Approaches towards the automated interpretation and prediction of electrospray tandem mass spectra of non-peptidic combinatorial compounds

Rapid Communications in Mass Spectrometry

Volumn 17, Issue 11, 2003, Pages 1163-1168

  Klagkou, Katerina ^a   Pullen, Frank ^b   Harrison, Mark ^c   Organ, Andy ^d   Firth, Alistair ^e   Langley, G John ^a  

^a UNIVERSITY OF SOUTHAMPTON   (United Kingdom)

^b PFIZER GLOBAL RESEARCH AND DEVELOPMENT   (United Kingdom)

^c Stafford House   (United Kingdom)

^d GLAXOSMITHKLINE   (United Kingdom)

^e MERCK RESEARCH LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIOCHIPS; DRUG PRODUCTS; IONIZATION; LIBRARIES; MASS SPECTROMETERS; SENSITIVITY ANALYSIS;

AUTOMATED INTERPRETATION; COMBINATORIAL CHEMISTRY; COMBINATORIAL LIBRARY; ELECTROSPRAY MASS SPECTROMETRY; ELECTROSPRAY TANDEM MASS SPECTRA; FRAGMENTATION PATHWAYS; PHARMACEUTICAL INDUSTRY; POTENTIAL DRUG; RAPID IDENTIFICATION; SPECTRA'S;

MASS SPECTROMETRY;

AMINO ACID; AMPHETAMINE DERIVATIVE; BENZIMIDAZOLE DERIVATIVE; CARNITINE DERIVATIVE; PURINE DERIVATIVE; SULFONAMIDE;

ACCURACY; ARTICLE; ARTIFICIAL INTELLIGENCE; AUTOMATION; COMBINATORIAL CHEMISTRY; COMBINATORIAL LIBRARY; COMPUTER PROGRAM; DRUG IDENTIFICATION; IONIZATION; PREDICTION; STRUCTURE ANALYSIS; TANDEM MASS SPECTROMETRY;

EID: 0038361178     PISSN: 09514198     EISSN: None     Source Type: Journal    
DOI: 10.1002/rcm.987     Document Type: Article

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