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Volumn 79, Issue 3, 2006, Pages 449-464

CASE via MS: Ranking structure candidates by mass spectra

Author keywords

Computer aided structure elucidation; Constitutional isomers; Electron impact mass spectrometry; Matchvalue; Spectrum structure compatibility; Structure generation

Indexed keywords


EID: 33846435744     PISSN: 00111643     EISSN: 1334417X     Source Type: Journal    
DOI: None     Document Type: Conference Paper
Times cited : (32)

References (30)
  • 1
    • 33846423446 scopus 로고    scopus 로고
    • NIST/EPA/NIH Mass Spectral Library, NIST '98 version, U.S. Department of Commerce, National Institute of Standards and Technology, Gaithersburg, U.S.
    • NIST/EPA/NIH Mass Spectral Library, NIST '98 version, U.S. Department of Commerce, National Institute of Standards and Technology, Gaithersburg, U.S.
  • 21
    • 33846412889 scopus 로고    scopus 로고
    • Exact Masses and Isotopic Abundances of the Elements, Mass Spectrometry and Chromatography - Scientific Instrument Services. Inc., www.sisweb.com/ referenc/source/exactmaa.htm.
    • Exact Masses and Isotopic Abundances of the Elements, Mass Spectrometry and Chromatography - Scientific Instrument Services. Inc., www.sisweb.com/ referenc/source/exactmaa.htm.
  • 23
    • 33846440809 scopus 로고    scopus 로고
    • MassFrontier 4.0, HighChem, Ltd., Bratislava, Slovakia.
    • MassFrontier 4.0, HighChem, Ltd., Bratislava, Slovakia.
  • 24
    • 33846443101 scopus 로고    scopus 로고
    • ACD/MS Manager, Advanced Chemistry Development, Inc, Toronto, Canada
    • ACD/MS Manager, Advanced Chemistry Development, Inc., Toronto, Canada.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.