Dataset

Koumidine

This MassBank record with Accession MSBNK-RIKEN-PR300105 contains the MS2 mass spectrum of Koumidine with the InChIkey VXTDUGOBAOLMED-CPEJFPLXSA-N.

Chemical Info

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/b11-2+/t13-,15+,17+,18+/m1/s1
SMILES C\C=C1/CN2[C@H]3CC4=C(NC5=CC=CC=C45)[C@@H]2C[C@H]1[C@@H]3CO
InChI Key VXTDUGOBAOLMED-CPEJFPLXSA-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-PR300105
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:41:40.327864
MetadataModified 2024-01-11T20:41:40.485704
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
60050479 NMRShiftDB
44584550 PubChem
ZINC000101620892 ZINC
CHEMBL477697 ChEMBL
The data in this table is sourced from UniChem at EBI.