Dataset

(6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3-carbaldehyde; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00783 contains the MS2 mass spectrum of (6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3-carbaldehyde with the InChIkey CLSKRRFGIZCINS-INIZCTEOSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H25NO5/c1-23-7-6-13-15(11-24)21(27-4)22(28-5)20-14-10-18(26-3)17(25-2)9-12(14)8-16(23)19(13)20/h9-11,16H,6-8H2,1-5H3/t16-/m0/s1
SMILES CN1CCC2=C(C(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC)C=O
InChI Key CLSKRRFGIZCINS-INIZCTEOSA-N
Molecular Formula C22H25NO5
Exact Mass 383.173 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00783
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3-carbaldehyde
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    11908466 PubChem
    SCHEMBL14029493 SureChEMBL
    ZINC000020518284 ZINC
    26800600 eMolecules
    182182 ChEBI
    CHEMBL1560685 ChEMBL
    The data in this table is sourced from UniChem at EBI.