Dataset

Undecanoic acid; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003884 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 C(C(C(C(C(C(C(C(C(C(C(=O)O[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])([H])[H]
InChI Key ZDPHROOEEOARMN-UHFFFAOYSA-N
Molecular Formula C11H22O2
Exact Mass 186.162 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-BS-BS003884
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Maintainer
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MetadataPublished 2017-12-01
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
    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.