Rapid Communications in Mass Spectrometry · 2008 · 52 citations · 22 references
PharmacyBiochemistryChemistryAnalytical ChemistryMass Spectrometric AnalysisSpectroscopic AnalysisMass AnalyzersMass SpectrometryMass Spectrometry Data AnalysisPeptide AnalysisStable Isotope AnalysisIsotope Pattern AnalysisIsotopic Pattern FittingMass Spectral DeconvolutionMass Spectrometric IdentificationMass Spectrometric Isotope AnalysisPolynomial ExpansionProduct Ion AnalysisTandem Mass Spectrometry Analysis
Software, available at no cost on the Internet, is described which uses polynomial expansion algorithms to calculate the isotope patterns for precursor ion, neutral loss, and MSn product ion tandem mass spectra. Such information is useful for determining product ion and neutral loss composition, identification of analytes in complex samples, deconvolution of overlapping spectra, and correction of peak heights or areas in quantitative analysis. The effect of less than unit mass resolution on the isotope patterns is described and experimental examples of the use of the software are presented.
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Atomic weights of the elements. Review 2000 (IUPAC Technical Report)
J.R. De Laeter, J. K. Böhlke, Paul De Bièvre et al. · Pure and Applied Chemistry · 2003 · 1K citations · Full text
Software Tools for Analysis of Mass Spectrometric Lipidome Data
Perttu Haimi, Andreas Uphoff, Martin Hermansson et al. · Analytical Chemistry · 2006 · 228 citations