A selected ion flow drift tube mass spectrometric analytical technique, SIFDT-MS, is described that extends the established selected ion flow tube mass spectrometry, SIFT-MS, by the inclusion of a static but variable E-field along the axis of the flow tube reactor in which the analytical ion-molecule chemistry occurs. The ion axial speed is increased in proportion to the reduced field strength E/N (N is the carrier gas number density) and the residence/reaction time, t, which is measured by Hadamard transform multiplexing, is correspondingly reduced. To ensure a proper understanding of the physics and ion chemistry underlying SIFDT-MS, ion diffusive loss to the walls of the flow-drift tube and the mobility of injected H3O+ ions have been studied as a function of E/N. It is seen that the derived diffusion coefficient and mobility of H3O + ions are consistent with those previously reported. The rate coefficient has been determined at elevated E/N for the association reaction of the H3O + reagent ions with H2O molecules, which is the first step in the production of H3O + (H2O)1,2,3 reagent hydrate ions. The production of hydrated analyte ion was also experimentally investigated. The analytical performance of SIFDT-MS is demonstrated by the quantification of acetone and isoprene in exhaled breath. Finally, the essential features of SIFDT-MS and SIFT-MS are compared, notably pointing out that a much lower speed of the flow-drive pump is required for SIFDT-MS, which facilitates development of smaller cost-effective analytical instruments for real time breath and fluid headspace analyses.

This study has provided evidence that the SIFDT-MS technique can be implemented in a miniature and low-cost instrument and two- or three-dimensional data can be obtained (product ion count rates as functions of m/z, t and E/N) using the Hadamard transformation thus providing exciting possibilities for further analytical additions and extensions of the SIFT-MS technique. Copyright © 2015 John Wiley & Sons, Ltd.

The objective of this experimental study was to discover volatile metabolites present in exhaled breath that could be used as biomarkers of gastro-esophageal reflux disease, GERD, one of the most common causes of chronic cough. An in vitro model based on pork tissue samples exposed to a challenge by artificial gastric fluid was used to identify specific volatile compounds to be chosen for quantification in directly exhaled breath of GERD patients and controls using selected ion flow tube mass spectrometry, SIFT-MS. GC/MS analyses of the headspace of this in vitro model indicated that the only volatile compound significantly increased was acetic acid. End expiratory concentration of acetic acid measured by SIFT-MS in mouth exhaled breath of 22 GERD patients (median 85 ppbv) was found to be significantly higher than that in breath of a control group (median 48 ppbv). Breath acetic acid may be useful for non-invasive diagnostics of GERD and other conditions resulting in the lowering of pH of the lining of the airways.