Dataset

Palmatine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR300640 contains the MS2 mass spectrum of Palmatine with the InChIkey QUCQEUCGKKTEBI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H22NO4/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/h5-6,9-12H,7-8H2,1-4H3/q+1
SMILES COC1=C(OC)C=C2C(CC[N+]3=C2C=C2C=CC(OC)=C(OC)C2=C3)=C1
InChI Key QUCQEUCGKKTEBI-UHFFFAOYSA-N
Molecular Formula [C21H22NO4]+
Exact Mass 352.410 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-PR300640
Version
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J12.970D Nikkaji
    LAXHEB CCDC
    50292332 BindingDB
    PALMATINE rxnorm
    HY-N0110A MedChemExpress
    DTXSID9048065 EPA CompTox Dashboard
    CHEMBL206106 ChEMBL
    C05315 KEGG Ligand
    16096 ChEBI
    ZINC000000608233 ZINC
    MTBLC16096 Metabolights
    5244 Brenda
    16096 Rhea
    CB6781763 ChemicalBook
    MCULE-8294668918 Mcule
    60026268 NMRShiftDB
    PD062349 ProbesDrugs
    G50C034217 FDA SRS
    LSM-6625 LINCS
    3486-67-7 ACToR
    SCHEMBL562120 SureChEMBL
    14953007 PubChem: Thomson Pharma
    19009 PubChem
    740794 eMolecules
    The data in this table is sourced from UniChem at EBI.