Dataset

Hydroxygardnutine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR300144 contains the MS2 mass spectrum of Hydroxygardnutine with the InChIkey OUONWRIEOZGMSQ-NUUNSNFRSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H22N2O3/c1-24-11-2-3-12-15(6-11)21-18-16-7-13-10(4-5-23)8-22(16)19-14(13)9-25-20(19)17(12)18/h2-4,6,13-14,16,19-21,23H,5,7-9H2,1H3/b10-4-/t13-,14-,16-,19+,20+/m0/s1
SMILES COC1=CC2=C(C=C1)C1=C(N2)[C@@H]2C[C@@H]3[C@@H]4CO[C@H]1[C@@H]4N2C\C3=C\CO
InChI Key OUONWRIEOZGMSQ-NUUNSNFRSA-N
Molecular Formula C20H22N2O3
Exact Mass 338.407 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR300144
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • (2E)-2-[(2S,4R,8R,9S,12R)-17-methoxy-11-oxa-7,20-diazahexacyclo[11.7.0.02,7.04,9.08,12.014,19]icosa-1(13),14(19),15,17-tetraen-5-ylidene]ethanol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000238761933 ZINC
    J3.500.604D Nikkaji
    132557742 PubChem
    The data in this table is sourced from UniChem at EBI.