Tandem-trapped ion mobility spectrometry/mass spectrometry (<i>t</i>TIMS/MS): a promising analytical method for investigating heterogenous samples

Liu, Fanny C.; Ridgeway, Mark E.; Park, Melvin A.; Bleiholder, Christian

doi:10.1039/d2an00335j

Cited by 19 publications

(23 citation statements)

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“…17 Because MS is insensitive to cluster geometry, supplementary characterization by ion mobility spectrometry (IMS) is often used in tandem with MS to provide information about the cluster's geometric configuration. 25,[29][30][31][32][33] Thus, researchers can interrogate mass-selected microsolvated species to monitor the evolution of an analyte's geometric structure as it is sequentially solvated.…”

Section: Introductionmentioning

confidence: 99%

The hitchhiker's guide to dynamic ion–solvent clustering: applications in differential ion mobility spectrometry

Ieritano

Hopkins

2022

Phys. Chem. Chem. Phys.

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Section: Introductionmentioning

confidence: 99%

The hitchhiker's guide to dynamic ion–solvent clustering: applications in differential ion mobility spectrometry

Ieritano

Hopkins

2022

Phys. Chem. Chem. Phys.

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“…The coaxial tTIMS/MS instrument used here offers TIMS 2 –MS 2 workflows − that can be used to characterize carbohydrate structures (Figure ). To this end, carbohydrates from a mixture of carbohydrates are first mobility-separated in TIMS-1 and their cross sections are recorded.…”

Section: Instrumental and Experimental Detailsmentioning

confidence: 99%

“…To this end, carbohydrates from a mixture of carbohydrates are first mobility-separated in TIMS-1 and their cross sections are recorded. Subsequently, ions eluting from TIMS-1 can be mobility-selected (Figure S2, Supporting Information) between aperture-1 (L1) and aperture-2 (L2) and subjected to collisional-induced dissociation (CID) by applying an activating voltage between aperture-2 (L2) and deflector-2. − The fragment ions are subsequently mobility-analyzed in TIMS-2. Finally, the fragment ions eluting from TIMS-2 can be m / z -selected and collisionally dissociated in the quadrupole/collision cell of the QqTOF mass spectrometer, − thereby enabling TIMS 2 –MS 2 measurements with two sequential ion selection and dissociation stages.…”

Section: Instrumental and Experimental Detailsmentioning

confidence: 99%

“…Hence, here, we discuss the ability to identify nonseparated carbohydrates from their mixture using our tandem-trapped ion mobility spectrometer/mass spectrometer (tTIMS/MS). − As a test system, we chose a mixture of the three isomeric trisaccharides maltotriose, raffinose, and melezitose, which are structural isomers composed of isomeric monosaccharides (galactose, glucose, and fructose). The separation of lithiated raffinose and maltotriose requires IMS resolving powers greater than ∼400, which renders them nonseparable using current IMS/MS methods.…”

mentioning

confidence: 99%

“…The separation of lithiated raffinose and maltotriose requires IMS resolving powers greater than ∼400, which renders them nonseparable using current IMS/MS methods. Hence, a mixture of these carbohydrates is well-suited to test the analytical utility of TIMS 2 –MS 2 measurements − to characterize nonseparable, isomeric carbohydrates.…”

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confidence: 99%

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Differentiation of Isomeric, Nonseparable Carbohydrates Using Tandem-Trapped Ion Mobility Spectrometry–Mass Spectrometry

2022

Self Cite

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Carbohydrates play important roles in biological processes, but their identification remains a significant analytical problem. While mass spectrometry has increasingly enabled the elucidation of carbohydrates, current approaches are limited in their abilities to differentiate isomeric carbohydrates when these are not separated prior to tandem−mass spectrometry analysis. This analytical challenge takes on increased relevance because of the pervasive presence of isomeric carbohydrates in biological systems. Here, we demonstrate that TIMS 2 −MS 2 workflows enabled by tandem-trapped ion mobility spectrometry−mass spectrometry (tTIMS/MS) provide a general approach to differentiate isomeric, nonseparated carbohydrates. Our analysis shows that (1) cross sections measured by TIMS are sufficiently precise and robust for ion identification; (2) fragment ion cross sections from TIMS 2 analysis can be analytically exploited to identify carbohydrate precursors even if the precursor ions are not separated by TIMS; (3) low-abundant fragment ions can be exploited to identify carbohydrate precursors even if the precursor ions are not separated by IMS. (4) MS 2 analysis of fragment ions produced by TIMS 2 can be used to validate and/or further characterize carbohydrate structures. Taken together, our analysis underlines the opportunities that tandem-ion mobility spectrometry/MS methods offer for the characterization of mixtures of isomeric carbohydrates.

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Computational tools and algorithms for ion mobility spectrometry‐mass spectrometry

Ross,

Bhotika,

Zheng

et al. 2024

Proteomics

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Ion mobility spectrometry‐mass spectrometry (IMS‐MS or IM‐MS) is a powerful analytical technique that combines the gas‐phase separation capabilities of IM with the identification and quantification capabilities of MS. IM‐MS can differentiate molecules with indistinguishable masses but different structures (e.g., isomers, isobars, molecular classes, and contaminant ions). The importance of this analytical technique is reflected by a staged increase in the number of applications for molecular characterization across a variety of fields, from different MS‐based omics (proteomics, metabolomics, lipidomics, etc.) to the structural characterization of glycans, organic matter, proteins, and macromolecular complexes. With the increasing application of IM‐MS there is a pressing need for effective and accessible computational tools. This article presents an overview of the most recent free and open‐source software tools specifically tailored for the analysis and interpretation of data derived from IM‐MS instrumentation. This review enumerates these tools and outlines their main algorithmic approaches, while highlighting representative applications across different fields. Finally, a discussion of current limitations and expectable improvements is presented.

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Tandem-trapped ion mobility spectrometry/mass spectrometry (tTIMS/MS): a promising analytical method for investigating heterogenous samples

Abstract: Ion mobility spectrometry/mass spectrometry (IMS/MS) is widely used to study various levels of protein structure. Here, we review the current state of affairs in tandem-trapped ion mobility spectrometry/mass spectrometry (tTIMS/MS)....

Cited by 19 publications

References 151 publications

The hitchhiker's guide to dynamic ion–solvent clustering: applications in differential ion mobility spectrometry

The hitchhiker's guide to dynamic ion–solvent clustering: applications in differential ion mobility spectrometry

Differentiation of Isomeric, Nonseparable Carbohydrates Using Tandem-Trapped Ion Mobility Spectrometry–Mass Spectrometry

Computational tools and algorithms for ion mobility spectrometry‐mass spectrometry

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