title: Comparison of high- and low-energy collision-induced dissociation tandem mass spectrometry in the analysis of glycoalkaloids and their aglycons.
abstract: Four aglycons (tomatidine, demissidine, solanidine, and solasodine) and three glycoalkaloids (α-tomatine, α-chaconine, and α-solanine) have been analyzed by positive ion liquid secondary ion high-energy and low-energy collision-induced dissociation (CID) tandem mass Spectrometry, performed on a four-sector (EBEB) and a hybrid (EBQQ) instrument, respectively. Both high- and low-energy collision-induced dissociation mass spectra of [M+H](+) ions of these compounds provided structural information that aided the characterization of the different aglycons and of the carbohydrate sequence and linkage sites in the glycoalkaloids. Low-energy CID favors charge-driven fragmentation of the aglycon rings, whilst high-energy CID spectra are more complex and contain additional ions that appear to result from charge-remote fragmentations, multiple cleavages, or complex charge-driven rearrangements. With respect to the structural characterization of the carbohydrate part, low-energy CID fragmentations of sugar residues in the glycoalkaloids generate Y n (+) ions and some low intensity Z n (+) ions; the high-energy spectra also exhibit strong (1,5)X n (+) ions, formed by multiple cleavage of the sugar ring, and significant Z n (+) ions.
authors.affiliation: Department of Pharmaceutical Sciences, University of Antwerp, B-2610, Antwerpen (Wilrijk), Belgium.
authors.forename: M
authors.initials: M
authors.lastname: Claeys
authors.forename: H
authors.initials: H
authors.lastname: Van den Heuvel
authors.forename: S
authors.initials: S
authors.lastname: Chen
authors.forename: P J
authors.initials: PJ
authors.lastname: Derrick
authors.forename: F A
authors.initials: FA
authors.lastname: Mellon
authors.forename: K R
authors.initials: KR
authors.lastname: Price