Computer-assisted structure identification (CASI) - An automated platform for high-throughput identification of small molecules by two-dimensional gas chromatography coupled to mass spectrometry

Analytical Chemistry

Volumn 85, Issue 23, 2013, Pages 11216-11224

  Knorr, Arno ^a   Monge, Aurelien ^a   Stueber, Markus ^b   Stratmann, André ^b   Arndt, Daniel ^a   Martin, Elyette ^a   Pospisil, Pavel ^a  

^a PHILIP MORRIS PRODUCTS S A   (Switzerland)

^b Philip Morris Research Laboratories GmbH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

2-D SEPARATION TECHNIQUES; MASS SPECTRAL LIBRARIES; QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIP MODELS; RELATIVE RETENTION TIME; SECOND DIMENSION RETENTION TIME; STRUCTURE IDENTIFICATION; TIME OF FLIGHT MASS SPECTROMETRY; TWO DIMENSIONAL GAS CHROMATOGRAPHY;

BOILING POINT; GAS CHROMATOGRAPHY; IDENTIFICATION (CONTROL SYSTEMS); MASS SPECTROMETRY; SEPARATION; STRUCTURE (COMPOSITION);

PARAMETER ESTIMATION;

ARTICLE; COMPUTER AIDED DESIGN; COMPUTER PROGRAM; HIGH THROUGHPUT SCREENING; LABORATORY AUTOMATION; MASS FRAGMENTOGRAPHY; METHODOLOGY; SMOKE;

AUTOMATION, LABORATORY; COMPUTER-AIDED DESIGN; GAS CHROMATOGRAPHY-MASS SPECTROMETRY; HIGH-THROUGHPUT SCREENING ASSAYS; SMOKE; SOFTWARE;

EID: 84889009646     PISSN: 00032700     EISSN: 15206882     Source Type: Journal    
DOI: 10.1021/ac4011952     Document Type: Article

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