Assessing Collision Cross Section Calibration Strategies for Traveling Wave-Based Ion Mobility Separations in Structures for Lossless Ion Manipulations

Li, Ailin; Conant, Christopher R.; Zheng, Xueyun; Bloodsworth, Kent J.; Orton, Daniel J.; Garimella, Sandilya V.B.; Attah, Isaac K.; Nagy, Gabe; Smith, Richard D.; Ibrahim, Yehia M.

doi:10.1021/acs.analchem.0c02829

Assessing Collision Cross Section Calibration Strategies for Traveling Wave-Based Ion Mobility Separations in Structures for Lossless Ion Manipulations

Journal Article · Mon Nov 02 00:00:00 EST 2020 · Analytical Chemistry

DOI:https://doi.org/10.1021/acs.analchem.0c02829· OSTI ID:1734632

Li, Ailin ^[1]; Conant, Christopher R. ^[1]; ^[1]; ^[1]; ^[1]; ^[1]; Attah, Isaac K. ^[1]; ^[1]; ^[1]; ^[1]

Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

The collision cross section (CCS) is an important property that aids in the structural characterization of molecules. Here, we investigated the CCS calibration accuracy with traveling waves ion mobility spectrometry (TWIMS) separations in structures for lossless ion manipulations (SLIM) using three sets of calibrants. A series of singly negatively-charged phospholipids and bile acids were calibrated in nitrogen buffer gas using two different TW waveform profiles (square and sine) and amplitudes (20 V0-p, 25 V0-p, and 30 V_0-p). The calibration errors for the three calibrant sets Agilent tuning mixture and polyalanine, and one assembled in-house showed negligible differences using a sine-shaped TW waveform. Furthermore, calibration errors were all within 1-2 % of the DTIMS measurements, with lower errors for sine waveforms, presumably due to the lower average and maximum fields experienced by ions. Finally, ultrahigh resolution multi-pass (long path length) SLIM TWIMS demonstrated improved CCS calibration for phospholipid and bile acid isomers.

View Accepted Manuscript (DOE)

Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: National Institutes of Health (NIH); USDOE

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 1734632

Report Number(s):: PNNL-SA--154112

Journal Information:: Analytical Chemistry, Journal Name: Analytical Chemistry Journal Issue: 22 Vol. 92; ISSN 0003-2700

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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