Integrated analytical and computer tools for structure elucidation in effect-directed analysis

TrAC - Trends in Analytical Chemistry

Volumn 28, Issue 5, 2009, Pages 550-561

  Schymanski, E L ^a   Bataineh, M ^a,b   Goss, K U ^a   Brack, W ^a  

^a HELMHOLTZ CENTRE FOR ENVIRONMENTAL RESEARCH UFZ   (Germany)

^b UNIVERSITY OF PETRA   (Jordan)

Author keywords

Chromatography; Classifier; Database search; Effect directed analysis; Environmental analysis; Identification of unknowns; Linear solvation energy relationship (LSER); Mass spectrometry; MODELKEY; Structure elucidation

Indexed keywords

DATABASE SEARCH; EFFECT-DIRECTED ANALYSIS; ENVIRONMENTAL ANALYSIS; IDENTIFICATION OF UNKNOWNS; LINEAR SOLVATION-ENERGY RELATIONSHIP (LSER); MODELKEY; STRUCTURE ELUCIDATION;

CHROMATOGRAPHIC ANALYSIS; CHROMATOGRAPHY; CLASSIFIERS; ISOMERS; LEARNING SYSTEMS; MASS SPECTROMETERS; MASS SPECTROMETRY; SEARCH ENGINES; SOLVATION; SPECTRUM ANALYSIS;

INFORMATION RETRIEVAL;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CHROMATOGRAPHY; COMPUTER ANALYSIS; COMPUTER SYSTEM; DATA BASE; EFFECT DIRECTED ANALYSIS; EXTRACTION; MASS SPECTROMETRY; POLLUTANT; PRIORITY JOURNAL;

EID: 67349255190     PISSN: 01659936     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.trac.2009.03.001     Document Type: Article

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