diels–Alder Fragmentation of Luteolin: Theoretical Studies Supported by Electrospray Ionization Tandem Mass Spectrometry Results

The Mechanism of a Retro-Diels–Alder Fragmentation of Luteolin: Theoretical Studies Supported by Electrospray Ionization Tandem Mass Spectrometry Results

The mechanisms of retro-Diels–Alder fragmentation of luteolin are studied theoretically using the Density Functional Theory method (B3LYP hybrid functional) together with the 6-311++G(d,p) basis set and supported by electrospray ionization tandem mass spectrometry (ESI-MS) results. The reaction path...

Full description

Bibliographic Details
Main Authors: Magdalena Śliwka-Kaszyńska, Iwona Anusiewicz, Piotr Skurski
Format: Article
Language:English
Published: MDPI AG 2022-02-01
Series:Molecules
Subjects:
flavonoids
luteolin
fragmentation mechanism
retrocyclization
liquid chromatography mass spectrometry
Online Access:https://www.mdpi.com/1420-3049/27/3/1032

Internet

https://www.mdpi.com/1420-3049/27/3/1032

Similar Items