Dataset

Undecanedioic acid; LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-

This MassBank record with Accession MSBNK-LCSB-LU047655 contains the MS2 mass spectrum of Undecanedioic acid with the InChIkey LWBHHRRTOZQPDM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)
SMILES OC(=O)CCCCCCCCCC(O)=O
InChI Key LWBHHRRTOZQPDM-UHFFFAOYSA-N
Molecular Formula C11H20O4
Exact Mass 216.136 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU047655
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Maintainer
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MetadataPublished 2020-08-19
Related Molecule
  • undecanedioic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:73713 chebi
    LMFA01170007 lipidmaps
    CHEMBL3183300 chembl
    28401 surechembl
    15816 pubchem
    7059GFK8NV fdasrs
    PD099475 probes_and_drugs
    UNDEAC CCDC
    114524 brenda
    HMDB0000888 hmdb
    Molport-001-781-906 molport
    The data in this table is sourced from UniChem at EBI.