Analytical dataset on volatile compounds of cocoa bean shells from different cultivars and geographical origins

Letricia Barbosa-Pereira; Olga Rojo-Poveda; Ilario Ferrocino; Manuela Giordano; Giuseppe Zeppa

doi:10.1016/j.dib.2019.104268

Analytical dataset on volatile compounds of cocoa bean shells from different cultivars and geographical origins

Data Brief. 2019 Jul 26:25:104268. doi: 10.1016/j.dib.2019.104268. eCollection 2019 Aug.

Authors

Letricia Barbosa-Pereira¹, Olga Rojo-Poveda^{1

2}, Ilario Ferrocino¹, Manuela Giordano¹, Giuseppe Zeppa¹

Affiliations

¹ Department of Agriculture, Forestry and Food Sciences (DISAFA), University of Turin, Grugliasco, Italy.
² RD3 Department-Unit of Pharmacognosy, Bioanalysis and Drug Discovery, Faculty of Pharmacy, Université Libre de Bruxelles, Brussels, Belgium.

Abstract

This data article describes the analysis of volatile organic compounds (VOCs) in 44 samples of cocoa bean shells (CBS) obtained from cocoa beans of diverse cultivars and collected in different geographical origins. The volatile compounds were extracted by headspace solid-phase microextraction (HS-SPME) method and then analyzed by gas chromatography coupled to a quadrupole mass spectrometry GC-qMS. The retention times, identification and semi-quantification of 101 VOCs are reported. Data collected on the volatile profile of CBS samples using E-nose analysis are also available. Additional data related to physicochemical characteristics and color analysis for CBS samples are reported. Further interpretation and discussion on these datasets can be found in the related article entitled "Assessment of volatile fingerprint by HS-SPME/GC-qMS and E-nose for the classification of cocoa bean shells using chemometrics" (Barbosa-Pereira et al., 2019).

Keywords: CBS, cocoa bean shell; Cocoa bean shell (CBS); Cocoa by-product; DVB/CAR/PDMS, divinylbenzene/carboxen/ polydimethylsiloxane; E-nose; E-nose, electronic nose; HS-SMPE/GC-qMS; HS-SPME/GC-qMS, headspace solid-phase micro-extraction coupled with gas chromatography-quadrupole mass spectrometry; ISTD, internal standard; VOC, volatile organic compound; Volatile compounds.