Dataset

METHYL 5-METHYL-3-KETO-4-HEXENOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004746 contains the MS mass spectrum of METHYL 5-METHYL-3-KETO-4-HEXENOATE with the InChIkey BRUOTCVCYPVYPM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H12O3/c1-6(2)4-7(9)5-8(10)11-3/h4H,5H2,1-3H3
SMILES COC(=O)CC(=O)C=C(C)C
InChI Key BRUOTCVCYPVYPM-UHFFFAOYSA-N
Molecular Formula C8H12O3
Exact Mass 156.079 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-JP004746
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • methyl 5-methyl-3-oxohex-4-enoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    11549077 surechembl
    12576901 pubchem
    The data in this table is sourced from UniChem at EBI.