Dataset

(1S,2E,4E,7E,11E)-10-OXOCEMBRA-2,4,7,11-TETRAENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010838 contains the MS mass spectrum of (1S,2E,4E,7E,11E)-10-OXOCEMBRA-2,4,7,11-TETRAENE with the InChIkey MZTPSSNCTBEIEA-PHZHXBCNSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H30O/c1-15(2)19-11-9-16(3)7-6-8-17(4)13-20(21)14-18(5)10-12-19/h7-9,11,14-15,19H,6,10,12-13H2,1-5H3/b11-9+,16-7+,17-8+,18-14+/t19-/m0/s1
SMILES [H]C(C1)=C(C)CC(=O)C([H])=C(C)CCC([H])(C(C)C)C([H])=C([H])C(C)=C([H])1
InChI Key MZTPSSNCTBEIEA-PHZHXBCNSA-N
Molecular Formula C20H30O
Exact Mass 286.230 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP010838
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • nfdi4chem-mol21664(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    177546127 pubchem
    The data in this table is sourced from UniChem at EBI.