Dataset

(1R,2E,4Z,7E,11E)-CEMBRA-2,4,7,11,15-PENTAENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010635 contains the MS mass spectrum of (1R,2E,4Z,7E,11E)-CEMBRA-2,4,7,11,15-PENTAENE with the InChIkey RLAFZRBJBUMWGN-JJDAXJIHSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H30/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,20H,1,6-7,9,13,15H2,2-5H3/b14-12+,17-8+,18-10-,19-11+/t20-/m1/s1
SMILES [H]C(C1)=C(C)CCC([H])(C(C)=C)C([H])=C([H])C(C)=C([H])CC([H])=C(C)C1
InChI Key RLAFZRBJBUMWGN-JJDAXJIHSA-N
Molecular Formula C20H30
Exact Mass 270.235 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP010635
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MetadataPublished 2016-01-19
Related Molecule
  • (1E,3Z,6E,10E,14S)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-1,3,6,10-tetraene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.