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

Analytical and Bioanalytical Chemistry

Volumn 398, Issue 7-8, 2010, Pages 2779-2788

  Neumann, Steffen ^b   Böcker, Sebastian ^a  

^a FRIEDRICH SCHILLER UNIVERSITY JENA   (Germany)

^b NONE

Author keywords

Compound identification; Mass spectrometry; Metabolomics; Spectral library; Structure elucidation

Indexed keywords

COMPOUND IDENTIFICATION; COMPOUND LIBRARIES; DISTANCE FUNCTIONS; KAEMPFEROL; METABOLOMICS; METHOD DEVELOPMENT; REFERENCE SPECTRUM; SMALL MOLECULES; SPECTRAL LIBRARIES; STRUCTURAL INFORMATION; STRUCTURE ELUCIDATION; TANDEM MASS; TANDEM MASS SPECTRA; VERAPAMIL;

ELECTROSPRAY IONIZATION; LIBRARIES; MASS SPECTROMETRY; METABOLISM; METABOLITES;

CHEMICAL COMPOUNDS;

BIOLOGY; ELECTROSPRAY MASS SPECTROMETRY; HUMAN; METABOLOMICS; METHODOLOGY; REVIEW; TANDEM MASS SPECTROMETRY;

COMPUTATIONAL BIOLOGY; HUMANS; METABOLOMICS; SPECTROMETRY, MASS, ELECTROSPRAY IONIZATION; TANDEM MASS SPECTROMETRY;

EID: 78650173423     PISSN: 16182642     EISSN: 16182650     Source Type: Journal    
DOI: 10.1007/s00216-010-4142-5     Document Type: Review

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