Dataset

Vasicinone; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR301380 contains the MS2 mass spectrum of Vasicinone with the InChIkey SDIVYZXRQHWCKF-UHFFFAOYSA-N.

Chemical Information

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

VasicinoneHTML

Go to source

Related Molecule ⌄

3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

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-PR301380
Version
Author
Maintainer
Language
MetadataPublished	2019-03-28
Related Molecule	3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

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.