Dataset

1,5-DIMETHYL-1-VINYL-4-HEXENYL ACETATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001214 contains the MS mass spectrum of 1,5-DIMETHYL-1-VINYL-4-HEXENYL ACETATE with the InChIkey UWKAYLJWKGQEPM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3
SMILES CC(C)=CCCC(C)(C=C)OC(C)=O
InChI Key UWKAYLJWKGQEPM-UHFFFAOYSA-N
Molecular Formula C12H20O2
Exact Mass 196.146 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-JP001214
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 3,7-dimethylocta-1,6-dien-3-yl acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    119095 Brenda
    CHEMBL502773 ChEMBL
    LINALYL ACETATE rxnorm
    HY-N6948 MedChemExpress
    J2.900I Nikkaji
    DTXSID7026946 EPA CompTox Dashboard
    J294.877J Nikkaji
    5K47SSQ51G FDA SRS
    SCHEMBL58028 SureChEMBL
    78333 ChEBI
    HMDB0039522 Human Metabolome Database
    60019093 NMRShiftDB
    14892002 PubChem: Thomson Pharma
    16509-46-9 ACToR
    115-95-7 ACToR
    151863-24-0 ACToR
    51685-40-6 ACToR
    PD127201 ProbesDrugs
    8294 PubChem
    510640 eMolecules
    The data in this table is sourced from UniChem at EBI.