Dataset

Undecanedioic acid; LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-

This MassBank record with Accession MSBNK-LCSB-LU047656 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-LU047656
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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
    15816 PubChem
    485758 eMolecules
    LMFA01170007 LipidMaps
    ZINC000001593115 ZINC
    HY-W014125 MedChemExpress
    J105.350G Nikkaji
    HMDB0000888 Human Metabolome Database
    CHEMBL3183300 ChEMBL
    114524 Brenda
    UNDEAC CCDC
    UNDECANEDIOIC ACID rxnorm
    MTBLC73713 Metabolights
    CB6424163 ChemicalBook
    DTXSID0044862 EPA CompTox Dashboard
    SCHEMBL28401 SureChEMBL
    7059GFK8NV FDA SRS
    73713 ChEBI
    60023283 NMRShiftDB
    1852-04-6 ACToR
    PD099475 ProbesDrugs
    138950-82-0 ACToR
    15390251 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.