Food Targeting: Determination of the Cocoa Shell Content (Theobroma cacao L.) in Cocoa Products by LC-QqQ-MS/MS

Metabolites
Nicolas CainMarkus Fischer

Abstract

A targeted metabolomics LC-ESI-QqQ-MS/MS application for the determination of cocoa shell based on 15 non-polar key metabolites was developed, validated according to recognized guidelines, and used to predict the cocoa shell content in various cocoa products. For the cocoa shell prediction, different PLSR models based on different cocoa shell calibration series were developed and their suitability and prediction quality were compared. By analysing samples from different origins and harvest years with known shell content, the prediction model could be confirmed. The predicted shell content could be verified with a deviation of about 1% cocoa shell. The presented method demonstrates the suitability of the targeted application of metabolomic profiling for the determination of cocoa shell and its applicability in routine analysis is discussed.

References

May 31, 2003·Food Additives and Contaminants·S MounicouR Lobinski
Oct 7, 2004·Critical Reviews in Food Science and Nutrition·Rosane F Schwan, Alan E Wheals
Jan 24, 2007·Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences·Erin ChambersJeffrey R Mazzeo
Aug 15, 2009·Food Additives & Contaminants. Part A, Chemistry, Analysis, Control, Exposure & Risk Assessment·Pierre MandaGérard Fourny
Nov 10, 2014·Analytical and Bioanalytical Chemistry·Roberto Maria PellegrinoGabriele Cruciani

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Methods Mentioned

BETA
metabolomic profiling

Software Mentioned

Analyst
Unscrambler X
AB Sciex

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