Paper: Accurate mass error correction in liquid chromatography time-of-flight mass spectrometry based metabolomics

Velitchka Mihaleva et al. (Plant Research International/Wageningen University) just published a paper in Metabolomics: Accurate mass error correction in liquid chromatography time-of-flight mass spectrometry based metabolomics (doi:10.1007/s11306-008-0108-4):

Experimental LC/TOF-MS platforms equipped with a time-to-digital converter (TDC) give the best mass estimate for those mass signals with an intensity similar to that of the lock-mass used for internal calibration. However, they systematically underestimate the mass obtained at higher signal intensity and overestimate it at low signal intensities compared to that of the lock-mass. To compensate for these effects, specific tools are required for correction and automation of accurate mass calculations from LC/MS signals. Here, we present a computational procedure for the derivation of an intensity-dependent mass correction function.

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