Home
Resources
Publications
Food Fingerprinting: Mass Spectrometric Determination of the Cocoa Shell Content (Theobroma Cacao L.) in Cocoa Products by HPLC-QTOF-MS

Food Fingerprinting: Mass Spectrometric Determination of the Cocoa Shell Content (Theobroma Cacao L.) in Cocoa Products by HPLC-QTOF-MS

Nicolas Cain, Oliver Alka, Torben Segelke, Kristian von Wuthenau, Oliver Kohlbacher, Markus Fischer

Food Chem. 2019 Nov 15;298:125013.

PMID: 31260999

Abstract:

The determination of cocoa shell content (Theobroma cacao L.) in cocoa products using a metabolomics approach was accomplished via high performance liquid chromatography quadrupole time-of-flight mass spectrometry (HPLC-QTOF-MS). The developed method was used to separately analyze the polar and non-polar metabolome of the cocoa testa (cocoa shell) and the cocoa cotyledons (cocoa nibs) of cocoa samples from 15 different geographic origins, harvest years, and varieties in positive and negative ion mode. Potential key metabolites were selected which are exclusively contained in the cocoa shell or with significant higher concentration in the cocoa shell than in the cocoa nibs. The pool of potential key metabolites was filtered by established selection criteria, such as temperature stability, fermentations stability, and independence from the geographic origin. Based on these key metabolites an inverse sparse partial least square regression (SPLS) was used for the prediction of the cocoa shell content.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP7367795	Docosanoic acid tryptamide		7367-79-5	Price

As a specialist in analytical chemical Products, Alfa Chemistry offers consumers a wealth of raw materials and a full range of technologies and services.

QUICK LINKS

HEADQUARTERS

Tel:

Fax:

Email: