Sliding Windows in Ion Mobility (SWIM): A New Approach to Increase the Resolving Power in Trapped Ion Mobility-Mass Spectrometry Hyphenated with Chromatography

Muller, Hugo B.; Scholl, Georges; Far, Johann; De Pauw, Edwin; Eppe, Gauthier

doi:10.1021/acs.analchem.3c03039

Cited by 2 publications

(1 citation statement)

References 63 publications

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“…Likewise, the Scatter plot in Figure S20 (b) shows the distribution of the molecular mass of the parent ion ( m/z ) and the retention time of each compound (dot and name). The red windows keep shifting through time towards higher m/z values in order to cover the compounds that will undergo fragmentation in a similar way that sliding windows are more selective in ion mobility [ 78 ]. However, the width of the windows was carefully selected to keep the lowest PRM events as possible in order to obtain enough data points to define the peaks for confirmation.…”

Section: Resultsmentioning

confidence: 99%

A green-footprint approach for parallel multiclass analysis of contaminants in roasted coffee via LC-HRMS

España Amórtegui,

Ekroth,

Pekar

et al. 2024

Anal Bioanal Chem

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The development and validation of a simple, comprehensive, and environment-friendly procedure to determine pesticide residues, naturally occurring and processing contaminants in roasted coffee is presented. A solid-liquid extraction of pesticides and mycotoxins with ethyl acetate and the concurrent partition of acrylamide to an aqueous phase follows a parallel analytical strategy that requires a single analytical portion to determine contaminants that are typically analyzed by dedicated single residue methods. The partition rules the lipids out of the aqueous extract before an “in-tube” dispersive solid phase microextraction (dSPME) for acrylamide retention. This is followed by the elution with buffer prior to injection. This extract is independently introduced into the system front end followed by the injection of the compounds from the organic phase, yet all spotted in the same run. A novel liquid chromatography high-resolution mass spectrometry (LC-HRMS) method setup enables the quantification of 186 compounds at 10 µg/kg, 226 at 5 µg/kg, and the acrylamide at 200 µg/kg for a total of 414 molecules, with acceptable recoveries (70–120%) and precision (RSD < 20%) making this strategy significantly faster and cost-effective than the dedicated single residue methods. Even though the presence of chlorpyrifos, acrylamide, and ochratoxin A was confirmed on samples of different origins, the findings were below the limit of quantification. During the storage of raw coffee, no proof of masking of OTA was found; however, condensation with glucose was evidenced during thermal processing experiments with sucrose by using stable isotope labeling (SIL). No detected conjugates were found in roasted nor in commercial sugar-added torrefacto samples, an industrial processing usually carried out above the decomposition temperature of the disaccharide. Graphical abstract

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Section: Resultsmentioning

confidence: 99%

A green-footprint approach for parallel multiclass analysis of contaminants in roasted coffee via LC-HRMS

España Amórtegui,

Ekroth,

Pekar

et al. 2024

Anal Bioanal Chem

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Trapped ion mobility spectrometry-guided molecular discrimination between plasmalogens and other ether lipids in lipidomics experiments

Koch,

Neumann,

Lackner

et al. 2024

Preprint

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Trapped Ion Mobility Spectrometry (TIMS) has demonstrated promissing potential as a powerful discriminating method when coupled with mass spectrometry, enhancing the precision of feature annotation. Such a technique is particularly valuable for lipids, where a large number of isobaric but structurally distinct molecular species often coexist within the same sample matrix. In this study we explored the potential of ion mobility for ether lipid isomer differentiation. Mammalian ether phospholipids are characterized by a fatty alcohol residue at the sn-1 position of their glycerol backbone. Ether lipids can make up to 20% of the total phospholipid mass. They are present in a broad range of tissues where they are for example crucial for nervous system function, membrane homeostasis and inter- as well as intracellular signaling. Molecular ether lipid species are difficult to distinguish analytically, as they occur as 1-O-alkyl and 1-O-alkenyl subclasses, with the latter being also known as plasmalogens. Isomeric ether lipid pairs can be separated with reversed-phase chromatography. However, their precise identification remains challenging due to the lack of clear internal reference points, inherent to the nature of lipid profiles and the lack of sufficient commercially available standard substances. Here, we demonstrate - with focus on phosphatidylethanolamines - that ion mobility measurements allow to discriminate between the ether lipid subclasses through distinct differences in their gas phase geometries. This approach offers significant advantages as it does not depend on the variability of chromatography. However, the current resolution in the ion mobility dimension is not sufficient to baseline separate 1-O-alkyl and 1-O-alkenyl isobars, and the observed differences are not yet accurately represented in existing collision cross section databases. Despite these challenges, the predictable properties of the ion mobility behavior of ether lipid species can significantly support their accurate annotation and hold promise for future advancements in lipid research.

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Sliding Windows in Ion Mobility (SWIM): A New Approach to Increase the Resolving Power in Trapped Ion Mobility-Mass Spectrometry Hyphenated with Chromatography

Cited by 2 publications

References 63 publications

A green-footprint approach for parallel multiclass analysis of contaminants in roasted coffee via LC-HRMS

A green-footprint approach for parallel multiclass analysis of contaminants in roasted coffee via LC-HRMS

Trapped ion mobility spectrometry-guided molecular discrimination between plasmalogens and other ether lipids in lipidomics experiments

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