3 research outputs found
Recommendations for reporting ion mobility mass spectrometry measurements
© 2019 The Authors. Mass Spectrometry Reviews Published by Wiley Periodicals, Inc. Here we present a guide to ion mobility mass spectrometry experiments, which covers both linear and nonlinear methods: what is measured, how the measurements are done, and how to report the results, including the uncertainties of mobility and collision cross section values. The guide aims to clarify some possibly confusing concepts, and the reporting recommendations should help researchers, authors and reviewers to contribute comprehensive reports, so that the ion mobility data can be reused more confidently. Starting from the concept of the definition of the measurand, we emphasize that (i) mobility values (K0) depend intrinsically on ion structure, the nature of the bath gas, temperature, and E/N; (ii) ion mobility does not measure molecular surfaces directly, but collision cross section (CCS) values are derived from mobility values using a physical model; (iii) methods relying on calibration are empirical (and thus may provide method-dependent results) only if the gas nature, temperature or E/N cannot match those of the primary method. Our analysis highlights the urgency of a community effort toward establishing primary standards and reference materials for ion mobility, and provides recommendations to do so. © 2019 The Authors. Mass Spectrometry Reviews Published by Wiley Periodicals, Inc
The Use of Ion Mobility Mass Spectrometry for Isomer Composition Determination Extracted from Se-Rich Yeast
The isomer ratio determination of
a selenium-containing metabolite
produced by Se-rich yeast was performed. Electrospray ionization and
ion mobility mass spectrometry (IM-MS) were unsuccessfully used in
order to resolve the isomers according to their collisional cross
section (CCS) difference. The isomer ratio determination of 2,3-dihydroxypropionylselenocystathionine
was performed after multidimensional liquid chromatography preconcentration
from a water extract of Se-rich yeast using preparative size exclusion,
anion exchange, and capillary reverse phase columns coupled to IM-MS.
4′-nitrobenzo-15-crown-5 ether, a selective shift reagent (SSR),
was added after the last chromatographic dimension in order to specifically
increase the CCS of one of the isomers by the formation of a stable
host–guest system with the crown ether. Both isomers were consequently
fully resolved by IM-MS, and the relative ratio of the isomers was
determined to be 11–13% and 87–89%. The present data
compared favorably with the literature to support the analytical strategy
despite the lack of an authentic standard for method validation. In
addition, computational chemistry methods were successfully applied
to design the SSR and to support the experimental data
The Use of Ion Mobility Mass Spectrometry for Isomer Composition Determination Extracted from Se-Rich Yeast
The isomer ratio determination of
a selenium-containing metabolite
produced by Se-rich yeast was performed. Electrospray ionization and
ion mobility mass spectrometry (IM-MS) were unsuccessfully used in
order to resolve the isomers according to their collisional cross
section (CCS) difference. The isomer ratio determination of 2,3-dihydroxypropionylselenocystathionine
was performed after multidimensional liquid chromatography preconcentration
from a water extract of Se-rich yeast using preparative size exclusion,
anion exchange, and capillary reverse phase columns coupled to IM-MS.
4′-nitrobenzo-15-crown-5 ether, a selective shift reagent (SSR),
was added after the last chromatographic dimension in order to specifically
increase the CCS of one of the isomers by the formation of a stable
host–guest system with the crown ether. Both isomers were consequently
fully resolved by IM-MS, and the relative ratio of the isomers was
determined to be 11–13% and 87–89%. The present data
compared favorably with the literature to support the analytical strategy
despite the lack of an authentic standard for method validation. In
addition, computational chemistry methods were successfully applied
to design the SSR and to support the experimental data