Dataset

Dodemorph; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU258704 contains the MS2 mass spectrum of Dodemorph with the InChIkey JMXKCYUTURMERF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H35NO/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18/h16-18H,3-15H2,1-2H3
SMILES CC1CN(CC(C)O1)C1CCCCCCCCCCC1
InChI Key JMXKCYUTURMERF-UHFFFAOYSA-N
Molecular Formula C18H35NO
Exact Mass 281.272 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-Athens_Univ-AU258704
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Maintainer
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MetadataPublished 2019-05-29
Related Molecule
  • 4-cyclododecyl-2,6-dimethylmorpholine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J9.505B Nikkaji
    CB6728739 ChemicalBook
    DTXSID5041019 EPA CompTox Dashboard
    C18786 KEGG Ligand
    SCHEMBL29393 SureChEMBL
    16888283 PubChem: Thomson Pharma
    1593-77-7 ACToR
    81960 ChEBI
    509780 eMolecules
    61899 PubChem
    The data in this table is sourced from UniChem at EBI.