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Integrative normalization and comparative analysis for metabolic fingerprinting by comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry

Almstetter, Martin F. ; Appel, Inka ; Gruber, Michael ; Lottaz, Claudio ; Timischl, Birgit ; Spang, Rainer ; Dettmer, Katja ; Oefner, Peter J.



Abstract

Comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC x GC-TOF-MS) was applied to the comparative metabolic fingerprinting of a wild-type versus a double mutant strain of Escherichia coli lacking the transhydrogenases UdhA and PntAB. Using peak lists generated with the Leco ChromaTOF software as input, we developed retention time correction and data alignment tools ...

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