Dataset

Koumine

This MassBank record with Accession MSBNK-RIKEN-PR300143 contains the MS2 mass spectrum of Koumine with the InChIkey VTLYEMHGPMGUOT-XMHJOAAQSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H22N2O/c1-3-19-11-22(2)16-9-20(19)13-6-4-5-7-15(13)21-18(20)17-8-14(19)12(16)10-23-17/h3-7,12,14,16-17H,1,8-11H2,2H3/t12-,14+,16-,17-,19-,20-/m0/s1
SMILES CN1C[C@@]2(C=C)[C@@H]3C[C@@H]4OC[C@@H]3[C@@H]1C[C@]21C4=NC2=CC=CC=C12
InChI Key VTLYEMHGPMGUOT-XMHJOAAQSA-N
Molecular Formula C20H22N2O
Exact Mass 306.409 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-PR300143
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:37:50.443025
MetadataModified 2025-02-09T18:31:44.920068
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
44583834 PubChem
ZINC000101715224 ZINC
PD071335 ProbesDrugs
CHEMBL522743 ChEMBL
The data in this table is sourced from UniChem at EBI.