UHPLC-ESI-QqTOF-MS/MS characterization of minor chlorogenic acids in roasted Coffea arabica from different geographical origin.

Chlorogenic acids are relevant coffee quality markers, taste, and aroma precursors as well as important bioactive compounds. A number of mono-acyl, di-acyl, and tri-acyl quinic acid isomers were found in green coffee beans, being mono-caffeoyl, mono-feruloyl, mono-p-coumaroyl, and di-caffeoylquinic acid isomers considered as quantitatively major compounds. Roasting process increases the chemical complexity of coffee by inducing the formation of a number of lactones (quinides), shikimates, and other chlorogenic acids derivatives. So far, little attention has been paid in characterizing minor chlorogenic acids and derivatives in roasted Coffea arabica, also known as Arabica. In the present work, roasted C. arabica samples from different geographical origins (Brazil, Colombia, Costa Rica, Ethiopia, Guatemala, and India) were characterized by UHPLC-ESI-QqTOF-MS/MS. Several minor chlorogenic acid isomers were identified. In particular, HR-MS/MS provided putative identification of four dimethoxycinnamoyl-quinic acid derivatives, such as 4-dimethoxycinnamoylquinic acid, 4-dimethoxycinnamoyl-3-caffeoylquinic acid, 3-dimethoxycinnamoyl-4-feruloylquinic acid, 4-dimethoxycinnamoyl-5-feruloylquinic acid, and two caffeoyl, feruloyl quinic acid derivatives (3-caffeoyl-4-feruloylquinic acid and 3-feruloyl-4-caffeoylquinic acid). To our knowledge, these compounds were found in roasted Arabica coffee for the first time, and their presence is independent on the different geographical origins examined.

De Rosso M ，Colomban S ，Flamini R ，Navarini L ... -  《-》

Botanical and geographical characterization of green coffee (Coffea arabica and Coffea canephora): chemometric evaluation of phenolic and methylxanthine contents.

Alonso-Salces RM ，Serra F ，Reniero F ，Héberger K ... -  《-》

Comparison and quantification of chlorogenic acids for differentiation of green Robusta and Arabica coffee beans.

Coffea arabica and Coffea canephora (Robusta coffee) are the most commonly consumed coffee varieties globally. In this contribution, NMR was used to confirm the coffee authenticity and LC-ESI-MSn technique was employed to profile and quantify the most abundant chlorogenic acid in 54 different samples of the two coffee varieties from diverse origins. Significant variations were observed for feruloyl quinic acids, dicaffeoyl quinic acids and 5-sinapoylquinic acid while the mono-caffeoyl quinic acids showed no variation when the two coffee varieties were compared. Additionally isomer ratios were explored as a potential marker for coffee authenticity along with a thorough statistical evaluation of rather extensive data set. Robusta 5-CQA when compared with 3,4-DiCQA Robusta shows high positive correlation, similar high correlation coefficient was observed in 5-pCoQA Robusta when compared with 3-pCoQA as against the Arabica.

Badmos S ，Lee SH ，Kuhnert N 《-》

Characterization by LC-MS(n) of four new classes of p-coumaric acid-containing diacyl chlorogenic acids in green coffee beans.

Clifford MN ，Marks S ，Knight S ，Kuhnert N ... -  《JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY》

Profile and characterization of the chlorogenic acids in green Robusta coffee beans by LC-MS(n): identification of seven new classes of compounds.

Jaiswal R ，Patras MA ，Eravuchira PJ ，Kuhnert N ... -  《-》