Dataset

11-DEHYDROSINULARIOLIDE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010668 contains the MS mass spectrum of 11-DEHYDROSINULARIOLIDE with the InChIkey BCEKDLJRXSZZRB-RWQKAGTCSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H28O4/c1-13-6-5-10-20(4)17(23-20)12-15-9-11-19(3,16(21)8-7-13)24-18(22)14(15)2/h6,15,17H,2,5,7-12H2,1,3-4H3/b13-6+/t15-,17+,19-,20+/m1/s1
SMILES CC(C2)=C([H])CCC(C)(O1)C([H])(CC([H])(C3)C(=C)C(=O)OC(C)(C3)C(=O)C2)1
InChI Key BCEKDLJRXSZZRB-RWQKAGTCSA-N
Molecular Formula C20H28O4
Exact Mass 332.199 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-JP010668
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (1R,3S,5S,8E,13R)-5,9,13-trimethyl-16-methylidene-4,14-dioxatricyclo[11.3.2.03,5]octadec-8-ene-12,15-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL4531702 chembl
    137628341 pubchem
    DTXSID30419489 comptox
    The data in this table is sourced from UniChem at EBI.