Dataset

3-DODECANONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008596 contains the MS mass spectrum of 3-DODECANONE with the InChIkey PERIHWAPLOBAJM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h3-11H2,1-2H3
SMILES CCCCCCCCCC(=O)CC
InChI Key PERIHWAPLOBAJM-UHFFFAOYSA-N
Molecular Formula C12H24O
Exact Mass 184.183 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-JP008596
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • dodecan-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15229 PubChem
    6194151 eMolecules
    J125.023J Nikkaji
    ZINC000001606044 ZINC
    LMFA12000164 LipidMaps
    DTXSID00165320 EPA CompTox Dashboard
    CB6322443 ChemicalBook
    SCHEMBL811181 SureChEMBL
    1534-27-6 ACToR
    60031566 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.