Dataset

Papaverine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00076 contains the MS2 mass spectrum of Papaverine with the InChIkey XQYZDYMELSJDRZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
SMILES COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC
InChI Key XQYZDYMELSJDRZ-UHFFFAOYSA-N
Molecular Formula C20H21NO4
Exact Mass 339.147 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-BML00076
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01113 drugbank
    CHEBI:28241 chebi
    EV1 rcsb_pdb
    CHEMBL19224 chembl
    29360983 surechembl
    29387160 surechembl
    34702 surechembl
    4680 pubchem
    DAA13NKG2Q fdasrs
    13147 gtopdb
    PD009799 probes_and_drugs
    MVERIQ CCDC
    1540 brenda
    70552 brenda
    HMDB0015245 hmdb
    Molport-000-881-409 molport
    2056 drugcentral
    14754 bindingdb
    The data in this table is sourced from UniChem at EBI.