Investigation of fragmentation pathways of protonated 2‐methoxypyrimidine derivatives

Several representative pyrimidine derivatives were selected to undergo electrospray ionization (ESI) followed by collision‐induced dissociation tandem mass spectrometry (CID MS/MS) experiments. Two competitive pathways were found to govern the formation of major fragment ions from protonated species...

Full description

Saved in:
Bibliographic Details
Published in:Journal of mass spectrometry. 2022-09, Vol.57 (9), p.e4883-n/a
Main Authors: Zu, Chengli, Wang, Nick X., Brown, Christopher J., Yang, Qiang, Gilbert, Jeffrey R.
Format: Article
Language:English
Subjects:
CID
Deuteration
Deuterium
Dissociation
fragmentation
Heavy water
Hydrogen-deuterium exchange
Ionization
Mass spectrometry
Mass spectroscopy
MS/MS
pyrimidine derivatives
Pyrimidines
Citations: Items that this one cites
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Several representative pyrimidine derivatives were selected to undergo electrospray ionization (ESI) followed by collision‐induced dissociation tandem mass spectrometry (CID MS/MS) experiments. Two competitive pathways were found to govern the formation of major fragment ions from protonated species of these molecules. The pathways were largely affected by the 2‐O‐methyl group but not significantly influenced by the substitution on C‐5 site of the pyrimidine ring. These findings were supported by both deuterium labeling CID MS/MS experiments and theoretical calculations. The deuterium labeled pyrimidine ion molecules were generated in‐source in ESI from the fully deuterated hydrazinyl pyrimidines, which were readily obtained through hydrogen/deuterium (H/D) exchange when dissolved in deuterium oxide (D2O).
ISSN:1076-5174
1096-9888
1096-9888
DOI:10.1002/jms.4883