Posters

Precision, Accuracy, and HRIM - University of Washington | ASMS 2022

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Precision, Accuracy, and High-Resolution Ion Mobility: Reflecting on Results from Analysis of Lipids

Author(s)

Alice Martynova PhD - University of Washington

Abstract

Lipids behave fundamintally different from HFAP in terms of calibration,which may have to do with them being more mobile. Using a SLIM-based instrument with a 13-meter serpentine path, we acquired data for cations of hexakis phosphazenes (HFAP), phosphatidylcholines (PC lipids), phosphatidylethanolamine (PE lipids), and L-α-lysophosphatidylethanolamines (LysoPEs), and then evaluated the quality of separations using various traveling wave conditions. Experimental arrival times were related to previously reported CCS values usin various traveling wave conditions. Experimental arrival times were related to previously reported CCS values using polynomial and shifted exponential functions. The qualities of those correlations were evaluated between molecules of the same and different classes.

Customer Intro
Problem
Solution
Conclusions
Abstract
  • RMSD values for lipids analyzed with trinomial and shifted exponential functions show that trinomial may perform better. However, since trinomial function has one additional parameter, this may be due to the overfitting of the data, as the function does not model the behavior  well in between data points. This must be investigated further.
  • Different calibrants have different errors associated with particular separation conditions. When optimizing traveling wave conditions, one must consider each individual calibrant separately.
  • Using shifted exponentials, RMSD is limited by the precision of  literature values for calibrants. Revision of Ω values may reduce the associated errors 5-fold!
  • When choosing a calibrant for a particular analyte, we recommend selecting calibrant of the same or similar class of molecules, in order to minimize the error associated with determination of traveling waves.
  • Precision error is estimated to be generally below 500 ppm
Results
Precision, Accuracy, and HRIM - University of Washington | ASMS 2022

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