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Bayesian Peptide Peak Detection for High Resolution TOF Mass Spectrometry

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7 Author(s)
Jianqiu Zhang ; Dept. of Electr. & Comput. Eng., Univ. of Texas at San Antonio, San Antonio, TX, USA ; Xiaobo Zhou ; Honghui Wang ; Suffredini, A.
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In this paper, we address the issue of peptide ion peak detection for high resolution time-of-flight (TOF) mass spectrometry (MS) data. A novel Bayesian peptide ion peak detection method is proposed for TOF data with resolution of 10 000-15 000 full width at half-maximum (FWHW). MS spectra exhibit distinct characteristics at this resolution, which are captured in a novel parametric model. Based on the proposed parametric model, a Bayesian peak detection algorithm based on Markov chain Monte Carlo (MCMC) sampling is developed. The proposed algorithm is tested on both simulated and real datasets. The results show a significant improvement in detection performance over a commonly employed method. The results also agree with expert's visual inspection. Moreover, better detection consistency is achieved across MS datasets from patients with identical pathological condition.

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Signal Processing, IEEE Transactions on  (Volume:58 ,  Issue: 11 )