Matching structures to mass spectra using fragmentation patterns: Are the results as good as they look?

Analytical Chemistry

Volumn 81, Issue 9, 2009, Pages 3608-3617

  Schymanski, Emma L ^a   Meringer, Markus ^b   Brack, Werner ^a  

^a HELMHOLTZ CENTRE FOR ENVIRONMENTAL RESEARCH UFZ   (Germany)

^b GERMAN AEROSPACE CENTER DLR   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER AIDED; ELECTRON IMPACT MASS SPECTRA; FRAGMENTATION PATTERNS; MASS SPECTRA; MASS SPECTRAL; MASS SPECTRAL FRAGMENTATION; MOLECULAR FORMULA; NIST DATABASE; STRUCTURE ELUCIDATION; UNIVERSITY OF BAYREUTH;

MASS SPECTROMETERS; MASS SPECTROMETRY;

ISOMERS;

ARTICLE; COMPUTER AIDED DESIGN; COMPUTER AIDED STRUCTURE ELUCIDATION; COMPUTER PREDICTION; COMPUTER PROGRAM; ELECTROSPRAY MASS SPECTROMETRY; INTERMETHOD COMPARISON; ISOMERIZATION; NONHUMAN; STRUCTURE ANALYSIS;

EID: 66149115595     PISSN: 00032700     EISSN: None     Source Type: Journal    
DOI: 10.1021/ac802715e     Document Type: Article

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