Dataset

UNDECANAL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008769 contains the MS mass spectrum of UNDECANAL with the InChIkey KMPQYAYAQWNLME-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3
SMILES CCCCCCCCCCC=O
InChI Key KMPQYAYAQWNLME-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-JP008769
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • undecanal
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB04093 drugbank
    CHEBI:46202 chebi
    LMFA06000064 lipidmaps
    UNA rcsb_pdb
    CHEMBL1236576 chembl
    22333 surechembl
    8186 pubchem
    B6P0A9PSHN fdasrs
    PD006485 probes_and_drugs
    136364 brenda
    5630 brenda
    HMDB0030941 hmdb
    Molport-001-787-580 molport
    The data in this table is sourced from UniChem at EBI.