ArticleJournal of mass spectrometry : JMS2026
A Combined MS/MS and IMS Study Into the Fragmentation Pathway of Nifedipine.
Article in Journal of mass spectrometry : JMS, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Collision-induced dissociation (CID) of small molecules, typically with a molecular mass below 1500 Da, is widely applied for the structural identification of drug metabolites, synthetic by-products and unknown compounds. Nonetheless, the interpretation of MS/MS spectra derived from protonated or sodiated molecules mainly relies on the comparison with literature data and proposed structures usually lack rigorous mechanistic justification and conclusive evidence. The commonly applied even-electron rule, as implemented in most literature and prediction software, does not support radical loss from protonated molecules. Similarly, fragmentation pathways of sodium adduct ions remain insufficiently explored and lack mechanistic rationalization. To improve the understanding of radical loss from even-electron nitro-containing compounds, a mechanistic study of fragmentation patterns of nifedipine, m-nifedipine, and related analogues was performed. Fragment ions generated from [M+H]
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