Collision-induced dissociation of uracil and its derivatives

Collision-induced dissociation mechanisms of [Li(uracil)]+.

The collision-induced dissociation (CID) of the [Li(uracil)](+) complex with Xe is studied by means of quasi-classical trajectory calculations. The potential energy surface is obtained "on the fly" from AM1 semiempirical calculations, supplemented with two-body analytical potentials to model the intermolecular interactions. The simulations show that Li(+) production is the primary channel, in a...

Comprehensive Comparison of Collision Induced Dissociation and Electron Transfer Dissociation

Electron transfer dissociation (ETD) is a recently introduced mass spectrometric technique which has proven to be an excellent tool for the elucidation of labile post-translational modifications such as phosphorylation and O-GlcNAcylation of serine and threonine residues. However, unlike collision induced dissociation (CID), which has been studied for decades, the intricacies of ETD-based fragm...

Collision-induced dissociation of fluoropyridinide anions

Collision-induced dissociation of ortho-fluoro, meta-fluoro, and 2,6-difluoropyridinide anions are studied using the selected ion flow tube echnique. Structures and energetics of the reactants, transition states, and products are calculated at the MP4(SDQ)/6-31 + G(d) level of theory ased on the B3LYP/6-311++G(d,p) and/or MP2/6-31 + G(d) optimized geometries. The monofluoropyridinide anions (C5...

Comparison of collision-induced dissociation and electron-induced dissociation of singly charged mononucleotides

Electron capture, collision-induced, and electron capture-collision induced dissociation in Q-TOF.

Recently, we demonstrated that a radio-frequency-free electromagnetostatic (rf-free EMS) cell could be retrofitted into a triple quad mass spectrometer to allow electron-capture dissociation (ECD) without the aid of cooling gas or phase-specific electron injection into the cell (Voinov et al., Rapid Commun Mass Spectrom 22, 3087-3088, 2008; Voinov et al., Anal Chem 81, 1238-1243, 2009). Subsequ...