Alignment of capillary electrophoresis-mass spectrometry datasets using accurate mass information
| Type: | Application |
Scientific Paper |
Metabolomics Studies, Food & Environmental, Gen. Pharma & Chemistry |
| Number: | Technology |
10.1007/s00216-009-3166-1 |
UHR-TOF |
| Year | Products |
2009 |
maXis |
| Author | |
Nevedomskaya E, Derks R, Deelder AM, Mayboroda OA, Palmblad M. Biomolecular Mass Spectrometry Unit, Department of Parasitology, Leiden University Medical Center, 2300 RC, Leiden, Netherlands, e.nevedomskaya@lumc.nl |
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| Reference | |
Anal Bioanal Chem. 2009 Oct 14. |
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Abstract |
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Capillary electrophoresis-mass spectrometry (CE-MS) is a powerful technique for the analysis of small soluble compounds in biological fluids. A major drawback of CE is the poor migration time reproducibility, which makes it difficult to combine data from different experiments and correctly assign compounds. A number of alignment algorithms have been developed but not all of them can cope with large and irregular time shifts between CE-MS runs. Here we present a genetic algorithm designed for alignment of CE-MS data using accurate mass information. The utility of the algorithm was demonstrated on real data, and the results were compared with one of the existing packages. The new algorithm showed a significant reduction of elution time variation in the aligned datasets. The importance of mass accuracy for the performance of the algorithm was also demonstrated by comparing alignments of datasets from a standard time-of-flight (TOF) instrument with those from the new ultrahigh resolution TOF maXis (Bruker Daltonics).
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