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

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.
 [1] ;  [1] ;  [1] ;  [1] ;  [2] ;  [1] ;  [1] ;  [1] ;  [1]
  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:
OSTI Identifier:
Report Number(s):
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
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
American Society for Mass Spectrometry
Research Org:
Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
Sponsoring Org:
USDOE Office of Science (SC), Biological and Environmental Research (BER) (SC-23)
Country of Publication:
United States
59 BASIC BIOLOGICAL SCIENCES; 97 MATHEMATICS AND COMPUTING; 47 OTHER INSTRUMENTATION Ion mobility; Computational proteomics; Hadamard transform; Bioinformatics; Sensitivity; Data analysis