Literature DB >> 16458531

Efficient calculation of accurate masses of isotopic peaks.

Alan L Rockwood1, Perttu Haimi.   

Abstract

This paper presents a new method for calculating accurate masses of isotopic peaks. It is based on breaking the calculation into a binary series of calculations. The molecule is built up by a series of such calculations. At each step the accurate masses are calculated as a probability weighted sum of the masses of the contributing peaks. The method is computationally efficient and accurate for both mass and relative abundance.

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Year:  2006        PMID： 16458531     DOI： 10.1016/j.jasms.2005.12.001

Source DB:  PubMed          Journal:  J Am Soc Mass Spectrom        ISSN： 1044-0305            Impact factor:   3.109


  4 in total

1.  Dissociation of individual isotopic peaks: predicting isotopic distributions of product ions in MSn.

Authors:  Alan L Rockwood; Mark M Kushnir; Gordon J Nelson
Journal:  J Am Soc Mass Spectrom       Date:  2003-04       Impact factor: 3.109

2.  Isotopic compositions and accurate masses of single isotopic peaks.

Authors:  Alan L Rockwood; Jordan R Van Orman; David V Dearden
Journal:  J Am Soc Mass Spectrom       Date:  2004-01       Impact factor: 3.109

3.  Reduction of chemical formulas from the isotopic peak distributions of high-resolution mass spectra.

Authors:  Stilianos G Roussis; Richard Proulx
Journal:  Anal Chem       Date:  2003-03-15       Impact factor: 6.986

4.  Ultrahigh-speed calculation of isotope distributions.

Authors:  A L Rockwood; S L Van Orden
Journal:  Anal Chem       Date:  1996-07-01       Impact factor: 6.986
  4 in total
  35 in total

1.  An efficient method to calculate the aggregated isotopic distribution and exact center-masses.

Authors:  Jürgen Claesen; Piotr Dittwald; Tomasz Burzykowski; Dirk Valkenborg
Journal:  J Am Soc Mass Spectrom       Date:  2012-02-15       Impact factor: 3.109

2.  Comment on: "An efficient method to calculate the aggregated isotopic distribution and exact center-masses" by Jürgen Claesen, Piotr Dittwald, Tomasz Burzykowski, Dirk Valkenborg, J. Am. Soc. Mass Spectrom. 2012, 23, 753-763.

Authors:  Sebastian Böcker
Journal:  J Am Soc Mass Spectrom       Date:  2012-06-07       Impact factor: 3.109

3.  Deconvolution and database search of complex tandem mass spectra of intact proteins: a combinatorial approach.

Authors:  Xiaowen Liu; Yuval Inbar; Pieter C Dorrestein; Colin Wynne; Nathan Edwards; Puneet Souda; Julian P Whitelegge; Vineet Bafna; Pavel A Pevzner
Journal:  Mol Cell Proteomics       Date:  2010-09-20       Impact factor: 5.911

4.  Quality control based on isotopic distributions for high-throughput MALDI-TOF and MALDI-FTICR serum peptide profiling.

Authors:  Simone Nicolardi; Magnus Palmblad; Hans Dalebout; Marco Bladergroen; Rob A E M Tollenaar; André M Deelder; Yuri E M van der Burgt
Journal:  J Am Soc Mass Spectrom       Date:  2010-05-12       Impact factor: 3.109

5.  Software Analysis of Uncorrelated MS1 Peaks for Discovery of Post-Translational Modifications.

Authors:  Bruce D Pascal; Graham M West; Catherina Scharager-Tapia; Ricardo Flefil; Tina Moroni; Pablo Martinez-Acedo; Patrick R Griffin; Anthony C Carvalloza
Journal:  J Am Soc Mass Spectrom       Date:  2015-08-12       Impact factor: 3.109

6.  Efficient calculation of exact mass isotopic distributions.

Authors:  Ross K Snider
Journal:  J Am Soc Mass Spectrom       Date:  2007-05-24       Impact factor: 3.109

7.  Elemental composition validation from stored waveform inverse Fourier transform (SWIFT) isolation FT-ICR MS isotopic fine structure.

Authors:  Brian M Ruddy; Gregory T Blakney; Ryan P Rodgers; Christopher L Hendrickson; Alan G Marshall
Journal:  J Am Soc Mass Spectrom       Date:  2013-08-06       Impact factor: 3.109

8.  A hierarchical algorithm for calculating the isotopic fine structures of molecules.

Authors:  Long Li; Joshua A Kresh; N Murat Karabacak; Jennifer S Cobb; Jeffrey N Agar; Pengyu Hong
Journal:  J Am Soc Mass Spectrom       Date:  2008-08-15       Impact factor: 3.109

9.  Discovering mercury protein modifications in whole proteomes using natural isotope distributions observed in liquid chromatography-tandem mass spectrometry.

Authors:  Benjamin J Polacco; Samuel O Purvine; Erika M Zink; Stephen P Lavoie; Mary S Lipton; Anne O Summers; Susan M Miller
Journal:  Mol Cell Proteomics       Date:  2011-04-30       Impact factor: 5.911

10.  Compositional Analysis of Wax Esters in Human Meibomian Gland Secretions by Direct Infusion Electrospray Ionization Mass Spectrometry.

Authors:  Jianzhong Chen; Kari B Green; Kelly K Nichols
Journal:  Lipids       Date:  2016-08-29       Impact factor: 1.880
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