Untargeted metabolomics approaches challenge the Nutri-score FOPNL system in soluble cocoa products dataset

Usage notesThis dataset supports the study titled "Untargeted metabolomics approaches challenge the Nutri-Score FOPNL system in soluble cocoa products". It contains raw untargeted metabolomics data acquired from 54 commercial soluble cocoa powder samples marketed in Spain, covering 19 brands and Nutri-Score categories A to D. Samples were analysed using HPLC-ESI-TOF-MS in positive and negative ionisation mode. The resulting mzML files contain the full-scan mass spectrometry data used for metabolite profiling. All samples were anonymised and coded. Detailed metadata, including sample codes, Nutri-Score classification, and basic nutritional information, are provided in the accompanying file.