Dataset

3-METHYL-2-PENTYL-2-CYCLOPENTENONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005811 contains the MS mass spectrum of 3-METHYL-2-PENTYL-2-CYCLOPENTENONE with the InChIkey YCIXWYOBMVNGTB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H18O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h3-8H2,1-2H3
SMILES CCCCCC(=C(C)1)C(=O)CC1
InChI Key YCIXWYOBMVNGTB-UHFFFAOYSA-N
Molecular Formula C11H18O
Exact Mass 166.136 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-JP005811
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3-methyl-2-pentylcyclopent-2-en-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:143730 chebi
    CHEMBL3728427 chembl
    114204 surechembl
    62378 pubchem
    PD088153 probes_and_drugs
    Y953R7PP90 fdasrs
    HMDB0031565 hmdb
    Molport-003-925-033 molport
    The data in this table is sourced from UniChem at EBI.