Automatic recognition of substance classes from data obtained by gas chromatography/mass spectrometry

Laboratory Automation and Information Management

Volumn 31, Issue 3, 1996, Pages 225-230

  Varmuza, K ^a   Stancl, F ^a   Lohninger, H ^a   Werther, W ^a  

^a VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

Classification; Isomer generator; Spectroscopy; Structure elucidation

Indexed keywords

AUTOMATION; CONFERENCE PAPER; CONTROLLED STUDY; DATA ANALYSIS; GAS CHROMATOGRAPHY; MASS SPECTROMETRY; PRIORITY JOURNAL;

EID: 0030053787     PISSN: 1381141X     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1381-141X(96)80008-6     Document Type: Conference Paper

References (5)

1. K. Varmuza, Int. J. Mass Spectrom. Ion Process., 118/119 (1992) 811.
2. B. Curry and D.E. Rumelhart, Tetrahedron Comput. Methodol., 3 (1990) 213.
3. H. Lohninger and K. Varmuza, Anal. Chem., 59 (1987) 236.
4. W. Werther, H. Lohninger, F. Stand and K. Varmuza, Chemom. Intell. Lab. Syst., 22 (1994) 63.
5. MassLib: Mass spectra database and information system, developed by D. Henneberg, B. Weimann and E. Ziegler (Max-Planck-Institut für Kohlenforschung, Mülheim/Ruhr, Germany), available from Chemical Concepts, P.O. Box 100202, D-69442 Weinheim, Germany.