Automated Compatibility Tests of the Molecular Formulas or Structures of Organic Compounds with Their Mass Spectra
- 5 June 1999
- journal article
- Published by American Chemical Society (ACS) in Journal of Chemical Information and Computer Sciences
- Vol. 39 (4) , 713-717
- https://doi.org/10.1021/ci980171b
Abstract
No abstract availableThis publication has 12 references indexed in Scilit:
- Computer-assisted IR spectra prediction — linked similarity searches for structures and spectraAnalytica Chimica Acta, 1997
- Infrared Spectra Simulation of Substituted Benzene Derivatives on the Basis of a 3D Structure RepresentationAnalytical Chemistry, 1997
- Prediction of infrared spectra from chemical structures of organic compounds using neural networksChemometrics and Intelligent Laboratory Systems, 1993
- Simple tools for the computer-aided interpretation of mass spectraChemometrics and Intelligent Laboratory Systems, 1993
- Structure-specific collision-induced fragmentations of ceramides cationized with alkali-metal ionsAnalytical Chemistry, 1993
- Computer Software Reviews. MOBY Version 1.41Journal of Chemical Information and Computer Sciences, 1992
- Calculation of isotope distributions in mass spectrometry. A trivial solution for a non-trivial problemAnalytica Chimica Acta, 1991
- A computer program for the prediction of 13-C-NMR chemical shifts of organic compoundsAnalytica Chimica Acta, 1990
- The status and evaluation of a mass spectral data baseJournal of Mass Spectrometry, 1987
- Hose — a novel substructure codeAnalytica Chimica Acta, 1978