biostudies-literatureUnknown12(3)Afifi SMDifferences between seven authentic samples of <i>Citrus sinensis</i> var. Valencia peel (albedo and flavedo) and juices from Spain and Uruguay, in addition to a concentrate obtained from Brazil, were investigated by untargeted metabolic profiling. Sixty-six metabolites were detected by nano-liquid chromatography coupled to a high-resolution electrospray-ionization quadrupole time-of-flight mass spectrometer (nLC-ESI-qTOF-MS) belonging to phenolic acids, coumarins, flavonoid glycosides, limonoids, terpenes, and fatty acids. Eleven metabolites were detected for the first time in <i>Citrus sinensis</i> and identified as citroside A, sinapic acid pentoside, apigenin-<i>C</i>-hexosyl-<i>O</i>-pentoside, chrysoeriol-<i>C</i>-hexoside, di-hexosyl-diosmetin, perilloside A, gingerol, ionone epoxidFoods (Basel, Switzerland)579https://www.ebi.ac.uk/biostudies/studies/S-EPMC9914239biostudies-literatureComparative Untargeted Metabolic Profiling of Different Parts of <i>Citrus sinensis</i> Fruits via Liquid Chromatography-Mass Spectrometry Coupled with Multivariate Data Analyses to Unravel Authenticity.PMC9914239Afifi SMKrings UBerger RGKabbash EMEsatbeyoglu TfalseComparative Untargeted Metabolic Profiling of Different Parts of <i>Citrus sinensis</i> Fruits via Liquid Chromatography-Mass Spectrometry Coupled with Multivariate Data Analyses to Unravel Authenticity.Differences between seven authentic samples of <i>Citrus sinensis</i> var. Valencia peel (albedo and flavedo) and juices from Spain and Uruguay, in addition to a concentrate obtained from Brazil, were investigated by untargeted metabolic profiling. Sixty-six metabolites were detected by nano-liquid chromatography coupled to a high-resolution electrospray-ionization quadrupole time-of-flight mass spectrometer (nLC-ESI-qTOF-MS) belonging to phenolic acids, coumarins, flavonoid glycosides, limonoids, terpenes, and fatty acids. Eleven metabolites were detected for the first time in <i>Citrus sinensis</i> and identified as citroside A, sinapic acid pentoside, apigenin-<i>C</i>-hexosyl-<i>O</i>-pentoside, chrysoeriol-<i>C</i>-hexoside, di-hexosyl-diosmetin, perilloside A, gingerol, ionone epoxid2023-01-01T00:00:00Z2023 Jan2025-04-04T11:10:34.14Z2025-04-04T11:10:34.14ZS-EPMC99142393676610810.3390/foods12030579