ArticleJournal of the American Society for Mass Spectrometry2006
Algorithms for automatic interpretation of high resolution mass spectra.
Article in Journal of the American Society for Mass Spectrometry, 2006. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 29 papers.
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Who cites it
29 citing papers in PubMed.
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- Biofunctionalized dissolvable hydrogel microbeads enable efficient characterization of native protein complexes.Nature communications · 2024Article
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- Artificial intelligence in microbial natural product drug discovery: current and emerging role.Natural product reports · 2022Review
- Stochasticity of poly(2-oxazoline) oligomer hydrolysis determined by tandem mass spectrometry.Polymer chemistry · 2022Article
- Internal Fragments Generated by Electron Ionization Dissociation Enhance Protein Top-Down Mass Spectrometry.Journal of the American Society for Mass Spectrometry · 2020Article
- Application of network smoothing to glycan LC-MS profiling.Bioinformatics (Oxford, England) · 2018Article
- Software for Peak Finding and Elemental Composition Assignment for Glycosaminoglycan Tandem Mass Spectra.Molecular & cellular proteomics : MCP · 2018Article
- Integrated Omics and Computational Glycobiology Reveal Structural Basis for Influenza A Virus Glycan Microheterogeneity and Host Interactions.Molecular & cellular proteomics : MCP · 2016Article
- Extensive Charge Reduction and Dissociation of Intact Protein Complexes Following Electron Transfer on a Quadrupole-Ion Mobility-Time-of-Flight MS.Journal of the American Society for Mass Spectrometry · 2015Article
- Article
- Boundaries of mass resolution in native mass spectrometry.Journal of the American Society for Mass Spectrometry · 2014Article
- Isotope pattern deconvolution for peptide mass spectrometry by non-negative least squares/least absolute deviation template matching.BMC bioinformatics · 2012Article
- Design and application of a data-independent precursor and product ion repository.Journal of the American Society for Mass Spectrometry · 2012Article
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- Identification of peptide features in precursor spectra using Hardklör and Krönik.Current protocols in bioinformatics · 2012Article
- SVM model for quality assessment of medium resolution mass spectra from 18O-water labeling experiments.Journal of proteome research · 2011Article
- Features-based deisotoping method for tandem mass spectra.Advances in bioinformatics · 2011Article
Corrections and comments
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Authors and funding
2 authors.
Funding
Abstract
Automated interpretation of high-resolution mass spectra in a reliable and efficient manner represents a highly challenging computational problem. This work aims at developing methods for reducing a high-resolution mass spectrum into its monoisotopic peak list, and automatically assigning observed masses to known fragment ion masses if the protein sequence is available. The methods are compiled into a suite of data reduction algorithms which is called MasSPIKE (Mass Spectrum Interpretation and Kernel Extraction). MasSPIKE includes modules for modeling noise across the spectrum, isotopic cluster identification, charge state determination, separation of overlapping isotopic distributions, picking isotopic peaks, aligning experimental and theoretical isotopic distributions for estimating a monoisotopic peak's location, generating the monoisotopic mass list, and assigning the observed monoisotopic masses to possible protein fragments. The method is tested against a complex top-down spectrum of bovine carbonic anhydrase. Results of each of the individual modules are compared with previously published work.
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