Dataset

Undecanoic acid; LC-ESI-IT; MS2; m/z: 185.2; [M-H]-

This MassBank record with Accession MSBNK-Metabolon-MT000049 contains the MS2 mass spectrum of Undecanoic acid with the InChIkey ZDPHROOEEOARMN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
SMILES CCCCCCCCCCC(O)=O
InChI Key ZDPHROOEEOARMN-UHFFFAOYSA-N
Molecular Formula C11H22O2
Exact Mass 186.162 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Metabolon-MT000049
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • undecanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB16857 drugbank
    CHEBI:32368 chebi
    LMFA01010011 lipidmaps
    11A rcsb_pdb
    CHEMBL108030 chembl
    9266 surechembl
    8180 pubchem
    138ON3IIQG fdasrs
    11A - Ideal conformer pdbe
    5533 gtopdb
    PD048355 probes_and_drugs
    ZZZNYY CCDC
    137290 brenda
    16009 brenda
    8206 brenda
    HMDB0000947 hmdb
    Molport-000-881-069 molport
    50511006 bindingdb
    The data in this table is sourced from UniChem at EBI.