Computational Prediction of Electron Ionization Mass Spectra to Assist in GC/MS Compound Identification-Reference-Cited by-同舟云学术

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

Published:2016-07-21 Issue:15 Volume:88 Page:7689-7697
ISSN:0003-2700
Container-title:Analytical Chemistry
language:en
Short-container-title:Anal. Chem.

Author:

Allen Felicity¹,Pon Allison¹,Greiner Russ¹,Wishart David¹

Affiliation:

1. Department of Computing Science, University of Alberta, Edmonton T6G 2E8, Canada

Funder

Canadian Institutes of Health Research

Alberta Innovates - Health Solutions

Natural Sciences and Engineering Research Council of Canada

Alberta Innovates - Centre for Machine Learning

Genome Alberta

Publisher

American Chemical Society (ACS)

Subject

Analytical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.analchem.6b01622

Reference50 articles.

1. Mass Spectral Reference Libraries: An Ever-Expanding Resource for Chemical Identification

2. Optimization and testing of mass spectral library search algorithms for compound identification

3. Mass spectral databases for LC/MS- and GC/MS-based metabolomics: State of the field and future prospects

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