Rapid Calculation of Isotope Distributions

A new method for calculating isotope distributions starting from a molecular formula and elemental isotopic abundances is described. The algorithm uses Fourier transform methods to do the multiple convolutions required to calculate molecular isotope distributions.

Saved in:
Bibliographic Details
Published in:Analytical chemistry (Washington) 1995-08, Vol.67 (15), p.2699-2704
Main Authors: Rockwood, Alan L, Van Orden, Steven L, Smith, Richard D
Format: Article
Language:English
Subjects:
Algorithms
Analytical chemistry
Chemistry
Exact sciences and technology
General, instrumentation
Isotopes
Citations: Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:A new method for calculating isotope distributions starting from a molecular formula and elemental isotopic abundances is described. The algorithm uses Fourier transform methods to do the multiple convolutions required to calculate molecular isotope distributions.
ISSN:0003-2700
1520-6882
DOI:10.1021/ac00111a031