Smith-Waterman peak alignment for comprehensive two-dimensional gas chromatography-mass spectrometry
نویسندگان
چکیده
منابع مشابه
An optimal peak alignment for comprehensive two-dimensional gas chromatography mass spectrometry using mixture similarity measure
MOTIVATION Comprehensive two-dimensional gas chromatography mass spectrometry (GC × GC-MS) brings much increased separation capacity, chemical selectivity and sensitivity for metabolomics and provides more accurate information about metabolite retention times and mass spectra. However, there is always a shift of retention times in the two columns that makes it difficult to compare metabolic pro...
متن کاملComparative Analysis of Mass Spectral Similarity Measures on Peak Alignment for Comprehensive Two-Dimensional Gas Chromatography Mass Spectrometry
Peak alignment is a critical procedure in mass spectrometry-based biomarker discovery in metabolomics. One of peak alignment approaches to comprehensive two-dimensional gas chromatography mass spectrometry (GC×GC-MS) data is peak matching-based alignment. A key to the peak matching-based alignment is the calculation of mass spectral similarity scores. Various mass spectral similarity measures h...
متن کاملNormal-Gamma-Bernoulli peak detection for analysis of comprehensive two-dimensional gas chromatography mass spectrometry data
Compared to other analytical platforms, comprehensive two-dimensional gas chromatography coupled with mass spectrometry (GC×GC-MS) has much increased separation power for analysis of complex samples and thus is increasingly used in metabolomics for biomarker discovery. However, accurate peak detection remains a bottleneck for wide applications of GC×GC-MS. Therefore, the normal-exponential-Bern...
متن کاملA Two-stage Peak Alignment Algorithm for Two-Dimensional Gas Chromatography Time-of-Flight Mass Spectrometry-Based Metabolomics
Comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry (GC×GC/TOF-MS) has been applied to metabolomics analyses recently. However, retention time shifts in the two-dimensional gas chromatography will introduce difficulty to compare compound profiles obtained from multiple samples. In this work, a novel two-stage peak alignment algorithm has been developed...
متن کاملA New Method of Peak Detection for Analysis of Comprehensive Two-dimensional Gas Chromatography Mass Spectrometry Data.
We develop a novel peak detection algorithm for the analysis of comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry (GC×GC-TOF MS) data using normal-exponential-Bernoulli (NEB) and mixture probability models. The algorithm first performs baseline correction and denoising simultaneously using the NEB model, which also defines peak regions. Peaks are then picked usin...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: BMC Bioinformatics
سال: 2011
ISSN: 1471-2105
DOI: 10.1186/1471-2105-12-235