NMR, Mass Spectra, and Extinction Coefficients for Anabaenopeptin A, C, D and Ferintoic Acid A

Data for Data in Brief: "Molar Extinction Coefficients, NMR Data, and Mass Spectrometry Data provided for Anabaenopeptin A, C, D and Ferintoic Acid A " "This article reports a comprehensive dataset of physiochemical properties for four compounds: anabaenopeptin (AP) congeners, AP-A, AP-C, AP-D, and Ferintoic acid A (FAA). All compounds were synthesized and characterized via NMR, high-resolution mass spectrometry (HRMS), UV-Vis, and polarimetry. The identities of each AP were confirmed by 1H, 13C, 2D NMR and HRMS with MS2 fragmentation. High pressure liquid chromatography coupled with photodiode array (HPLC-PDA) analysis confirmed each AP was greater than 97% pure. Following identity verification and purity confirmation, UV-Vis profiles, molar extinction coefficients, and specific optical rotations were determined for each AP congener. Due to conflicting limited reports, the reported spectra and physiochemical properties in this work were compared to current literature values. This data will support the standardization of AP reference materials, resulting in improved reliability and comparability of monitoring and research outcomes."