Dataset

(R)-2-METHYL-5-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-ONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005802 contains the MS mass spectrum of (R)-2-METHYL-5-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-ONE with the InChIkey ULDHMXUKGWMISQ-SECBINFHSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1
SMILES CC(=C)C([H])(C1)CC(=O)C(C)=C([H])1
InChI Key ULDHMXUKGWMISQ-SECBINFHSA-N
Molecular Formula C10H14O
Exact Mass 150.104 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-JP005802
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MetadataPublished 2016-01-19
Related Molecule
  • (5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:15400 chebi
    LMPR0102090007 lipidmaps
    07V rcsb_pdb
    CHEMBL2229268 chembl
    230994 surechembl
    439570 pubchem
    5TO7X34D3D fdasrs
    PD197625 probes_and_drugs
    RERXIV CCDC
    174965 brenda
    18736 brenda
    21416 brenda
    218054 brenda
    260113 brenda
    6400 brenda
    92864 brenda
    HMDB0035089 hmdb
    Molport-002-507-612 molport
    The data in this table is sourced from UniChem at EBI.