IDEOM: an Excel interface for analysis of LC–MS-based metabolomics data

PeakML/mzMatch: A File Format, Java Library, R Library, and Tool-Chain for Mass Spectrometry Data Analysis

(2011) Richard A. Scheltema et al.   ANALYTICAL CHEMISTRY

Toward Global Metabolomics Analysis with Hydrophilic Interaction Liquid Chromatography–Mass Spectrometry: Improved Metabolite Identification by Retention Time Prediction

(2011) Darren J. Creek et al.   ANALYTICAL CHEMISTRY

Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets

(2011) M. Brown et al.   BIOINFORMATICS

Separating the wheat from the chaff: a prioritisation pipeline for the analysis of metabolomics datasets

(2011) Andris Jankevics et al.   Metabolomics

Bioinformatics tools for cancer metabolomics

(2011) Grigoriy Blekherman et al.   Metabolomics

Computational mass spectrometry for metabolomics: Identification of metabolites and small molecules

(2010) Steffen Neumann et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data

(2010) Tomáš Pluskal et al.   BMC BIOINFORMATICS

Chemometrics in metabolomics—A review in human disease diagnosis

(2009) Rasmus Madsen et al.   ANALYTICA CHIMICA ACTA

Simple data-reduction method for high-resolution LC–MS data in metabolomics

(2009) RA Scheltema et al.   Bioanalysis