Journal
BIOINFORMATICS
Volume 26, Issue 19, Pages 2488-2489Publisher
OXFORD UNIV PRESS
DOI: 10.1093/bioinformatics/btq441
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Funding
- UK Medical Research Council
- Waters Corporation
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High mass accuracy is an important goal in liquid chromatography-mass spectrometry experiments. Some manufacturers employ a mass calibration system that regularly switches between the analyte and a standard reference compound, and leads to gaps in the analyte data. We present a method for correction of such gaps in global molecular profiling applications such as metabolomics. We demonstrate that it improves peak detection and quantification, successfully recovering the expected number of peaks and intensity distribution in an example metabolomics dataset.
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