Computational Prediction of Electron Ionization Mass Spectra to Assist in GC/MS Compound Identification

Analytical Chemistry

Volumn 88, Issue 15, 2016, Pages 7689-7697

  Allen, Felicity ^a   Pon, Allison ^a   Greiner, Russ ^a   Wishart, David ^a  

^a UNIVERSITY OF ALBERTA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

BAR CODES; CHROMATOGRAPHY; ELECTRONS; GAS CHROMATOGRAPHY; HTTP; IONIZATION; IONIZATION OF GASES; MASS SPECTROMETERS; NEURAL NETWORKS; WEB SERVICES;

COMPUTATIONAL PREDICTIONS; ELECTRON IONIZATION; ELECTRON IONIZATION MASS SPECTRA; ELECTROSPRAY TANDEM MASS SPECTRA; FRAGMENTATION MODELS; GAS CHROMATOGRAPHY-MASS SPECTROMETRY; MODEL FRAGMENTATION; REFERENCE DATABASE;

MASS SPECTROMETRY;

EID: 84982746832     PISSN: 00032700     EISSN: 15206882     Source Type: Journal    
DOI: 10.1021/acs.analchem.6b01622     Document Type: Article

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