Dataset

Corynanthine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR304933 contains the MS2 mass spectrum of Corynanthine with the InChIkey BLGXFZZNTVWLAY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3
SMILES COC(=O)C1C(O)CCC2CN3CCC4=C(NC5=CC=CC=C45)C3CC12
InChI Key BLGXFZZNTVWLAY-UHFFFAOYSA-N
Molecular Formula C21H26N2O3
Exact Mass 354.450 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR304933
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • methyl 18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MTBLC48565 Metabolights
    SCHEMBL564022 SureChEMBL
    MCULE-4993391700 Mcule
    10022931 NMRShiftDB
    LSM-1614 LINCS
    549-84-8 ACToR
    483-10-3 ACToR
    2866 PubChem
    PD045389 ProbesDrugs
    730420 eMolecules
    CHEMBL1531132 ChEMBL
    48565 ChEBI
    86230 BindingDB
    J23.898H Nikkaji
    HMDB0250478 Human Metabolome Database
    ZZZSHG CCDC
    The data in this table is sourced from UniChem at EBI.