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Title: Detecting and Removing Data Artifacts in Hadamard Transform Ion Mobility-Mass Spectrometry Measurements

Abstract

Applying Hadamard transform multiplexing to ion mobility separations (IMS) can significantly improve the signal-to-noise ratio and throughput for IMS coupled mass spectrometry (MS) measurements by increasing the ion utilization efficiency. However, it has been determined that both fluctuations in ion intensity as well as spatial shifts in the multiplexed data lower the signal-to-noise ratios and appear as noise in downstream processing of the data. To address this problem, we have developed a novel algorithm that discovers and eliminates data artifacts. The algorithm uses knowledge of the true signal peaks derived from the encoded data and allows for both artifacts and noise to be removed with high confidence, decreasing the likelihood of false identifications in subsequent data processing. The result is that IMS-MS can be applied to increase measurement sensitivity while avoiding artifacts that have previously limited its utility.

Authors:
 [1];  [1];  [1];  [1];  [2];  [1];  [1];  [1];  [1]
+ Show Author Affiliations
  1. Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Biological Sciences Division
  2. Washington State Univ., Pullman, WA (United States). Dept. of Chemistry
Publication Date:
Research Org.:
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL)
Sponsoring Org.:
USDOE Office of Science (SC), Biological and Environmental Research (BER)
OSTI Identifier:
1166861
Report Number(s):
PNNL-SA-100086
Journal ID: ISSN 1044-0305; 32707; 48135; 400412000
Grant/Contract Number:  
AC05-76RLO01830; R01ES022190; R21-CA12619-01; U24-CA-160019-01; 8 P41 GM103493-10; R21 GM103497
Resource Type:
Accepted Manuscript
Journal Name:
Journal of the American Society for Mass Spectrometry
Additional Journal Information:
Journal Volume: 25; Journal Issue: 12; Journal ID: ISSN 1044-0305
Publisher:
American Society for Mass Spectrometry
Country of Publication:
United States
Language:
English
Subject:
59 BASIC BIOLOGICAL SCIENCES; 97 MATHEMATICS AND COMPUTING; 47 OTHER INSTRUMENTATION; Ion mobility; Computational proteomics; Hadamard transform; Bioinformatics; Sensitivity; Data analysis

Citation Formats

Prost, Spencer A., Crowell, Kevin L., Baker, Erin Shammel, Ibrahim, Yehia M., Clowers, Brian H., Monroe, Matthew E., Anderson, Gordon A., Smith, Richard D., and Payne, Samuel H. Detecting and Removing Data Artifacts in Hadamard Transform Ion Mobility-Mass Spectrometry Measurements. United States: N. p., 2014. Web. doi:10.1007/s13361-014-0895-y.
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Prost, Spencer A., Crowell, Kevin L., Baker, Erin Shammel, Ibrahim, Yehia M., Clowers, Brian H., Monroe, Matthew E., Anderson, Gordon A., Smith, Richard D., & Payne, Samuel H. Detecting and Removing Data Artifacts in Hadamard Transform Ion Mobility-Mass Spectrometry Measurements. United States. https://doi.org/10.1007/s13361-014-0895-y
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Prost, Spencer A., Crowell, Kevin L., Baker, Erin Shammel, Ibrahim, Yehia M., Clowers, Brian H., Monroe, Matthew E., Anderson, Gordon A., Smith, Richard D., and Payne, Samuel H. Tue . "Detecting and Removing Data Artifacts in Hadamard Transform Ion Mobility-Mass Spectrometry Measurements". United States. https://doi.org/10.1007/s13361-014-0895-y. https://www.osti.gov/servlets/purl/1166861.
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@article{osti_1166861,
title = {Detecting and Removing Data Artifacts in Hadamard Transform Ion Mobility-Mass Spectrometry Measurements},
author = {Prost, Spencer A. and Crowell, Kevin L. and Baker, Erin Shammel and Ibrahim, Yehia M. and Clowers, Brian H. and Monroe, Matthew E. and Anderson, Gordon A. and Smith, Richard D. and Payne, Samuel H.},
abstractNote = {Applying Hadamard transform multiplexing to ion mobility separations (IMS) can significantly improve the signal-to-noise ratio and throughput for IMS coupled mass spectrometry (MS) measurements by increasing the ion utilization efficiency. However, it has been determined that both fluctuations in ion intensity as well as spatial shifts in the multiplexed data lower the signal-to-noise ratios and appear as noise in downstream processing of the data. To address this problem, we have developed a novel algorithm that discovers and eliminates data artifacts. The algorithm uses knowledge of the true signal peaks derived from the encoded data and allows for both artifacts and noise to be removed with high confidence, decreasing the likelihood of false identifications in subsequent data processing. The result is that IMS-MS can be applied to increase measurement sensitivity while avoiding artifacts that have previously limited its utility.},
doi = {10.1007/s13361-014-0895-y},
journal = {Journal of the American Society for Mass Spectrometry},
number = 12,
volume = 25,
place = {United States},
year = {Tue May 06 00:00:00 EDT 2014},
month = {Tue May 06 00:00:00 EDT 2014}
}
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Publisher's Version of Record
https://doi.org/10.1007/s13361-014-0895-y
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Works referenced in this record:

Masking, Photobleaching, and Spreading Effects in Hadamard Transform Imaging and Spectroscopy Systems
journal, March 2001

Hadamard Transform Time-of-Flight Mass Spectrometry
journal, September 1998

  • Brock, Ansgar; Rodriguez, Nestor; Zare, Richard N.
  • Analytical Chemistry, Vol. 70, Issue 18
  • DOI: 10.1021/ac9804036

Sources of Negative Peaks in Hadamard Transform/Fourier Transform Mass Spectrometry/Mass Spectrometry
journal, December 1996

Errors in Hadamard spectroscopy or imaging caused by imperfect masks
journal, January 1975

  • Tai, Ming Hing; Harwit, Martin; Sloane, Neil J. A.
  • Applied Optics, Vol. 14, Issue 11
  • DOI: 10.1364/AO.14.002678

Enhanced Ion Utilization Efficiency Using an Electrodynamic Ion Funnel Trap as an Injection Mechanism for Ion Mobility Spectrometry
journal, February 2008

  • Clowers, Brian H.; Ibrahim, Yehia M.; Prior, David C.
  • Analytical Chemistry, Vol. 80, Issue 3, p. 612-623
  • DOI: 10.1021/ac701648p

Pseudorandom Sequence Modifications for Ion Mobility Orthogonal Time-of-Flight Mass Spectrometry
journal, April 2008

  • Clowers, Brian H.; Belov, Mikhail E.; Prior, David C.
  • Analytical Chemistry, Vol. 80, Issue 7
  • DOI: 10.1021/ac7022712

Effects of modulation defects on hadamard transform time-of-flight mass spectrometry (HT-TOFMS)
journal, March 2003

  • Kimmel, Joel R.; Fernández, Facundo M.; Zare, Richard N.
  • Journal of the American Society for Mass Spectrometry, Vol. 14, Issue 3
  • DOI: 10.1016/S1044-0305(03)00006-0

Fast Hadamard Transform Capillary Electrophoresis for On-Line, Time-Resolved Chemical Monitoring
journal, March 2006

  • Braun, Kevin L.; Hapuarachchi, Suminda; Fernandez, Facundo M.
  • Analytical Chemistry, Vol. 78, Issue 5
  • DOI: 10.1021/ac051710w

Fellgett's Advantage in uv-VIS Multiplex Spectroscopy
journal, January 1976

Hadamard Transform Time-of-Flight Mass Spectrometry: More Signal, More of the Time
journal, January 2003

  • Zare, Richard N.; Fernández, Facundo M.; Kimmel, Joel R.
  • Angewandte Chemie International Edition, Vol. 42, Issue 1
  • DOI: 10.1002/anie.200390047

On the origin of spurious peaks in pseudorandom time‐of‐flight analysis
journal, June 1993

  • Zeppenfeld, Peter; Krzyzowski, Michael; Romainczyk, Christoph
  • Review of Scientific Instruments, Vol. 64, Issue 6
  • DOI: 10.1063/1.1144073

Multiplexed Ion Mobility Spectrometry-Orthogonal Time-of-Flight Mass Spectrometry
journal, March 2007

  • Belov, Mikhail E.; Buschbach, Michael A.; Prior, David C.
  • Analytical Chemistry, Vol. 79, Issue 6, p. 2451-2462
  • DOI: 10.1021/ac0617316

Digitally-Multiplexed Nanoelectrospray Ionization Atmospheric Pressure Drift Tube Ion Mobility Spectrometry
journal, January 2009

  • Kwasnik, Mark; Caramore, Joe; Fernández, Facundo M.
  • Analytical Chemistry, Vol. 81, Issue 4
  • DOI: 10.1021/ac802383k

Dynamically Multiplexed Ion Mobility Time-of-Flight Mass Spectrometry
journal, August 2008

  • Belov, Mikhail E.; Clowers, Brian H.; Prior, David C.
  • Analytical Chemistry, Vol. 80, Issue 15
  • DOI: 10.1021/ac8003665

Ion Funnel Trap Interface for Orthogonal Time-of-Flight Mass Spectrometry
journal, October 2007

  • Ibrahim, Yehia; Belov, Mikhail E.; Tolmachev, Aleksey V.
  • Analytical Chemistry, Vol. 79, Issue 20
  • DOI: 10.1021/ac071091m

Hadamard Transform Ion Mobility Spectrometry
journal, July 2006

  • Szumlas, Andrew W.; Ray, Steven J.; Hieftje, Gary M.
  • Analytical Chemistry, Vol. 78, Issue 13
  • DOI: 10.1021/ac051743b

On the Ultimate Sensitivity and Practical Performance of Radiation Detectors
journal, January 1949

Hadamard Transform Ion Mobility Spectrometry
journal, January 2006

  • Clowers, Brian H.; Siems, William F.; Hill, Herbert H.
  • Analytical Chemistry, Vol. 78, Issue 1
  • DOI: 10.1021/ac050615k

Effect of sequence length, sequence frequency, and data acquisition rate on the performance of a Hadamard transform time-of-flight mass spectrometer
journal, December 2001

  • Fernández, Facundo M.; Vadillo, José M.; Engelke, Friedrich
  • Journal of the American Society for Mass Spectrometry, Vol. 12, Issue 12
  • DOI: 10.1016/S1044-0305(01)00322-1

Peak Height Precision in Hadamard Transform Time-of-Flight Mass Spectra
journal, July 2005

  • Kimmel, Joel R.; Yoon, Oh Kyu; Zuleta, Ignacio A.
  • Journal of the American Society for Mass Spectrometry, Vol. 16, Issue 7
  • DOI: 10.1016/j.jasms.2005.02.022

Hadamard Transform Capillary Electrophoresis
journal, October 1999

  • Kaneta, Takashi; Yamaguchi, Yasuko; Imasaka, Totaro
  • Analytical Chemistry, Vol. 71, Issue 23
  • DOI: 10.1021/ac990625j

Peer Reviewed: Ion Mobility Spectrometers in National Defense
journal, November 2004

  • Eiceman, G. A.; Stone, J. A.
  • Analytical Chemistry, Vol. 76, Issue 21
  • DOI: 10.1021/ac041665c

Sources of Negative Peaks in Hadamard Transform/Fourier Transform Mass Spectrometry/Mass Spectrometry
journal, December 1996

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    Works referencing / citing this record:

    Lipid and Glycolipid Isomer Analyses Using Ultra-High Resolution Ion Mobility Spectrometry Separations
    journal, January 2017

    • Wojcik, Roza; Webb, Ian; Deng, Liulin
    • International Journal of Molecular Sciences, Vol. 18, Issue 1
    • DOI: 10.3390/ijms18010183

    Ion Mobility-Mass Spectrometry: Time-Dispersive Instrumentation
    journal, January 2015

    • May, Jody C.; McLean, John A.
    • Analytical Chemistry, Vol. 87, Issue 3
    • DOI: 10.1021/ac504720m

    Influence of multiplexing conditions on artefact signal and the signal-to-noise ratio in the decoded data in Hadamard transform ion mobility spectrometry
    journal, January 2020

    • Sarycheva, Anastasia; Adamov, Alexey; Poteshin, Sergey S.
    • European Journal of Mass Spectrometry, Vol. 26, Issue 3
    • DOI: 10.1177/1469066719900763

    Lipid and Glycolipid Isomer Analyses Using Ultra-High Resolution Ion Mobility Spectrometry Separations
    journal, January 2017

    • Wojcik, Roza; Webb, Ian; Deng, Liulin
    • International Journal of Molecular Sciences, Vol. 18, Issue 1
    • DOI: 10.3390/ijms18010183
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