Mining molecular structure databases: Identification of small molecules based on fragmentation mass spectrometry data

Mass Spectrometry Reviews

Volumn 36, Issue 5, 2017, Pages 624-633

  Hufsky, Franziska ^a   Böcker, Sebastian ^a  

^a FRIEDRICH SCHILLER UNIVERSITY JENA   (Germany)

Author keywords

computational methods; mass spectrometry; mining metabolite structures; structural elucidation

Indexed keywords

COMPUTATIONAL METHODS; MASS SPECTROMETRY; METABOLITES; SPECTROMETRY;

FRAGMENTATION MODELS; KEY TECHNOLOGIES; MASS SPECTROMETRY DATA; MOLECULAR FINGERPRINT; NEW APPROACHES; NOVEL MOLECULES; SMALL MOLECULES; STRUCTURAL ELUCIDATION;

MOLECULES;

EID: 84954304545     PISSN: 02777037     EISSN: 10982787     Source Type: Journal    
DOI: 10.1002/mas.21489     Document Type: Review

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