High resolution mass spectrometry for structural identification of metabolites in metabolomics

XCMS:  Processing Mass Spectrometry Data for Metabolite Profiling Using Nonlinear Peak Alignment, Matching, and Identification

Colin A. Smith, Elizabeth J. Want, Grace O’Maille et al. · Analytical Chemistry · 2006 · 5.2K citations

Life Sciences, Biochemistry, Mass Spectrometric Analysis +16

Proposed minimum reporting standards for chemical analysis

Lloyd W. Sumner, Alexander Amberg, Michael H. Beale et al. · Metabolomics · 2007 · 5K citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +12

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

Tomáš Pluskal, Sandra Castillo, Alejandro Villar‐Briones et al. · BMC Bioinformatics · 2010 · 3.9K citations · Full text

Life Sciences, Bioinformatics, Systems Biology +17

MS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysis

Hiroshi Tsugawa, Tomáš Čajka, Tobias Kind et al. · Nature Methods · 2015 · 3.4K citations · Full text

Life Sciences, Biochemistry, Mass Spectrometric Analysis +13

HMDB: the Human Metabolome Database

David S. Wishart, Dorit Tzur, Craig Knox et al. · Nucleic Acids Research · 2007 · 3.3K citations · Full text

Life Sciences, Biochemistry, Bioinformatics +17