An optimal peak alignment for comprehensive two-dimensional gas chromatography mass spectrometry using mixture similarity measure | Zendy

Seongho Kim | Zendy; Aiqin Fang | Zendy; Bing Wang | Zendy; Jaesik Jeong | Zendy; Xiang Zhang | Zendy

Open Access

An optimal peak alignment for comprehensive two-dimensional gas chromatography mass spectrometry using mixture similarity measure

Author(s) -

Seongho Kim,

Aiqin Fang,

Bing Wang,

Jaesik Jeong,

Xiang Zhang

Publication year - 2011

Publication title -

bioinformatics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 3.599

H-Index - 390

eISSN - 1367-4811

pISSN - 1367-4803

DOI - 10.1093/bioinformatics/btr188

Subject(s) - measure (data warehouse) , mass spectrometry , similarity measure , similarity (geometry) , chromatography , gas chromatography–mass spectrometry , gas chromatography , chemistry , computer science , data mining , artificial intelligence , image (mathematics)

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 profiles obtained from multiple samples exposed to different experimental conditions.

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