Dataset

DELTA-DODECALACTONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008738 contains the MS mass spectrum of DELTA-DODECALACTONE with the InChIkey QRPLZGZHJABGRS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3
SMILES CCCCCCCC(C1)OC(=O)CC1
InChI Key QRPLZGZHJABGRS-UHFFFAOYSA-N
Molecular Formula C12H22O2
Exact Mass 198.162 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-JP008738
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 6-heptyloxan-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    22955 Brenda
    33DIC582TL FDA SRS
    .DELTA.-DODECALACTONE rxnorm
    197679 Brenda
    42652 Brenda
    J102.254G Nikkaji
    LMFA07040040 LipidMaps
    HMDB0037742 Human Metabolome Database
    171817 ChEBI
    197689 Brenda
    DTXSID9047596 EPA CompTox Dashboard
    CB7278897 ChemicalBook
    20201439 NMRShiftDB
    CHEMBL4636895 ChEMBL
    713-95-1 ACToR
    3051-22-7 ACToR
    474416 eMolecules
    15322407 PubChem: Thomson Pharma
    SCHEMBL114922 SureChEMBL
    MCULE-4837230476 Mcule
    12844 PubChem
    The data in this table is sourced from UniChem at EBI.