Dataset

Sinomenine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR308865 contains the MS2 mass spectrum of Sinomenine with the InChIkey INYYVPJSBIVGPH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3
SMILES COC1=CC2C3CC4=C(C(O)=C(OC)C=C4)C2(CCN3C)CC1=O
InChI Key INYYVPJSBIVGPH-UHFFFAOYSA-N
Molecular Formula C19H23NO4
Exact Mass 329.396 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-PR308865
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MetadataPublished 2019-03-28
Related Molecule
  • 3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    HMDB0258305 Human Metabolome Database
    CHEMBL1740706 ChEMBL
    10017679 NMRShiftDB
    36736299 eMolecules
    32447817 eMolecules
    416119 PubChem
    5149465 PubChem
    PD056183 ProbesDrugs
    181098 ChEBI
    SCHEMBL6123660 SureChEMBL
    The data in this table is sourced from UniChem at EBI.