Expertomica metabolite profiling: getting more information from LC-MS using the stochastic systems approach

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12640%2F09%3A00010010" target="_blank" >RIV/60076658:12640/09:00010010 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Expertomica metabolite profiling: getting more information from LC-MS using the stochastic systems approach
Original language description
Mass spectrometers are sophisticated,. ne instruments which are essential in a variety applications. However, the data they produce are usually interpreted in a rather primitive way, without considering the accuracy of this data and the potential errorsin identifying peaks. Our new approach corrects this situation by dividing the LC-MS output into three components: (i) signature of the analyte, (ii) random noise and (iii) systemic noise. The systemic noise is related to the instrument and to the particular experiment; its characteristics change in time and depend on the analyzed substance. Working with these components allows us to quantify the probability of peak errors and, at the same time, to retrieve some peaks which get lost in the noise when using the existing methods. Our software tool, Expertomica metabolite pro. ling, automatically evaluates the given instrument, detects compounds and calculates the probability of individual peaks. It does not need any artificial user-define
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BO - Biophysics
OECD FORD branch
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Project
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Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)<br>S - Specificky vyzkum na vysokych skolach

Publication year
2009
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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