MET-COFEA: A Liquid Chromatography/Mass Spectrometry Data Processing Platform for Metabolite Compound Feature Extraction and Annotation
Lloyd Sumner
Analytical Chemistry, 2014
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Mass spectrometry tools and metabolite-specific databases for molecular identification in metabolomics
Paul Begley
The Analyst, 2009
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MET-IDEA version 2.06; improved efficiency and additional functions for mass spectrometry-based metabolomics data processing
Lloyd Sumner
Metabolomics, 2012
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Liquid chromatography quadrupole time-of-flight mass spectrometry characterization of metabolites guided by the METLIN database
Steve Yannone
Nature Protocols, 2013
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XCMS: Processing Mass Spectrometry Data for Metabolite Profiling Using Nonlinear Peak Alignment, Matching, and Identification
Gary Siuzdak
Analytical Chemistry, 2006
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Automated Pipeline for De Novo Metabolite Identification Using Mass-Spectrometry-Based Metabolomics
Rob Vreeken
Analytical Chemistry, 2013
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Bioinformatics Tools for Mass Spectroscopy-Based Metabolomic Data Processing and Analysis
Martin Robert, Masahiro Sugimoto
Current bioinformatics, 2012
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Mass spectral databases for LC/MS- and GC/MS-based metabolomics: State of the field and future prospects
Maria Vinaixa
TrAC Trends in Analytical Chemistry, 2016
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One Step Forward for Reducing False Positive and False Negative Compound Identifications from Mass Spectrometry Metabolomics Data: New Algorithms for Constructing Extracted Ion Chromatograms and Detecting Chromatographic Peaks
Stephen Barnes
Analytical chemistry, 2017
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Metabolite identification via the Madison Metabolomics Consortium Database
Adrian Hegeman
Nature Biotechnology, 2008
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Mass spectrometry for the identification of the discriminating signals from metabolomics: Current status and future trends
Jean-Claude Tabet
Journal of Chromatography B, 2008
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Metabolomic database annotations via query of elemental compositions: mass accuracy is insufficient even at less than 1 ppm
Tobias Kind
BMC bioinformatics, 2006
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Detailed Investigation and Comparison of the XCMS and MZmine 2 Chromatogram Construction and Chromatographic Peak Detection Methods for Preprocessing Mass Spectrometry Metabolomics Data
Stephen Barnes
Analytical chemistry, 2017
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MetumpX - A Metabolomics Support Package for Untargeted Mass Spectrometry
Faria Anwar
Bioinformatics
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iMet: a network-based computational tool to assist in the annotation of metabolites from tandem mass spectra
Marta Sales-Pardo
Analytical Chemistry, 2017
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Basics of mass spectrometry based metabolomics
Gaud Dervilly-Pinel
PROTEOMICS, 2014
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Organization of GC/MS and LC/MS metabolomics data into chemical libraries
Corey Day
Journal of Cheminformatics, 2010
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MetSign: a computational platform for high-resolution mass spectrometry-based metabolomics
Zhanxiang Zhou, Wenlong Sun, Bing Wang, Xue Shi
Analytical chemistry, 2011
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Applying In-Silico Retention Index and Mass Spectra Matching for Identification of Unknown Metabolites in Accurate Mass GC-TOF Mass Spectrometry
Tobias Kind
Analytical Chemistry, 2011
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Methods of Metabolite Identification Using MS/MS Data
Myungjae Kwak
Journal of Computer Information Systems, 2019
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Molecular formula and METLIN Personal Metabolite Database matching applied to the identification of compounds generated by LC/TOF-MS
Theodore Sana
Journal of biomolecular techniques : JBT, 2008
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MET-XAlign: A Metabolite Cross-alignment Tool for LC/MS-based Comparative Metabolomics
Lloyd Sumner
Analytical chemistry, 2015
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Public LC-Orbitrap Tandem Mass Spectral Library for Metabolite Identification
Muhammad Rifqi
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JUMPm: A Tool for Large-Scale Identification of Metabolites in Untargeted Metabolomics
Xusheng Wang
Metabolites
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An accelerated workflow for untargeted metabolomics using the METLIN database
Gary Siuzdak
Nature Biotechnology, 2012
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Enhanced metabolite identification with MSE and a automated software for structural elucidation
Britta Bonn
Rapid Communications in Mass Spectrometry, 2010
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An R package to analyse LC/MS metabolomic data: MAIT (Metabolite Automatic Identification Toolkit)
F. Fernandez-Albert
Bioinformatics, 2014
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Baitmet, a computational approach for GC–MS library-driven metabolite profiling
XAVIER DOMINGO
Metabolomics, 2017
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Enhanced metabolite identification with MSE and a semi-automated software for structural elucidation
Britta Bonn
Rapid Communications in Mass Spectrometry, 2010
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mSpecs: a software tool for the administration and editing of mass spectral libraries in the field of metabolomics
Dietmar Schomburg
BMC Bioinformatics, 2009
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Bioinformatics Tools for Metabolomic Data Processing and Analysis Using Untargeted Liquid Chromatography Coupled With Mass Spectrometry
Andrei lazar
Bulletin of University of Agricultural Sciences and Veterinary Medicine Cluj-Napoca. Animal Science and Biotechnologies, 2015
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