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http://dx.doi.org/10.5012/bkcs.2009.30.11.2665

Optimized Automatic Noise Level Calculations for Broadband FT-ICR Mass Spectra of Petroleum Give More Reliable and Faster Peak Picking Results  

Hur, Manhoi (BNF Technology Inc)
Oh, Han-Bin (Department of Chemistry, Sogang University)
Kim, Sung-Hwan (Kyungpook National University, Department of Chemistry)
Publication Information
Bulletin of the Korean Chemical Society / v.30, no.11, 2009 , pp. 2665-2668 More about this Journal
Abstract
A new algorithm for determining noise level is proposed for more reliability in interpreting spectral data for complex Fourier transform ion cyclotron resonance (FTICR) mass spectra of petroleum. In the new algorithm, a moving window with a fixed number of data points was adopted, instead of a fixed m/z width. In the analysis of petroleum, it was found that a moving window of 50,000 or more data points was optimal. This optimized automated peak picking performed well even with frequency-dependant noise in the mass spectrum. Additionally, this fast, automated peak picking algorithm was suitable for the analysis of a large set of samples.
Keywords
FT-MS; 1/f noise; Baseline shift; Automated peak picking; Noise level calculation;
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