Cross-Correlation Algorithm for Calculation of Peptide Molecular Weight from Tandem Mass Spectra

Cross-Correlation Algorithm for Calculation of Peptide Molecular Weight from Tandem Mass Spectra

We have developed an approach to identify the molecular weight of a peptide ion directly from its corresponding tandem mass spectrum using a cross-correlation function. We have shown that the monoisotopic molecular weight can be calculated for ∼90% of tandem mass spectra identified from tryptic dige...

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Veröffentlicht in:Analytical chemistry (Washington) 2006-03, Vol.78 (6), p.1921-1929
Hauptverfasser: Venable, John D, Xu, Tao, Cociorva, Daniel, Yates, John R
Format: Artikel
Sprache:eng
Schlagworte:
Algorithms
Analytical chemistry
Chemistry
Exact sciences and technology
Mass spectrometry
Molecular Weight
Peptides
Peptides - chemistry
Sensitivity and Specificity
Software
Spectrometric and optical methods
Tandem Mass Spectrometry - methods
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Zusammenfassung:We have developed an approach to identify the molecular weight of a peptide ion directly from its corresponding tandem mass spectrum using a cross-correlation function. We have shown that the monoisotopic molecular weight can be calculated for ∼90% of tandem mass spectra identified from tryptic digests of complex protein mixtures. The accuracy of the calculated monoisotopic masses was dependent on the resolution and mass accuracy of the spectra analyzed, but was typically
ISSN:0003-2700
1520-6882
DOI:10.1021/ac051636h