Title

All of the experiments are carried out using an ESI tandem quadrupole mass spectrometer (Varian 320 LC-MS)

Lead Author Affiliation

Bioanalytical Physical Chemistry

Introduction

The measured gas-phase thermodynamic values using mass spectrometry can provide insight into the reactivity of molecular systems. However, the observed results obtained from the experimental technique are met with some uncertainties. Aside from the chemical interactions between an unknown analyte and a reference compound, other physical parameters may be considered. Our group is interested in understanding which physical parameters, if any, may affect the experimentally determined gas-phase value. In this study the two parameters studied are the solvent used and the pressure in the CID cell of a mass spectrometer. It is hypothesized that the solvent may play a role in how an ion is brought from the solution phase to the gaseous phase. As for the pressure experiments, the collisional gas pressure may affect the dissociation profile of the ions of interest. The molecules studied here are three ubiquitous compounds found in numerous consumer based products. The three compounds are methylparaben, ibuprofen, and triclosan, all sharing a feature of a single deprotonatable site.

Location

DUC Ballroom A&B

Format

Poster Presentation

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Apr 30th, 1:00 PM Apr 30th, 3:30 PM

All of the experiments are carried out using an ESI tandem quadrupole mass spectrometer (Varian 320 LC-MS)

DUC Ballroom A&B

The measured gas-phase thermodynamic values using mass spectrometry can provide insight into the reactivity of molecular systems. However, the observed results obtained from the experimental technique are met with some uncertainties. Aside from the chemical interactions between an unknown analyte and a reference compound, other physical parameters may be considered. Our group is interested in understanding which physical parameters, if any, may affect the experimentally determined gas-phase value. In this study the two parameters studied are the solvent used and the pressure in the CID cell of a mass spectrometer. It is hypothesized that the solvent may play a role in how an ion is brought from the solution phase to the gaseous phase. As for the pressure experiments, the collisional gas pressure may affect the dissociation profile of the ions of interest. The molecules studied here are three ubiquitous compounds found in numerous consumer based products. The three compounds are methylparaben, ibuprofen, and triclosan, all sharing a feature of a single deprotonatable site.