Dataset

Chelidonine; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00622 contains the MS2 mass spectrum of Chelidonine with the InChIkey GHKISGDRQRSCII-ZOCIIQOWSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1
SMILES CN1CC2=C(C=CC3=C2OCO3)[C@@H]4[C@H]1C5=CC6=C(C=C5C[C@@H]4O)OCO6
InChI Key GHKISGDRQRSCII-ZOCIIQOWSA-N
Molecular Formula C20H19NO5
Exact Mass 353.126 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-BML00622
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (1S,12S,13R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:31389 chebi
    CHEMBL496867 chembl
    29387014 surechembl
    563820 surechembl
    197810 pubchem
    4UDG3LY0GT fdasrs
    8K7EK8446J fdasrs
    PD078837 probes_and_drugs
    VIGFEW CCDC
    174640 brenda
    51170646 bindingdb
    Molport-001-742-071 molport
    The data in this table is sourced from UniChem at EBI.