Simulating, Predicting, and Minimizing False Peaks for Hadamard Transform Ion Mobility Spectrometry.

Abstract

Multiplexing techniques, including the Hadamard transform, are widely used in the recovery of weak signals from high-level noise. Hadamard transform ion mobility spectrometry (HT-IMS), however, can suffer serious drawbacks due to false peaks. False peaks in HT-IMS are generally attributed to nonperfect gating behavior. This paper confirmed that the origin of false peaks in HT-IMS is not generally due to ion gating but rather to peak shifts by Coulombic repulsion of the ion packets inside the drift tube. The amplitudes of these false peaks are determined by the number of ions inside the ion packets. This phenomenon is simulated and confirmed by the convolution of the spectrum with a shifted s-sequence to reproduce the artifact peaks with the exact position, amplitude, and profile. Two approaches, including preoffset sequence modulation and post-data processing, were evaluated to mitigate the false peaks in HT-IMS, and both methods can work effectively.