Dataset

Tetrahydropapaveroline; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82236 contains the MS mass spectrum of Tetrahydropapaveroline with the InChIkey ABXZOXDTHTTZJW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2
SMILES C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC(=C(C=C3)O)O
InChI Key ABXZOXDTHTTZJW-UHFFFAOYSA-N
Molecular Formula C16H17NO4
Exact Mass 287.116 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-BML82236
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:28770 chebi
    CHEMBL19068 chembl
    221137 surechembl
    29375567 surechembl
    18519 pubchem
    V1EWJ6B8KY fdasrs
    PD218782 probes_and_drugs
    135255 brenda
    135778 brenda
    186347 brenda
    30842 brenda
    9300 brenda
    Molport-004-964-935 molport
    50027331 bindingdb
    The data in this table is sourced from UniChem at EBI.