Dataset

2-UNDECANONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007046 contains the MS mass spectrum of 2-UNDECANONE with the InChIkey KYWIYKKSMDLRDC-UHFFFAOYSA-N.

Chemical Information

Molecular Image
InChI InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3
SMILES CCCCCCCCCC(C)=O
InChI Key KYWIYKKSMDLRDC-UHFFFAOYSA-N
Molecular Formula C11H22O
Exact Mass 170.167 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-JP007046
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • undecan-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB08688 drugbank
    CHEBI:17700 chebi
    LMFA12000002 lipidmaps
    UOC rcsb_pdb
    CHEMBL1236582 chembl
    117635 surechembl
    8163 pubchem
    UOC pdbe
    PD004211 probes_and_drugs
    GIVFAW CCDC
    19950 brenda
    YV5DSO8CY9 fdasrs
    HMDB0033713 hmdb
    DTXSID2021943 comptox
    FDB011831 foodb
    Molport-003-933-723 molport
    The data in this table is sourced from UniChem at EBI.