Dataset

Papaverine; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA002548 contains the MS 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 COc(c3)c(OC)cc(c3)Cc(n2)c(c1)c(cc2)cc(OC)c(OC)1
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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002548
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
    4680 PubChem
    PAPAVERINE DailyMed
    PAPAVERINE rxnorm
    PAPAVERINE HYDROCHLORIDE rxnorm
    PAPAVERINE HYDROCHLORIDE clinicaltrials
    PAPAVERINE clinicaltrials
    14754 BindingDB
    2056 DrugCentral
    ZINC000000056555 ZINC
    J10.638K Nikkaji
    MVERIQ CCDC
    DTXSID4023418 EPA CompTox Dashboard
    CHEMBL19224 ChEMBL
    EV1 PDBe
    C06533 KEGG Ligand
    DB01113 DrugBank
    70552 Brenda
    HMDB0015245 Human Metabolome Database
    papaverine DailyMed
    MTBLC28241 Metabolights
    1540 Brenda
    10017664 NMRShiftDB
    28241 ChEBI
    MCULE-9598291893 Mcule
    PD009799 ProbesDrugs
    papaverine Atlas
    DAA13NKG2Q FDA SRS
    LSM-2338 LINCS
    14875623 PubChem: Thomson Pharma
    SCHEMBL34702 SureChEMBL
    PA164745550 PharmGKB
    58-74-2 ACToR
    872780 eMolecules
    The data in this table is sourced from UniChem at EBI.