Computing positional isotopomer distributions from tandem mass spectrometric data
| Autor: | Raimo A. Ketola, Virpi Tarkiainen, Ari Rantanen, Juho Rousu, Juha Kokkonen |
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| Jazyk: | angličtina |
| Rok vydání: | 2002 |
| Předmět: |
Spectrometry
Mass Electrospray Ionization Computation Analytical chemistry Bioengineering isotopomer distribution Mass spectrometry Tandem mass spectrometry 01 natural sciences Applied Microbiology and Biotechnology Mass Spectrometry Isotopomers Ion 03 medical and health sciences Fragmentation (mass spectrometry) Isomerism tandem mass spectrometry Amino Acids 030304 developmental biology flux analysis 0303 health sciences Carbon Isotopes Alanine Tandem Chemistry 010401 analytical chemistry Selected reaction monitoring 0104 chemical sciences Isotope Labeling Biological system Algorithms Biotechnology Chromatography Liquid |
| Zdroj: | Rantanen, A, Rousu, J, Kokkonen, J T, Tarkiainen, V & Ketola, R A 2002, ' Computing positional isotopomer distributions from tandem mass spectrometric data ', Metabolic Engineering, vol. 4, no. 4, pp. 285-294 . https://doi.org/10.1006/mben.2002.0232 |
| DOI: | 10.1006/mben.2002.0232 |
| Popis: | The isotopomer distributions of metabolites are invaluable pieces of information in the computation of the flux distribution in a metabolic network. We describe the use of tandem mass spectrometry with the daughter ion scanning technique in the discovery of positional isotopomer distributions (PID). This technique increases the possibilities of mass spectrometry since given the same fragment ions, it uncovers more information than the full scanning mode. The mathematics of the new technique is slightly more complicated than the techniques needed by full scanning mode methods. Our experiments, however, show that in practice the inadequacy of the fragmentation of amino acids in the tandem mass spectrometer does not allow uncovering the PID exactly even if the daughter ion scanning is used. The computational techniques have been implemented in a MATLAB application called PIDC (Positional Isotopomer Distribution Calculator). |
| Databáze: | OpenAIRE |
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