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Title: Extracting cluster distributions from mass spectra : IsotopeFit
Authors: Ralser, S.
Postler, J.
Harnisch, M.
Ellis, Andrew Michael
Scheier, P.
First Published: 7-Feb-2015
Citation: International Journal of Mass Spectrometry, 2015, 379, pp. 194-199
Abstract: The availability of high resolution mass spectrometry in the study of atomic and molecular clusters opens up challenges for the interpretation of the data. In complex systems each resolved mass peak may contain contributions from multiple species because of the isotope structure of constituent elements and because a multitude of different types of clusters with different compositions are present. A computational procedure which can help to identify a specific cluster from this complex dataset and quantify its relative abundance would be extremely helpful to many who work in this field. Here some new software designed for this purpose, known as IsotopeFit, is described.
DOI Link: 10.1016/j.ijms.2015.01.004
ISSN: 1387-3806
Version: Publisher Version
Status: Peer-reviewed
Type: Journal Article
Rights: Copyright © 2015 The Authors. Published by Elsevier B.V. Open Access funded by Austrian Science Fund (FWF). Under a Creative Commons license ( ) which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
Appears in Collections:Published Articles, Dept. of Chemistry

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