High Resolution Trapped Ion Mobility Spectrometery of Peptides

Silveira, Joshua A.; Ridgeway, Mark E.; Park, Melvin A.

doi:10.1021/ac501261h

Cited by 184 publications

(184 citation statements)

References 42 publications

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“…The principles and operation of TIMS have been extensively described in previous studies [5,23,24]. Briefly, in conventional IMS devices, ions travel through a drift tube driven by an electric field, and collide with stationary gas molecules.…”

Section: Tims Operational Modementioning

confidence: 99%

“…Additional structural identification often is achieved by hyphenating IMS to (high-resolution) mass spectrometric (MS) detection. The past twenty years has seen rapid development of new IMS devices, in which a considerable improvement, especially in resolving power, was achieved [4][5][6][7]. Still, separation of structural isomers with IMS can be quite challenging.…”

Section: Introductionmentioning

confidence: 99%

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Adduct-ion formation in trapped ion mobility spectrometry as a potential tool for studying molecular structures and conformations

Zietek

Mengerink

Jordens

et al. 2017

Int. J. Ion Mobil. Spec.

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Recent developments in the field of ion mobility spectrometry provide new possibilities to explore and understand gas-phase ion chemistry. In this study, hyphenated trapped ion mobility spectrometry-mass spectrometry (TIMS-MS) was applied to investigate analyte ion mobility as function of adduct ion formation for twelve pharmaceutically relevant molecules, and for tetrahydrocannabinol (THC) and its isomer cannabidiol (CBD). Samples were introduced by direct infusion and ions were generated with positive electrospray ionization (ESI+) observing protonated and sodiated ions. Measurements were performed with and without addition of cesium-, lithium-, silver-and sodium ions to the samples. For the tested compounds, metal adduct ions with the same m/z but with different mobility and collision cross section (CCSs) were observed, indicating different molecular conformations. Formation of analyte dimers was also observed, which could be associated with molecular geometry of the compounds. By optimizing the range and speed of the electric field gradient and ramp, respectively, the separation of THC and CBD was achieved by employing the adduct formation. This study demonstrates that the favorable resolution of TIMS combined with the ability to detect weakly bound counter ions is a valuable means for rapid detection, separation and structural assignment of molecular isomers and analyte conformations.

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Section: Tims Operational Modementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Adduct-ion formation in trapped ion mobility spectrometry as a potential tool for studying molecular structures and conformations

Zietek

Mengerink

Jordens

et al. 2017

Int. J. Ion Mobil. Spec.

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“…Extrapolation of the experimental data contained in Figure 5b indicates a resolving power of 300 could be achieved for singly charged ions. Given that resolving powers betweeñ 250 and 300 have already been experimentally attained for peptide and protein ions with the existing TIMS apparatus [46,47], it seems reasonable to expect even better performance for multiply charged ions, such as those encountered in proteomics applications [49].…”

Section: Drag Forcementioning

confidence: 99%

“…Experimentally, TIMS resolving powers have exceeded 200 for singly charged ions [42,43] and approached 300 for multiply charged ions [46,47]. Previous experimental measurements have confirmed the dependence of resolving power on β and K; however, the dependence of resolving power on flow parameters has not yet been fully explored [43].…”

Section: Introductionmentioning

confidence: 99%

Fundamentals of Trapped Ion Mobility Spectrometry Part II: Fluid Dynamics

Silveira

Michelmann

Ridgeway

et al. 2016

J. Am. Soc. Mass Spectrom.

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Abstract. Trapped ion mobility spectrometry (TIMS) is a new high resolution (R up tõ 300) separation technique that utilizes an electric field to hold ions stationary against a moving gas. Recently, an analytical model for TIMS was derived and, in part, experimentally verified. A central, but not yet fully explored, component of the model involves the fluid dynamics at work. The present study characterizes the fluid dynamics in TIMS using simulations and ion mobility experiments. Results indicate that subsonic laminar flow develops in the analyzer, with pressure-dependent gas velocities between~120 and 170 m/s measured at the position of ion elution. One of the key philosophical questions addressed is: how can mobility be measured in a dynamic system wherein the gas is expanding and its velocity is changing? We noted previously that the analytically useful work is primarily done on ions as they traverse the electric field gradient plateau in the analyzer. In the present work, we show that the position-dependent change in gas velocity on the plateau is balanced by a change in pressure and temperature, ultimately resulting in near positionindependent drag force. That the drag force, and related variables, are nearly constant allows for the use of relatively simple equations to describe TIMS behavior. Nonetheless, we derive a more comprehensive model, which accounts for the spatial dependence of the flow variables. Experimental resolving power trends were found to be in close agreement with the theoretical dependence of the drag force, thus validating another principal component of TIMS theory.

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“…Since the introduction of TIMS-MS in 2011 [4,5], my group at Florida International University [1-3, 6, 8, 11, 14-17] and others [7,9,10,12,13,18], [19,20] has shown the potential of TIMS-MS for fast, gas-phase separation and for molecular structural elucidation. Different from other IMS variants, TIMS enables the interrogation and manipulation of mobility separated ion populations in the gas-phase, with high resolving power in millisecond-second time-scales, and with the possibility to measure CCS using first principles that can be further utilized for structural assignments.…”

mentioning

confidence: 99%

Trapped Ion Mobility Spectrometry: past, present and future trends

Fernandez-Lima

2016

Int. J. Ion Mobil. Spec.

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Five years after the first publication on Trapped Ion Mobility Spectrometry entitled BGas-phase separation using a trapped ion mobility spectrometer^on this journal [4], we celebrate the recent developments on TIMS technology with this special issue. This issue features an example of the high mobility resolving power of TIMS (up to 400); TIMS potential for the analysis of high molecular weight biomolecules and biomolecular complexes; the use of nonlinear scan functions for targeted high resolution TIMS; and gated TIMS coupled to ultrahigh resolution FT-ICR MS analyzers.First TIMS spectrum (left) of TuningMix sample obtained in a prototype TIMS analyzer coupled to a Bruker micro q-TOF (center top) and first isobaric separation (right) of and 3-methoxymorphinan and dextrophan (m/z 258.2) and tetracaine and mainserine (m/z 265.2). In the picture, from left to right, Dr. First TIMS spectrum (left) of TuningMix sample obtained in a prototype TIMS analyzer coupled to a Bruker micro q-TOF (center top) and first isobaric separation (right) of and 3-methoxymorphinan and dextrophan (m/z 258.2) and tetracaine and mainserine (m/z 265.2). In the picture, from left to right, Dr.

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High Resolution Trapped Ion Mobility Spectrometery of Peptides

Cited by 184 publications

References 42 publications

Adduct-ion formation in trapped ion mobility spectrometry as a potential tool for studying molecular structures and conformations

Adduct-ion formation in trapped ion mobility spectrometry as a potential tool for studying molecular structures and conformations

Fundamentals of Trapped Ion Mobility Spectrometry Part II: Fluid Dynamics

Trapped Ion Mobility Spectrometry: past, present and future trends

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