Encounter Complex of Adenine with Carboplatin and Oxaliplatin Anticancer Drugs Elucidated by IRMPD Spectroscopy and Theoretical Study.

ABSTRACT: Ionic complexes containing the nucleobase adenine and either carboplatin (CarboPt) or oxaliplatin (OxaliPt) were generated in solution and subsequently studied in the gas phase by combining tandem mass spectrometry, infrared multiple photon dissociation (IRMPD) spectroscopy, and density functional theory (DFT) calculations. The protonated complexes of the general formula [Pt drug+H+adenine]⁺ were first analyzed by collision-induced dissociation (CID). Their CID mass spectra show only one fragment, corresponding to the loss of neutral adenine. The structure of these complexes was elucidated by comparing their IRMPD spectra recorded in the fingerprint and H-X stretching ranges with DFT-calculated IR spectra. Unexpectedly, the IRMPD spectra of both complexes were not consistent wit

SUBMITTER: Chiavarino B 

PROVIDER: S-EPMC11920941 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature