Dataset

Tetrahydropapaveroline; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82235 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-BML82235
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
    36095718 eMolecules
    18519 PubChem
    60021004 NMRShiftDB
    14942583 PubChem: Thomson Pharma
    SCHEMBL221137 SureChEMBL
    4747-99-3 ACToR
    135255 Brenda
    30842 Brenda
    9300 Brenda
    MTBLC28770 Metabolights
    135778 Brenda
    MCULE-3376900525 Mcule
    V1EWJ6B8KY FDA SRS
    J24.850I Nikkaji
    50027331 BindingDB
    C06350 KEGG Ligand
    CHEMBL19068 ChEMBL
    28770 ChEBI
    The data in this table is sourced from UniChem at EBI.