Dataset

Dehydroglaucine; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81065 contains the MS mass spectrum of Dehydroglaucine with the InChIkey RZUHGAKUNBFQJS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H23NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h8-11H,6-7H2,1-5H3
SMILES CN1CCC2=CC(=C(C3=C4C=C(C(=CC4=CC1=C23)OC)OC)OC)OC
InChI Key RZUHGAKUNBFQJS-UHFFFAOYSA-N
Molecular Formula C21H23NO4
Exact Mass 353.163 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-BML81065
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J413.411G Nikkaji
    ZINC000001092562 ZINC
    WEGZUE CCDC
    DTXSID30176762 EPA CompTox Dashboard
    MCULE-9517315258 Mcule
    CHEMBL1412163 ChEMBL
    6854289 eMolecules
    398788 PubChem
    60059216 NMRShiftDB
    99222092 PubChem: Thomson Pharma
    22212-26-6 ACToR
    SCHEMBL14029309 SureChEMBL
    The data in this table is sourced from UniChem at EBI.