Toward artifact-free data in Hadamard transform-based double multiplexing of ion mobility-Orbitrap mass spectrometry

Tummalacherla, Meghasyam; Garimella, Sandilya V.  B.; Prost, Spencer A.; Ibrahim, Yehia M.

doi:10.1039/C7AN00289K

Toward artifact-free data in Hadamard transform-based double multiplexing of ion mobility-Orbitrap mass spectrometry

Journal Article · Sun Jan 01 04:00:00 EST 2017 · Analyst

DOI:https://doi.org/10.1039/C7AN00289K· OSTI ID:1372002

; ; Prost, Spencer A.;

The integration of ion mobility spectrometry (IMS) with trap-based mass spectrometer (MS) such as Orbitrap using the dual gate approach suffers from low duty cycle. Efforts to improve the duty cycle involve the utilization of Hadamard transform based double multiplexing which significantly improve the signal to noise ratio and duty cycle of the ion mobility – Orbitrap mass spectrometry (IM – Orbitrap MS) platform. However, significant fluctuations in ion intensity and the temporal shifts in the encoded data give rise to artifacts and noise in the demultiplexed data which significantly reduce the data quality and negate the benefits of multiplexing. We propose a new approach that identifies the true IM peaks and helps in eliminating the artifacts in the demultiplexed data leading to a decrease in false positives in subsequent data processing. The algorithm takes an analytical approach to first identify the position of the IM peak in the temporal domain, and then demultiplex and identify the true data making it easier for subsequent data processing. After the application of the algorithm, the quality of the IM-Orbitrap MS measurements was greatly improved because of the reduction in artifacts.

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

Sponsoring Organization:: USDOE

DOE Contract Number:: AC05-76RL01830

OSTI ID:: 1372002

Report Number(s):: PNNL-SA-123964

Journal Information:: Analyst, Journal Name: Analyst Journal Issue: 10 Vol. 142; ISSN ANALAO; ISSN 0003-2654

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

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