Dataset

Deoxyvasicinone

This MassBank record with Accession MSBNK-RIKEN-PR301179 contains the MS2 mass spectrum of Deoxyvasicinone with the InChIkey VARHXCYGZKSOOO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2
SMILES O=C1N2CCCC2=NC2=CC=CC=C12
InChI Key VARHXCYGZKSOOO-UHFFFAOYSA-N
Molecular Formula C11H10N2O
Exact Mass 186.214 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-PR301179
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:41:39.709127
MetadataModified 2025-02-09T18:39:44.261416
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C10659 KEGG Ligand
CHEMBL456881 ChEMBL
4435 ChEBI
DTXSID90201049 EPA CompTox Dashboard
50244216 BindingDB
J324.098C Nikkaji
TEFGEQ CCDC
ZINC000000226366 ZINC
CB41392612 ChemicalBook
1102738 eMolecules
68261 PubChem
15291700 PubChem: Thomson Pharma
530-53-0 ACToR
SCHEMBL864139 SureChEMBL
70636 Brenda
30100626 NMRShiftDB
MCULE-8877508828 Mcule
The data in this table is sourced from UniChem at EBI.