Analysis of MALDI FT-ICR mass spectrometry data: A time series approach

Donald A. Barkauskas, Scott R. Kronewitter, Carlito B Lebrilla, David M Rocke

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

Matrix-assisted laser desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry is a technique for high mass-resolution analysis of substances that is rapidly gaining popularity as an analytic tool. Extracting signal from the background noise, however, poses significant challenges. In this article, we model the noise part of a spectrum as an autoregressive, moving average (ARMA) time series with innovations given by a generalized gamma distribution with varying scale parameter but constant shape parameter and exponent. This enables us to classify peaks found in actual spectra as either noise or signal using a reasonable criterion that outperforms a standard threshold criterion.

Original languageEnglish (US)
Pages (from-to)207-214
Number of pages8
JournalAnalytica Chimica Acta
Volume648
Issue number2
DOIs
StatePublished - Aug 26 2009

Fingerprint

Cyclotron resonance
Matrix-Assisted Laser Desorption-Ionization Mass Spectrometry
Ionization
Mass spectrometry
Noise
Time series
Desorption
Mass Spectrometry
Fourier transforms
mass spectrometry
Innovation
time series
Ions
Lasers
Fourier transform
Cyclotrons
desorption
ionization
innovation
laser

Keywords

  • Fourier transform ion cyclotron resonance
  • Generalized gamma distribution
  • Matrix-assisted laser desorption/ionization

ASJC Scopus subject areas

  • Biochemistry
  • Analytical Chemistry
  • Spectroscopy
  • Environmental Chemistry

Cite this

Analysis of MALDI FT-ICR mass spectrometry data : A time series approach. / Barkauskas, Donald A.; Kronewitter, Scott R.; Lebrilla, Carlito B; Rocke, David M.

In: Analytica Chimica Acta, Vol. 648, No. 2, 26.08.2009, p. 207-214.

Research output: Contribution to journalArticle

Barkauskas, Donald A. ; Kronewitter, Scott R. ; Lebrilla, Carlito B ; Rocke, David M. / Analysis of MALDI FT-ICR mass spectrometry data : A time series approach. In: Analytica Chimica Acta. 2009 ; Vol. 648, No. 2. pp. 207-214.
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