Different reactivities of H3O+(H2O)n with unsaturated and saturated aldehydes: ligand-switching reactions govern the quantitative analytical sensitivity of SESI-MS
Patrik Španěl, Kseniya Dryahina, Maroua Omezzine Gnioua, David Smith
The detection sensitivity of secondary electrospray ionisation mass spectrometry (SESI-MS) is much lower for saturated aldehydes than for unsaturated aldehydes. This needs to be understood in terms of gas phase ion-molecule reaction kinetics and energetics to make SESI-MS analytically more quantitative.
Dataset for Non-invasive monitoring of microbiota and host metabolism using SESI-MS
Wetter Slack, Emma (ETH Zurich)
Dataset used in Non-invasive monitoring of microbiota and host metabolism using secondary electrospray ionization.
Analysis of triacetone triperoxide complexes with alkali metal ions by electrospray and extractive electrospray ionisation combined with ion mobility spectrometry and mass spectrometry
Alex R. Hill, Mark Edgar, Maria Chatzigeorgiou, James C. Reynolds, Paul F. Kelly* and Colin S. Creaser*
The complexation of triacetone triperoxide (TATP) with a range of alkali metals has been studied by electrospray ionisation mass spectrometry to yield [M + Cat]+ ions for all of the alkali metals. The formation of [2TATP + Li + LiX]+ (X = Br, Cl) sandwich complexes was also observed. Collision cross-sections for the lithium-containing complexes of TATP were measured by travelling wave ion mobility spectrometry mass spectrometry and compared well with computationally determined structures. Extractive electrospray ionisation (EESI) using a lithium-doped electrospray is demonstrated for the detection of TATP vapours desorbed from a metal surface. The limit of detection for EESI was shown to be 20 ng using the [TATP + Li]+ ion.
High throughput volatile fatty acid skin metabolite profiling by thermal desorption secondary electrospray ionisation mass spectrometry
Helen J. Martin,a James C. Reynolds,a Svetlana Riazanskaiab and C. L. Paul Thomas*a
The non-invasive nature of volatile organic compound (VOC) sampling from skin makes this a priority in the development of new screening and diagnostic assays. Evaluation of recent literature highlights the tension between the analytical utility of ambient ionisation approaches for skin profiling and the practicality of undertaking larger campaigns (higher statistical power), or undertaking research in remote locations. This study describes how VOC may be sampled from skin and recovered from a polydimethylsilicone sampling coupon and analysed by thermal desorption (TD) interfaced to secondary electrospray ionisation (SESI) time-of-flight mass spectrometry (MS) for the high throughput screening of volatile fatty acids (VFAs) from human skin…
Detection of Volatile Organic Compounds in Breath Using Thermal Desorption Electrospray Ionization-Ion Mobility-Mass Spectrometry
J. C. Reynolds,* G. J. Blackburn, C. Guallar-Hoyas, V. H. Moll, V. Bocos-Bintintan, G. Kaur-Atwal, M. D. Howdle, E. L. Harry, L. J. Brown, C. S. Creaser, and C. L. P. Thomas
A thermal desorption unit has been interfaced to an electrospray ionization-ion mobility-time-of-flight mass spectrometer. The interface was evaluated using a mixture of six model volatile organic compounds which showed detection limits of <1 ng sample loaded onto a thermal desorption tube packed with Tenax, equivalent to sampled concentrations of 4 μg L−1. Thermal desorption profiles were observed for all of the compounds, and ion mobility-mass spectrometry separations were used to resolve the probe compound responses from each other…