Dataset

Vasicine

This MassBank record with Accession MSBNK-RIKEN-PR301227 contains the MS2 mass spectrum of Vasicine with the InChIkey YIICVSCAKJMMDJ-SNVBAGLBSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2/t10-/m1/s1
SMILES O[C@@H]1CCN2CC3=CC=CC=C3N=C12
InChI Key YIICVSCAKJMMDJ-SNVBAGLBSA-N
Molecular Formula C11H12N2O
Exact Mass 188.230 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-PR301227
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:51.284421
MetadataModified 2024-01-11T20:42:51.446728
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C10733 KEGG Ligand
CHEMBL1456364 ChEMBL
1936123 eMolecules
ZINC000018286095 ZINC
DTXSID90332009 EPA CompTox Dashboard
7949 ChEBI
J8.351H Nikkaji
MCULE-6170633151 Mcule
MCULE-6161987421 Mcule
APICIM CCDC
60021270 NMRShiftDB
442929 PubChem
The data in this table is sourced from UniChem at EBI.