Dataset

Yohimbinic acid; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82361 contains the MS mass spectrum of Yohimbinic acid with the InChIkey AADVZSXPNRLYLV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H24N2O3/c23-17-6-5-11-10-22-8-7-13-12-3-1-2-4-15(12)21-19(13)16(22)9-14(11)18(17)20(24)25/h1-4,11,14,16-18,21,23H,5-10H2,(H,24,25)
SMILES C1CC(C(C2C1CN3CCC4=C(C3C2)NC5=CC=CC=C45)C(=O)O)O
InChI Key AADVZSXPNRLYLV-UHFFFAOYSA-N
Molecular Formula C20H24N2O3
Exact Mass 340.179 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-BML82361
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    3382490 PubChem
    PD029303 ProbesDrugs
    SCHEMBL1691213 SureChEMBL
    630921 PubChem
    The data in this table is sourced from UniChem at EBI.