Dataset

Gardnutine

This MassBank record with Accession MSBNK-RIKEN-PR304575 contains the MS2 mass spectrum of Gardnutine with the InChIkey XJTWLFBHBFSVRS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H22N2O2/c1-3-10-8-22-16-7-13(10)14-9-24-20(19(14)22)17-12-5-4-11(23-2)6-15(12)21-18(16)17/h3-6,13-14,16,19-21H,7-9H2,1-2H3
SMILES COC1=CC2=C(C=C1)C1=C(N2)C2CC3C4COC1C4N2CC3=CC
InChI Key XJTWLFBHBFSVRS-UHFFFAOYSA-N
Molecular Formula C20H22N2O2
Exact Mass 322.408 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-PR304575
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 5-ethylidene-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-tetraene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    182652 ChEBI
    72811236 PubChem
    The data in this table is sourced from UniChem at EBI.