Dataset

Deoxyvasicinone; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR301183 contains the MS2 mass spectrum of Deoxyvasicinone with the InChIkey VARHXCYGZKSOOO-UHFFFAOYSA-N.

Chemical Information

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

DeoxyvasicinoneHTML

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Related Molecule ⌄

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-PR301183
Version
Author
Maintainer
Language
MetadataPublished	2019-03-28
Related Molecule	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
CHEBI:4435	chebi
CHEMBL456881	chembl
29359475	surechembl
864139	surechembl
68261	pubchem
PD207362	probes_and_drugs
TEFGEQ	CCDC
70636	brenda
DTXSID90201049	comptox
Molport-000-489-741	molport
50244216	bindingdb
The data in this table is sourced from UniChem at EBI.