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Sammanfattning

MS2 and MS3 spectra of thirteen previously identified saponin structures from Quillaja saponaria Molina were obtained by electrospray ionization ion trap multiple-stage mass spectrometry (ESI-ITMSn) in positive ion mode. The spectra were analysed by partial least squares regression-discriminant analysis (PLS-DA) yielding a method that can classify the spectra according to saponin structure. For this method a referencing of the m/z axis was essential to obtain a correlation between peaks in the spectra and common structural elements. The MS2 and MS3 spectra could be classified according to the structures of the oligosaccharides at C-3 and C-28 of the corresponding saponins. Terminal residues with the same mass, such as beta-D-Apif and beta-D-Xylp, could also be distinguished. The PLS-DA method was applied on Quillaja saponins separated from a commercial bark extract by reversed-phase chromatography.The method outlined here is applied on a specific group of Quillaja saponins, but can be used on other types of glycoconjugates. Combination of this technique with chromatography would give a very powerful tool for rapid identification of components in complex mixtures. (C) 2007 Elsevier B.V. All rights reserved.

Nyckelord

electrospray ionization ion trap multiple-stage mass spectrometry; Quillaja saponins; oligosaccharide sequencing; structure determination; PCA; PLS-DA

Publicerad i

Chemometrics and Intelligent Laboratory Systems
2008, volym: 90, nummer: 2, sidor: 178-187
Utgivare: ELSEVIER SCIENCE BV

SLU författare

UKÄ forskningsämne

Livsmedelsvetenskap

Publikationens identifierare

  • DOI: https://doi.org/10.1016/j.chemolab.2007.09.008

Permanent länk till denna sida (URI)

https://res.slu.se/id/publ/17460