An R package to analyse LC/MS metabolomic data: MAIT (Metabolite Automatic Identification Toolkit)

Liquid chromatography–mass spectrometry based global metabolite profiling: A review

(2011) Georgios A. Theodoridis et al.   ANALYTICA CHIMICA ACTA

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

CAMERA: An Integrated Strategy for Compound Spectra Extraction and Annotation of Liquid Chromatography/Mass Spectrometry Data Sets

(2011) Carsten Kuhl et al.   ANALYTICAL CHEMISTRY

AStream: an R package for annotating LC/MS metabolomic data

(2011) Arnald Alonso et al.   BIOINFORMATICS

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

(2011) M. Brown et al.   BIOINFORMATICS

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

(2010) Tomáš Pluskal et al.   BMC BIOINFORMATICS

MetaboAnalyst: a web server for metabolomic data analysis and interpretation

(2009) J. Xia et al.   NUCLEIC ACIDS RESEARCH

HMDB: a knowledgebase for the human metabolome

(2008) D. S. Wishart et al.   NUCLEIC ACIDS RESEARCH