A new scoring function for top-down spectral deconvolution

Kou, Qiang; Wu, Si; Liu, Xiaowen

doi:10.1186/1471-2164-15-1140

A new scoring function for top-down spectral deconvolution

Journal Article · Wed Dec 17 23:00:00 EST 2014 · BMC Genomics

DOI:https://doi.org/10.1186/1471-2164-15-1140· OSTI ID:1207277

Kou, Qiang ^[1]; Wu, Si ^[2]; Liu, Xiaowen ^[3]

Indiana Univ.-Purdue Univ. Indianapolis, Indianapolis, IN (United States)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Indiana Univ. School of Medicine, Indianapolis, IN (United States)

Background: Top-down mass spectrometry plays an important role in intact protein identification and characterization. Top-down mass spectra are more complex than bottom-up mass spectra because they often contain many isotopomer envelopes from highly charged ions, which may overlap with one another. As a result, spectral deconvolution, which converts a complex top-down mass spectrum into a monoisotopic mass list, is a key step in top-down spectral interpretation. Results: In this paper, we propose a new scoring function, L-score, for evaluating isotopomer envelopes. By combining L-score with MS-Deconv, a new software tool, MS-Deconv+, was developed for top-down spectral deconvolution. Experimental results showed that MS-Deconv+ outperformed existing software tools in top-down spectral deconvolution. Conclusions: L-score shows high discriminative ability in identification of isotopomer envelopes. Using L-score, MS-Deconv+ reports many correct monoisotopic masses missed by other software tools, which are valuable for proteoform identification and characterization.

View Accepted Manuscript (DOE)

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

Sponsoring Organization:: USDOE Office of Science (SC), Biological and Environmental Research (BER) (SC-23)

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 1207277

Journal Information:: BMC Genomics, Journal Name: BMC Genomics Journal Issue: 1 Vol. 15; ISSN 1471-2164

Publisher:: SpringerCopyright Statement

Country of Publication:: United States

Language:: English

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Approximating Isotope Distributions of Biomolecule Fragments Goldfarb, Dennis; Lafferty, Michael J.; Herring, Laura E. ACS Omega, Vol. 3, Issue 9 https://doi.org/10.1021/acsomega.8b01649	journal	September 2018
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