Proton-transfer reaction mass spectrometry.

Structures of Fluoranthene Reagent Anions Used in Electron Transfer Dissociation and Proton Transfer Reaction Tandem Mass Spectrometry.

Ion/ion reactions have in recent years seen widespread use in ion activation methods such as electron transfer dissociation (ETD) tandem mass spectrometry (MS/MS) as well as in charge manipulation of highly charged peptides/proteins and their fragments by proton transfer reaction (PTR). These techniques have, in combination, enabled top-down proteomics on limited-resolution benchtop mass spectr...

Proton transfer reaction rate constants between hydronium ion (H3O ) and volatile organic compounds

We report proton transfer reaction rate constants between the hydronium ion (H3O ) and selected atmospherically important volatile organic compounds (VOCs). The quantum chemical method was used to determine the structures of the organic species employing the density function theory-B3LYP. The ion–molecule reaction rates were determined using the average-dipole-orientation theory, along with the...

Recent developments in the ion/ion chemistry of high-mass multiply charged ions.

The ability to form multiply charged high-mass ions in the gas-phase, most notably via electrospray ionization (ESI), has allowed the study of many different combinations of positively and negatively charged ions. The charged products are directly amenable to study with mass spectrometry. Ion/ion reactions have proved to be "universal" in the sense that the high exothermicities and large rate c...

Author's response to reviews Title: Standardised exhaled breath collection for the measurement of exhaled volatile organic compounds by proton transfer reaction mass spectrometry Authors:

Gas-Phase Fragmentation of Protonated N,2-Diphenyl-N'-(p-Toluenesulfonyl)Ethanimidamides: Tosyl Cation Transfer Versus Proton Transfer.

The gas-phase dissociation chemistry of protonated N,2-diphenyl-N'-(p-toluenesulfonyl) ethanimidamides was investigated by electrospray ionization mass spectrometry in combination with density functional theory calculation. The protonated molecules underwent fragmentation via two main competing channels: (1) migration of the tosyl cation to the anilinic N atom and the subsequent loss of 2-pheny...

Gas-Phase Reactions of Dimethyl Disulfide with Aliphatic Carbanions - A Mass Spectrometry and Computational Study

Ion-molecule reactions of Me2S2 with a wide range of aliphatic carbanions differing by structure and proton affinity values have been studied in the gas phase using mass spectrometry techniques and DFT calculations. The analysis of the spectra shows a variety of product ions formed via different reaction mechanisms, depending on the structure and proton affinity of the carbanion. Product ions o...