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

A Cuadros-Inostroza, C Caldana, H Redestig… - BMC …, 2009 - Springer
… TargetSearch allows fast and accurate data pre-processing for GC-MS experiments and …
it with other GC-MS pre-processing tools. We believe this package will greatly ease current …

Metab: an R package for high-throughput analysis of metabolomics data generated by GC-MS

R Aggio, SG Villas− Bôas, K Ruggiero - Bioinformatics, 2011 - academic.oup.com
… Metab R package designed to automate the pipeline for analysis of metabolomics GC-MS
datasets … We have introduced a new R package, Metab, which automates the tasks commonly …

[HTML][HTML] The metaRbolomics Toolbox in Bioconductor and beyond

J Stanstrup, CD Broeckling, R Helmus, N Hoffmann… - Metabolites, 2019 - mdpi.com
… resolution GC×GC-MS. While the msPeak package provides peak picking for GC×GC-MS
data… advantage of the mass selectivity provided by the MS detector. It does not appear that any …

PyMS: a Python toolkit for processing of gas chromatography-mass spectrometry (GC-MS) data. Application and comparative study of selected tools

S O'Callaghan, DP De Souza, A Isaac, Q Wang… - BMC …, 2012 - Springer
… A set of specifically designed experiments was performed in-house and used to comparatively
evaluate the performance of PyMS and three widely used software packages for GC-MS

metaMS: An open-source pipeline for GCMS-based untargeted metabolomics

R Wehrens, G Weingart, F Mattivi - Journal of Chromatography B, 2014 - Elsevier
… , a package implementing a pipeline for untargeted GCMS metabolomics. It is based on
the open source packages … metaMS package, available the Bioconductor repository (http://www.…

Data processing for GC-MS-and LC-MS-based untargeted metabolomics

L Yao, AM Sheflin, CD Broeckling, JE Prenni - … Metabolomics: Methods and …, 2019 - Springer
… for separation and detection by GC-MS. GC-MS and LC-MS are complementary techniques,
… Thus, we recommend using the fillPeaks.chrom function in the XCMS R package to replace …

From sample treatment to biomarker discovery: A tutorial for untargeted metabolomics based on GC-(EI)-Q-MS

A Mastrangelo, A Ferrarini, F Rey-Stolle, A Garcia… - Analytica chimica …, 2015 - Elsevier
… techniques coupled to MS, in this tutorial we will focus on the use of the GC-(EI)-Q-MS. …
Another widely used tool in metabolomics data pre-processing is the XCMS software package

Create, run, share, publish, and reference your LC–MS, FIA–MS, GCMS, and NMR data analysis workflows with the Workflow4Metabolomics 3.0 Galaxy online …

Y Guitton, M Tremblay-Franco, G Le Corguillé… - … International Journal of …, 2017 - Elsevier
… The multivariate and feature selection tools are based on the ropls and biosigner
Bioconductor packages, respectively. The raw data are publicly available in the MetaboLights …

[PDF][PDF] CHROMATOPLOTS: A PIPELINE BASED R PACKAGE FOR THE PRE-PROCESSING OF GC-MS METABOLOMICS DATA.

T Yin, M Lawrence, S Choi, M Vendettuoli… - … of biological data …, 2013 - Citeseer
… The chromatoplots package is building on R package … and Bioconductor package for
preprocessing GC/MS and LC/MS … , and Bioconductor is platform hosting hundreds R packages

Simat: Gc-sim-ms data analysis tool

MR Nezami Ranjbar, CD Poto, Y Wang, HW Ressom - BMC bioinformatics, 2015 - Springer
… In particular, GC coupled to single quadrupole MS can be utilized for targeted analysis by …
analysis of GC-SIM-MS data. In this paper, we introduce a new R/Bioconductor package called …