Arabica and Robusta Coffees: Identification of Major Polar Compounds and Quantification of Blends by Direct-Infusion Electrospray Ionization–Mass Spectrometry

Abstract

Considering that illegal admixture of robusta coffee into high-quality arabica coffee is an important task in coffee analysis, we evaluated the use of direct-infusion electrospray ionization-mass spectrometry (ESI-MS) data combined with the partial least-squares (PLS) multivariate calibration technique as a fast way to detect and quantify arabica coffee adulterations by robusta coffee. A total of 16 PLS models were built using ESI± quadrupole time-of-flight (QTOF) and ESI± Fourier transform ion cyclotron resonance (FT-ICR) MS data from hot aqueous extracts of certified coffee samples. The model using the 30 more abundant ions detected by ES+ FT-ICR MS produced the most accurate coffee blend percentage prediction, and thus, it was later successfully employed to predict the blend composition of commercial robusta and arabica coffee. In addition, ESI± FT-ICR MS analysis allowed for the identification of 22 compounds in the arabica coffee and 20 compounds in the robusta coffee, mostly phenolics.

Espresso beverages of pure origin coffee: Mineral characterization, contribution for mineral intake and geographical discrimination

“…Many others focus their attention on the discrimination of green and roasted coffee varieties, namely Coffea arabica and Coffea canephora var. robusta using different chemical components (Alonso-Salces et al, 2009;Alves, Casal, Alves, & Oliveira, 2009;Bertrand et al, 2008;Cagliani, Pellegrino, Giugno, & Consonni, 2013;Choi, Choi, Park, Lim, & Kwon, 2010;Garrett, Vaz, Hovell, Eberlin, & Rezende, 2012;Gordillo-Delgado, Marín, Cortés-Hernámdez, Mejía-Morales, & García-Salcedo, 2012;Pacetti, Boselli, Balzano, & Frega, 2013;Rodrigues et al, 2009;Wang, Fu, & Lim, 2011;Özdestan et al, 2013). However, studies concerning the characterization of espresso coffee beverages consumed worldwide, and prepared from roasted ground coffees, are limited.…”

“…Downey and Boussion (1996) investigated the potential of near-infrared reflectance spectroscopy for the authentication of coffee bean variety based on the analysis of the dried coffee extract prepared from pure arabica, pure robusta and blends of these two varieties. Garrett et al (2012) evaluated the use of direct-infusion electrospray ionization-mass spectrometry data combined with the partial leastsquares multivariate calibration technique to detect and quantify the arabica coffee adulterations by robusta coffee in drinking espresso coffee blends. Mineral content has been also used to evaluate the authenticity and geographical origin of coffee samples.…”

Discrimination of arabica coffee cultivars by electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry and chemometrics

“…Ultra-high resolution and mass accuracy mass spectrometers, such as those using Fourier transform ion cyclotron resonance (FT-ICR) analysers, have been successfully applied in metabolomics investigations for many years (Aharoni et al, 2002;Cuadros-Inostroza et al, 2010;Takahashi et al, 2008). FT-ICR MS provides high mass resolution and accuracy with mass errors of 1 ppm or less, which combined with a soft ionization, as electrospray ionization (ESI), enables the determination of molecular formulae from mass measurements only (Corilo et al, 2010;Garrett, Vaz, Hovell, Eberlin, & Rezende, 2012;Marshall & Rodgers, 2004).…”

Direct Mass Spectrometry-Based Approaches in Metabolomics

“…Usually, sample solutions must be carefully cleaned and filtered to avoid potential capillary blocking. Following this idea direct infusion ESI-FTICR (Fourier transform ion cyclotron resonance) MS of coffee drink combined with partial least-squares multivariate statistical analysis was successfully employed to predict the blend composition of commercial coffee varieties [28].…”