Dataset

Vasicinone

This MassBank record with Accession MSBNK-RIKEN-PR301384 contains the MS2 mass spectrum of Vasicinone with the InChIkey SDIVYZXRQHWCKF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H10N2O2/c14-9-5-6-13-10(9)12-8-4-2-1-3-7(8)11(13)15/h1-4,9,14H,5-6H2
SMILES OC1CCN2C1=NC1=CC=CC=C1C2=O
InChI Key SDIVYZXRQHWCKF-UHFFFAOYSA-N
Molecular Formula C11H10N2O2
Exact Mass 202.213 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-PR301384
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:57:16.510473
MetadataModified 2025-02-09T18:31:01.589261
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-4522491990 Mcule
2310394 eMolecules
PD045939 ProbesDrugs
SCHEMBL3892901 SureChEMBL
15487915 PubChem: Thomson Pharma
10242 PubChem
CHEMBL1864065 ChEMBL
J2.391.950H Nikkaji
HMDB0259770 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.