Isotopomer distribution computation from tandem mass spectrometric data with overlapping fragment spectra

• Published in: Journal of spectroscopy (Hindawi) Vol. 19; no. 1; pp. 53 - 67
• Main Authors: Rousu, Juho, Rantanen, Ari, Ketola, Raimo A., Kokkonen, Juha T.
• Format: Journal Article
• Language: English
• Published: 01.01.2005

We present a method for determination of the isotopomer distributions of metabolites from the data generated by a tandem mass spectrometer. The method is an improvement over existing method as it is able to deal with overlapping fragments in the spectra. Our experiments indicate that the new method...