UV–Vis and tandem mass spectrometry data supporting anthocyanin identification in purple corn extracts
Description
This dataset contains source analytical data supporting the identification and characterization of anthocyanins reported in the publication “Green sample preparation for anthocyanin extraction from purple corn: Analytical evaluation of pressurized liquid and ultrasound-assisted extraction using sustainable solvents” by Custodio Mendoza et al. (2025), published in Analytical and Bioanalytical Chemistry (DOI: 10.1007/s00216-025-05951-8). The study focused on the development and analytical evaluation of environmentally sustainable extraction approaches for anthocyanins from purple corn (Zea mays L.), including pressurized liquid extraction and ultrasound-assisted extraction. Particular attention was paid to the use of greener solvent systems and to the optimization of extraction conditions in order to obtain efficient recovery of anthocyanins while reducing the environmental impact of the analytical procedure. The files deposited in this dataset contain original UV–Vis absorption spectra and tandem mass spectrometry (MS/MS) spectra obtained during the chromatographic and mass-spectrometric characterization of anthocyanins present in the analyzed extracts. These spectra constitute underlying analytical evidence used to support qualitative compound identification. The UV–Vis files show the characteristic spectral profiles and absorption maxima recorded for selected anthocyanins during HPLC analysis. Anthocyanins exhibit characteristic absorption in the visible region, typically around 500–540 nm, together with additional absorption features in the ultraviolet region. These spectral characteristics were used in combination with chromatographic retention behavior and mass-spectrometric information to support the identification of individual compounds. The MS/MS files contain tandem mass spectra acquired in positive electrospray ionization mode. The spectra include precursor ions and characteristic product ions generated by collision-induced dissociation. Fragmentation patterns were used to obtain structural information concerning the anthocyanidin aglycone, glycosylation pattern, and, where applicable, additional substituents or acylation. The combination of precursor-ion mass, product-ion information, UV–Vis spectral characteristics, and chromatographic retention data provided complementary evidence for compound assignment. The deposited source files include spectra corresponding to selected anthocyanins and anthocyanin-related compounds evaluated during the analytical work, including cyanidin, pelargonidin, peonidin, petunidin, and malvidin derivatives. Depending on the compound, both UV–Vis and MS/MS spectra are provided, while for some analytes only one type of source spectrum was available. The original spectra are preserved as image files generated from the analytical software in order to retain the experimental information available at the time of data processing.
Files
Institutions
- Warsaw University of Life SciencesMazovia, Warsaw