Dataset

UNDECANOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006863 contains the MS mass spectrum of UNDECANOL with the InChIkey KJIOQYGWTQBHNH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
SMILES CCCCCCCCCCCO
InChI Key KJIOQYGWTQBHNH-UHFFFAOYSA-N
Molecular Formula C11H24O
Exact Mass 172.183 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-JP006863
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • undecan-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:87499 chebi
    LMFA05000144 lipidmaps
    ZFC rcsb_pdb
    CHEMBL444525 chembl
    20655 surechembl
    8184 pubchem
    06MJ0P28T3 fdasrs
    PD144437 probes_and_drugs
    KEZGAZ CCDC
    32421 brenda
    52177 brenda
    ZFC - Ideal conformer pdbe
    HMDB0013113 hmdb
    Molport-001-788-271 molport
    The data in this table is sourced from UniChem at EBI.