A predictive science approach to aid understanding of electrospray ionisation tandem mass spectrometric fragmentation pathways of small molecules using density functional calculations-Reference-Cited by-同舟云学术

A predictive science approach to aid understanding of electrospray ionisation tandem mass spectrometric fragmentation pathways of small molecules using density functional calculations

Published:2013-04-14 Issue:9 Volume:27 Page:964-970
ISSN:0951-4198
Container-title:Rapid Communications in Mass Spectrometry
language:en
Short-container-title:Rapid Commun. Mass Spectrom.

Author:

Galezowska Angelika¹,Harrison Mark W.²,Herniman Julie M.¹,Skylaris Chris-Kriton¹,Langley G. John¹

Affiliation:

1. Department of Chemistry; University of Southampton; Southampton SO17 IBJ UK

2. Pharmaceutical Development; AstraZeneca; Macclesfield SK10 2NA UK

Publisher

Wiley

Subject

Organic Chemistry,Spectroscopy,Analytical Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/rcm.6536/fullpdf

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3. Applications of artificial intelligence for chemical inference. VIII. Approach to the computer interpretation of the high resolution mass spectra of complex molecules. Structure elucidation of estrogenic steroids;Smith;J. Am. Chem. Soc.,1972

4. Structure elucidation system using structural information from multisources: CHEMICS;Sasaki;J. Chem. Inf. Comput. Sci.,1985

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