Liquid chromatographic/electrospray ionization tandem mass spectrometric study of polyphenolic composition of four cultivars of Fragaria vesca L. berries and their comparative evaluation

Abstract

High-performance liquid chromatography coupled with ion spray mass spectrometry in the tandem mode with both negative and positive ionization was used for investigating a variety of polyphenolic compounds in four genotypes of Fragaria vesca berries. About 60 phenolic compounds belonging to the compound classes of phenolic acids, ellagitannins, ellagic acid derivatives, flavonols, monomeric and oligomeric flavanols, dihydrochalcones and anthocyanins were reported, providing for the first time a quite complete picture of polyphenolic composition of F. vesca berries. Some of the polyphenols herein investigated, such as a tris-galloyl-hexahydroxydiphenoyl-hexose, two castalagin/vescalagin-like isomers and peonidin-malonylglucoside, were described for the first time. Principal component analysis applied on original HPLC-MS/MS data, acquired in multiple reaction monitoring mode, successfully discriminated the four investigated cultivars on the basis of their polyphenolic composition, highlighting the fundamental role of mass spectrometry for food characterization.

Phenolic profile and antioxidant properties of commercial and wild Fragaria vesca L. roots: A comparison between hydromethanolic and aqueous extracts

“…Similar propelargonidin trimers were also reported in fruits of F. vesca by Bubba et al (2012) and Sun et al (2014).…”

“…Peaks 18 Even though the above compounds (2, 18, 21, 22, 20 and 25) were previously reported in fruits of F. vesca (Bubba et al, 2012;Sun et al, 2013;Gasperotti et al, 2014), as well as in leaves and fruits of F. chiloensis (Simirgiotis and Schmeda-Hirschmann, 2010), this is the first time that they are described in roots of F. vesca. and mass spectral characteristics were found in fruits of F. vesca (Bubba et al, 2012;Sun et al, 12 2014), strawberry (Gasperotti et al, 2013) and fruits and leaves of F. chiloensis (Simirgiotis and Schmeda-Hirschmann, 2010), and identified either as methylellagic acid pentosides or ellagic acid rhamnoside.…”

“…Da lower than the original flavanol constituents (Friedrich et al, 2000;Gu et al, 2003 chiloensis (Simirgiotis and Schmeda-Hirschmann, 2010) and fruits of F. vesca (Bubba et al, 2012;Sun et al, 2014). Similarly, the presence of that unit in middle position of the trimers must be also discarded owing to the production of the fragment at m/z 577 (-272 mu) from the loss of an (epi)afzelechin unit, indicating its position on the end of the structure.…”

“…Therefore, it can be concluded that the profile in ellagic acid derivatives is not specific of a plant species, depending on the cultivar and environmental factors with influence on the secondary metabolism. Bubba et al (2012) and in strawberry fruits by Gasperotti et al (2013) that identified it as strictinin (i.e., galloyl-HHDP-glucose).…”

“…Proanthocyanidins, condensed tannins, can be also found in high concentrations in berries, although they are usually underestimated due to the difficulties associated with extraction, separation and analysis methodologies (Aaby et al, 2012). 4 There are many reports on the phenolic compounds of Fragaria x ananassa variety (Aaby et al, 2012;Andersen et al, 2004;Bodelón et al, 2010;Bordonaba et al, 2011;Fossen et al, 2004;Holzwarth et al, 2012;Lopes da Silva et al, 2007;Pinto et al, 2008;Tarola et al, 2013;Theocharis and Andlauer, 2013), but only a few studies are available regarding phenolic composition of F. vesca fruits (Bubba et al, 2012;Gasperotti et al, 2013;Sun et al, 2014;Zheng et al, 2007).…”