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Issue 42, 2016
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Chemical profiles of Robusta and Arabica coffee by ESI(−)FT-ICR MS and ATR-FTIR: a quantitative approach

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Abstract

This paper reports a method to quantify Robusta coffee in Arabica coffee blends using univariate and multivariate models. Coffee samples were analyzed by negative-ion mode electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI(−)FT-ICR MS) and by attenuated total reflection Fourier transform spectroscopy in the mid-infrared region (ATR-FTIR). To build the univariate calibration model with ESI(−)FT-ICR MS data, 12 samples of Arabica coffee adulterated with different proportions of Robusta coffee and doped with an internal standard were used. For the ATR-FTIR analysis, a higher variability of adulteration was employed with a total of 23 blend samples, and a partial least squares (PLS) regression model was proposed. The obtained univariate calibration model had limits of detection (LOD) and quantification (LOQ) of 0.2 and 0.3 wt%, respectively, whereas the PLS model with ATR-FTIR data had LOD and LOQ values of 1.3 and 4.3 wt%. Repeatability and intermediate precision for the ESI(−)FT-ICR MS model were 4 wt% and 5 wt%, respectively, and for the model with ATR-FTIR data both were 1.7 wt%. The proposed methodologies also enable the prediction of Robusta coffee adulteration in Arabica coffee commercial samples.

Graphical abstract: Chemical profiles of Robusta and Arabica coffee by ESI(−)FT-ICR MS and ATR-FTIR: a quantitative approach

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Publication details

The article was received on 05 Sep 2016, accepted on 30 Sep 2016 and first published on 03 Oct 2016


Article type: Paper
DOI: 10.1039/C6AY02501C
Citation: Anal. Methods, 2016,8, 7678-7688
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    Chemical profiles of Robusta and Arabica coffee by ESI(−)FT-ICR MS and ATR-FTIR: a quantitative approach

    R. M. Correia, L. B. Loureiro, R. R. T. Rodrigues, H. B. Costa, B. G. Oliveira, P. R. Filgueiras, C. J. Thompson, V. Lacerda and W. Romão, Anal. Methods, 2016, 8, 7678
    DOI: 10.1039/C6AY02501C

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