Labelling experiments in biology usually make use of isotopically enriched substrates, with the two most commonly employed isotopes for metabolism being 2 H and 13 C. At the end of the experiment some metabolites will have incorporated the labelling isotope, to a degree that depends on the metabolic turnover. In order to propose a meaningful biological interpretation, it is necessary to estimate the amount of labelling, and one possible route is to exploit the fact that MS isotopic patterns reflect the isotopic distributions. Results: We developed the IsotopicLabelling R package, a tool able to extract and analyze isotopic patterns from liquid chromatography-mass spectrometry (LC-MS) and gas chromatography-MS (GC-MS) data relative to labelling experiments. This package estimates the isotopic abundance of the employed stable isotope (either 2 H or 13 C) within a specified list of analytes

IsotopicLabelling: An R package for the analysis of MS isotopic patterns of labelled analytes / Ferrazza, R.; Griffin, J. L.; Guella, G.; Franceschi, P.. - In: BIOINFORMATICS. - ISSN 1367-4803. - STAMPA. - 33:2(2017), pp. 300-302. [10.1093/bioinformatics/btw588]

IsotopicLabelling: An R package for the analysis of MS isotopic patterns of labelled analytes

Ferrazza, R.;Guella, G.;Franceschi, P.
2017-01-01

Abstract

Labelling experiments in biology usually make use of isotopically enriched substrates, with the two most commonly employed isotopes for metabolism being 2 H and 13 C. At the end of the experiment some metabolites will have incorporated the labelling isotope, to a degree that depends on the metabolic turnover. In order to propose a meaningful biological interpretation, it is necessary to estimate the amount of labelling, and one possible route is to exploit the fact that MS isotopic patterns reflect the isotopic distributions. Results: We developed the IsotopicLabelling R package, a tool able to extract and analyze isotopic patterns from liquid chromatography-mass spectrometry (LC-MS) and gas chromatography-MS (GC-MS) data relative to labelling experiments. This package estimates the isotopic abundance of the employed stable isotope (either 2 H or 13 C) within a specified list of analytes
2017
2
Ferrazza, R.; Griffin, J. L.; Guella, G.; Franceschi, P.
IsotopicLabelling: An R package for the analysis of MS isotopic patterns of labelled analytes / Ferrazza, R.; Griffin, J. L.; Guella, G.; Franceschi, P.. - In: BIOINFORMATICS. - ISSN 1367-4803. - STAMPA. - 33:2(2017), pp. 300-302. [10.1093/bioinformatics/btw588]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11572/187231
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