Tandem mass spectrometry of some nitropyridylaryl sulfides

Development of binding assays to screen ligands for Plasmodium falciparum thioredoxin and glutathione reductases by ultrafiltration and liquid chromatography/mass spectrometry

“…The main fragment observed at m/z 198.9814 [M−H] − in the MS spectrum with molecular formula C 6 H 3 N 2 O 4 S (DBE: 6) is proposed due to the loss of the dinitrophenyl unit (C 6 H 3 N 2 O 4 ) from the molecule. The electron withdrawing substituents such as nitro groups in the aryl unit may facilitate the S-aryl bond fission, and this phenomenon in some of the nitropyridylaryl nitro sulfides has been reported [30].…”

“…Compound 4 (1 M) was incubated with 1 M PfTrxR and 0.5 M PfGR enzyme and the trapped ligand was released and analyzed by negative ion electrospray MS. The study of nitro aryl derivatives by different mass spectrometric techniques has attracted great attention and interest in recent years because of their fragmentation process involving skeletal rearrangements [30]. A number of detection methods for nitro aryl and diaryl sulfides using positive and negative ion electrospray mass spectrometry experiments have been reported in the literature [31][32][33].…”