Dataset

Vasicine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR301219 contains the MS2 mass spectrum of Vasicine with the InChIkey YIICVSCAKJMMDJ-SNVBAGLBSA-N.

Chemical Information

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

VasicineHTML

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Related Molecule ⌄

(3R)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol

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-PR301219
Version
Author
Maintainer
Language
MetadataPublished	2019-03-28
Related Molecule	(3R)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
ZINC000018286095	ZINC
APICIM	CCDC
7949	ChEBI
J8.351H	Nikkaji
DTXSID90332009	EPA CompTox Dashboard
CHEMBL1456364	ChEMBL
C10733	KEGG Ligand
MCULE-6161987421	Mcule
MCULE-6170633151	Mcule
60021270	NMRShiftDB
442929	PubChem
1936123	eMolecules
The data in this table is sourced from UniChem at EBI.