ICT: isotope correction toolbox
Author(s) -
Christian Jungreuthmayer,
Stefan Neubauer,
Teresa Mairinger,
Jürgen Zanghellini,
Stephan Hann
Publication year - 2015
Publication title -
bioinformatics
Language(s) - Uncategorized
Resource type - Journals
SCImago Journal Rank - 3.599
H-Index - 390
eISSN - 1367-4811
pISSN - 1367-4803
DOI - 10.1093/bioinformatics/btv514
Subject(s) - toolbox , isotopomers , computer science , isotope , software , mit license , stable isotope ratio , source code , scalability , chemistry , programming language , database , physics , nuclear physics , molecule , organic chemistry
Isotope tracer experiments are an invaluable technique to analyze and study the metabolism of biological systems. However, isotope labeling experiments are often affected by naturally abundant isotopes especially in cases where mass spectrometric methods make use of derivatization. The correction of these additive interferences--in particular for complex isotopic systems--is numerically challenging and still an emerging field of research. When positional information is generated via collision-induced dissociation, even more complex calculations for isotopic interference correction are necessary. So far, no freely available tools can handle tandem mass spectrometry data. We present isotope correction toolbox, a program that corrects tandem mass isotopomer data from tandem mass spectrometry experiments. Isotope correction toolbox is written in the multi-platform programming language Perl and, therefore, can be used on all commonly available computer platforms.
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