Efficient calculation of exact mass isotopic distributions



This paper presents a new method for efficiently calculating the exact masses in an isotopic distribution using a dynamic programming approach. The resulting program, isoDalton, can generate extremely high isotopic resolutions as demonstrated by a FWHM resolution of 2 × 1011. This resolution allows very fine mass structures in isotopic distributions to be seen, even for large molecules. Since the number of exact masses grows exponentially with molecular size, only the most probable exact masses are kept, the number of which is user specified.

Supplementary material

13361_2011_180801511_MOESM1_ESM.zip (130 kb)
Supplementary material, approximately 133 KB.

Copyright information

© American Society for Mass Spectrometry 2007

Authors and Affiliations

  1. 1.Technology, Inc.BozemanUSA
  2. 2.Department of Electrical and Computer EngineeringMontana State UniversityBozemanUSA

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