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J Am Soc Mass Spectrom. 2012 Dec;23(12):2075-82. doi: 10.1007/s13361-012-0482-z. Epub 2012 Sep 25.

De novo correction of mass measurement error in low resolution tandem MS spectra for shotgun proteomics.

Author information

1
Department of Genome Sciences, University of Washington, Seattle, WA 98195, USA.

Abstract

We report an algorithm designed for the calibration of low resolution peptide mass spectra. Our algorithm is implemented in a program called FineTune, which corrects systematic mass measurement error in 1 min, with no input required besides the mass spectra themselves. The mass measurement accuracy for a set of spectra collected on an LTQ-Velos improved 20-fold from -0.1776 ± 0.0010 m/z to 0.0078 ± 0.0006 m/z after calibration (avg ± 95 % confidence interval). The precision in mass measurement was improved due to the correction of non-linear variation in mass measurement accuracy across the m/z range.

PMID:
23007965
PMCID:
PMC3515694
DOI:
10.1007/s13361-012-0482-z
[Indexed for MEDLINE]
Free PMC Article

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