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Surface analysis of peptide mass spectra to improve time and mass localization
B Carrillo1, R E Kearney, C Yanofsky
1Dept. of Biomedical Eng., McGill Univ., Que., Canada.
Abstract:
Current peak detections algorithms for processing mass spectrometry (MS) spectra generally rely on two dimensional techniques for identifying the location and intensity of peaks from a single spectrum. However, when high performance liquid chromatography (HPLC) is coupled with mass spectrometry, a third dimension, retention time, is introduced. The ensemble of MS spectra may then be regarded as a 3D surface where spectral intensity is a function of m/z (mass-to-charge) and time. This suggests that peak localization can be improved by incorporating the time domain data and average data across both dimensions. This work describes a surface intensity analysis algorithm and the results of its use.
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