Baitmet, a computational approach for GC–MS library-driven metabolite profiling

eRah: A Computational Tool Integrating Spectral Deconvolution and Alignment with Quantification and Identification of Metabolites in GC/MS-Based Metabolomics

(2016) Xavier Domingo-Almenara et al.   ANALYTICAL CHEMISTRY

Mass spectral databases for LC/MS- and GC/MS-based metabolomics: State of the field and future prospects

(2016) Maria Vinaixa et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Compound identification in gas chromatography/mass spectrometry-based metabolomics by blind source separation

(2015) Xavier Domingo-Almenara et al.   JOURNAL OF CHROMATOGRAPHY A

metaMS: An open-source pipeline for GC–MS-based untargeted metabolomics

(2014) Ron Wehrens et al.   JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES

HMDB 3.0—The Human Metabolome Database in 2013

(2012) David S. Wishart et al.   NUCLEIC ACIDS RESEARCH

MassBank: a public repository for sharing mass spectral data for life sciences

(2010) Hisayuki Horai et al.   JOURNAL OF MASS SPECTROMETRY

Decision tree supported substructure prediction of metabolites from GC-MS profiles

(2010) Jan Hummel et al.   Metabolomics

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

(2009) Álvaro Cuadros-Inostroza et al.   BMC BIOINFORMATICS

TagFinder for the quantitative analysis of gas chromatography—mass spectrometry (GC-MS)-based metabolite profiling experiments

(2008) Alexander Luedemann et al.   BIOINFORMATICS

Retention index thresholds for compound matching in GC–MS metabolite profiling

(2008) Nadine Strehmel et al.   JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES