Dataset

Koumidine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR304504 contains the MS2 mass spectrum of Koumidine with the InChIkey VXTDUGOBAOLMED-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H22N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,13,15,17-18,20,22H,7-10H2,1H3
SMILES CC=C1CN2C3CC4=C(NC5=CC=CC=C45)C2CC1C3CO
InChI Key VXTDUGOBAOLMED-UHFFFAOYSA-N
Molecular Formula C19H22N2O
Exact Mass 294.398 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-PR304504
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • (15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl)methanol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    626363 pubchem
    114535 brenda
    The data in this table is sourced from UniChem at EBI.