Dataset

Corynanthine; LC-APCI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80978 contains the MS mass spectrum of Corynanthine with the InChIkey BLGXFZZNTVWLAY-DKJBZYCGSA-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/t12-,15-,17-,18-,19-/m0/s1
SMILES COC(=O)[C@@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O
InChI Key BLGXFZZNTVWLAY-DKJBZYCGSA-N
Molecular Formula C21H26N2O3
Exact Mass 354.194 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-BML80978
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • methyl (1S,15R,18S,19S,20S)-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
    60026221 NMRShiftDB
    16831155 PubChem: Thomson Pharma
    PD051114 ProbesDrugs
    F5Z7C9RK8U FDA SRS
    92766 PubChem
    LSM-2124 LINCS
    536008 eMolecules
    ZINC000003861548 ZINC
    MTBLC92122 Metabolights
    SCHEMBL178061 SureChEMBL
    CHEMBL31410 ChEMBL
    J5.984F Nikkaji
    50027058 BindingDB
    5345 Guide to Pharmacology
    92122 ChEBI
    CB0387136 ChemicalBook
    The data in this table is sourced from UniChem at EBI.