Dataset

Tetrahydropalmatine; LC-ESI-QQQ; MS; [M+H]+

This MassBank record with Accession MSBNK-RIKEN_NPDepo-CB000099 contains the MS mass spectrum of Tetrahydropalmatine with the InChIkey AEQDJSLRWYMAQI-QGZVFWFLSA-N.

Chemical Information

Molecular Image
InChI InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m1/s1
SMILES COc1cc2c(cc1OC)[C@H]1Cc3ccc(OC)c(OC)c3CN1CC2
InChI Key AEQDJSLRWYMAQI-QGZVFWFLSA-N
Molecular Formula C21H25NO4
Exact Mass 355.438 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_NPDepo-CB000099
Version
Author
Maintainer
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MetadataPublished 2018-04-04
Related Molecule
  • (13aR)-2,3,9,10-tetramethoxy-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:228865 chebi
    P4V rcsb_pdb
    CHEMBL2334889 chembl
    2742488 surechembl
    29999115 surechembl
    969488 pubchem
    7BLG4NXS54 fdasrs
    PD125604 probes_and_drugs
    CUNRIO CCDC
    P4V pdbe
    DTXSID80359548 comptox
    Molport-001-728-103 molport
    The data in this table is sourced from UniChem at EBI.