The 10th Asia-Oceania Mass Spectrometry Conference (AOMSC2025) - organized by the Mass Spectrometry Society of Japan

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Day 2, June 23(Mon.) 

Room P (Maesato East, Foyer, Ocean Wing)

Cyclopeptides from ,Amaioua, a new mass spectrometry approach

(1UFG/ Goias Fed. Univ., 2CRTI/UFG)
oLucilia Kato1, Emiret de Faria1, Cecilia de Oliveira2

Cyclopeptide alkaloids (CA) have a macrocyclic ring, large surface binding area, and relatively small size. These molecules are important in medicinal chemistry and pharmacology1). The characterization of cyclopeptide alkaloids in complex matrices requires a combination of advanced techniques, with mass spectrometry (MS) performing an essential role in their sequencing and structural elucidation. This study explores an innovative approach integrating LC-MS with molecular networking for the targeted identification of CA in Amaioua guianensis. The samples were evaluated by LC/PDA/ESI-HRMS. The optimization of the ionization parameters led to fragmentation of peptide bonds, and additional data sets were used to distinguish low-mass substituents. A series of ions were selected whose main fragments were common to almost all ions present in the analyzed fractions. The developed method improves detection and fragmentation efficiency, particularly through electrospray ionization (ESI). This study improves analytical workflows in natural product chemistry. Furthermore, it contributes to expanding the chemical knowledge of A. guianensis by identifying cyclopeptide alkaloids. This study advances MS methodologies for the discovery of proteomic and bioactive molecules in complex samples. This approach highlights the importance of tailored ionization and fragmentation strategies in high-resolution mass spectrometry for biomolecular research.