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Arabica and robusta coffees: identification of major polar compounds and quantification of blends by direct-infusion electrospray ionization-mass spectrometry.
J Agric Food Chem. 2012 May 02; 60(17):4253-8.JA

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.

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Publisher Full Text (DOI)

Authors+Show Affiliations

Garrett R
Aroma Analysis Laboratory, Institute of Chemistry, Federal University of Rio de Janeiro, 21945-970 Rio de Janeiro, Rio de Janeiro-RJ, Brazil.
Vaz BG
No affiliation info available
Hovell AM
No affiliation info available
Eberlin MN
No affiliation info available
Rezende CM
No affiliation info available

MeSH

CoffeaCoffeeFood ContaminationFourier AnalysisLeast-Squares AnalysisPhenolsSeedsSpectrometry, Mass, Electrospray Ionization

Pub Type(s)

Journal Article
Research Support, Non-U.S. Gov't

Language

eng

PubMed ID

22490013

Citation

Garrett, Rafael, et al. "Arabica and Robusta Coffees: Identification of Major Polar Compounds and Quantification of Blends By Direct-infusion Electrospray Ionization-mass Spectrometry." Journal of Agricultural and Food Chemistry, vol. 60, no. 17, 2012, pp. 4253-8.
Garrett R, Vaz BG, Hovell AM, et al. Arabica and robusta coffees: identification of major polar compounds and quantification of blends by direct-infusion electrospray ionization-mass spectrometry. J Agric Food Chem. 2012;60(17):4253-8.
Garrett, R., Vaz, B. G., Hovell, A. M., Eberlin, M. N., & Rezende, C. M. (2012). Arabica and robusta coffees: identification of major polar compounds and quantification of blends by direct-infusion electrospray ionization-mass spectrometry. Journal of Agricultural and Food Chemistry, 60(17), 4253-8. https://doi.org/10.1021/jf300388m
Garrett R, et al. Arabica and Robusta Coffees: Identification of Major Polar Compounds and Quantification of Blends By Direct-infusion Electrospray Ionization-mass Spectrometry. J Agric Food Chem. 2012 May 2;60(17):4253-8. PubMed PMID: 22490013.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Arabica and robusta coffees: identification of major polar compounds and quantification of blends by direct-infusion electrospray ionization-mass spectrometry. AU - Garrett,Rafael, AU - Vaz,Boniek G, AU - Hovell,Ana Maria C, AU - Eberlin,Marcos N, AU - Rezende,Claudia M, Y1 - 2012/04/18/ PY - 2012/4/12/entrez PY - 2012/4/12/pubmed PY - 2012/8/18/medline SP - 4253 EP - 8 JF - Journal of agricultural and food chemistry JO - J Agric Food Chem VL - 60 IS - 17 N2 - 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. SN - 1520-5118 UR - https://www.unboundmedicine.com/medline/citation/22490013/Arabica_and_robusta_coffees:_identification_of_major_polar_compounds_and_quantification_of_blends_by_direct_infusion_electrospray_ionization_mass_spectrometry_ L2 - https://doi.org/10.1021/jf300388m DB - PRIME DP - Unbound Medicine ER -