Dataset

(+)-Corydaline; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR301115 contains the MS2 mass spectrum of (+)-Corydaline with the InChIkey VRSRXLJTYQVOHC-YEJXKQKISA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H27NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-11,13,21H,8-9,12H2,1-5H3/t13-,21+/m0/s1
SMILES COC1=C(OC)C=C2[C@H]3[C@@H](C)C4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
InChI Key VRSRXLJTYQVOHC-YEJXKQKISA-N
Molecular Formula C22H27NO4
Exact Mass 369.461 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-PR301115
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • (13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:14027 chebi
    CHEMBL2165401 chembl
    230676 surechembl
    29458891 surechembl
    30000015 surechembl
    101301 pubchem
    08N392L8VX fdasrs
    6MUC9717YK fdasrs
    PD063730 probes_and_drugs
    32869 brenda
    Molport-001-740-784 molport
    The data in this table is sourced from UniChem at EBI.