[HTML][HTML] GC–MS libraries for the rapid identification of metabolites in complex biological samples

N Schauer, D Steinhauser, S Strelkov, D Schomburg… - FEBS letters, 2005 - Elsevier
Gas chromatography–mass spectrometry based metabolite profiling of biological samples is
rapidly becoming one of the cornerstones of functional genomics and systems biology. Thus …

TargetSearch-a Bioconductor package for the efficient preprocessing of GC-MS metabolite profiling data

A Cuadros-Inostroza, C Caldana, H Redestig… - BMC …, 2009 - Springer
Background Metabolite profiling, the simultaneous quantification of multiple metabolites in
an experiment, is becoming increasingly popular, particularly with the rise of systems-level …

Systematic identification of conserved metabolites in GC/MS data for metabolomics and biomarker discovery

MP Styczynski, JF Moxley, LV Tong, JL Walther… - Analytical …, 2007 - ACS Publications
Analysis of metabolomic profiling data from gas chromatography− mass spectrometry
(GC/MS) measurements usually relies upon reference libraries of metabolite mass spectra to …

Extending the breadth of metabolite profiling by gas chromatography coupled to mass spectrometry

O Fiehn - TrAC Trends in Analytical Chemistry, 2008 - Elsevier
Gas chromatography coupled to mass spectrometry (GC-MS) is one of the most frequently
used tools for profiling primary metabolites. Instruments are mature enough to run large …

Metabolomics by gas chromatography–mass spectrometry: Combined targeted and untargeted profiling

O Fiehn - Current protocols in molecular biology, 2016 - Wiley Online Library
Gas chromatography–mass spectrometry (GC‐MS)–based metabolomics is ideal for
identifying and quantitating small‐molecule metabolites (< 650 Da), including small acids …

A strategy for identifying differences in large series of metabolomic samples analyzed by GC/MS

P Jonsson, J Gullberg, A Nordström… - Analytical …, 2004 - ACS Publications
In metabolomics, the purpose is to identify and quantify all the metabolites in a biological
system. Combined gas chromatography and mass spectrometry (GC/MS) is one of the most …

Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry

WB Dunn, D Broadhurst, P Begley, E Zelena… - Nature protocols, 2011 - nature.com
Metabolism has an essential role in biological systems. Identification and quantitation of the
compounds in the metabolome is defined as metabolic profiling, and it is applied to define …

Organization of GC/MS and LC/MS metabolomics data into chemical libraries

CD DeHaven, AM Evans, H Dai, KA Lawton - Journal of cheminformatics, 2010 - Springer
Background Metabolomics experiments involve generating and comparing small molecule
(metabolite) profiles from complex mixture samples to identify those metabolites that are …

Nonsupervised construction and application of mass spectral and retention time index libraries from time-of-flight gas chromatography-mass spectrometry metabolite …

A Erban, N Schauer, AR Fernie, J Kopka - Metabolomics: methods and …, 2007 - Springer
Gas chromatography-mass spectrometry (GC-MS) is routinely applied to the metabolite
profiling of biological samples. Time-of-flight (TOF)-GC-MS metabolite profiling is based on …

GMD@ CSB. DB: the Golm metabolome database

J Kopka, N Schauer, S Krueger, C Birkemeyer… - …, 2005 - academic.oup.com
Metabolomics, in particular gas chromatography–mass spectrometry (GC–MS) based
metabolite profiling of biological extracts, is rapidly becoming one of the cornerstones of …