Dataset

Cytisine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00001 contains the MS2 mass spectrum of Cytisine with the InChIkey ANJTVLIZGCUXLD-DTWKUNHWSA-N.

Chemical Info

InChI	InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1
SMILES	C1[C@H]2CNC[C@@H]1C3=CC=CC(=O)N3C2
InChI Key	ANJTVLIZGCUXLD-DTWKUNHWSA-N
Molecular Formula	C11H14N2O
Exact Mass	190.111 g/mol

Data and Resources

CytisineHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00001
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:21:41.067370
MetadataModified	2024-01-11T22:21:41.236689
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-8680446527	Mcule
C5E	PDBe
3728-36-7	ACToR
60025382	NMRShiftDB
LSM-25650	LINCS
PD009400	ProbesDrugs
16325148	PubChem: Thomson Pharma
Cytisine(Baphitoxine,-Sophorine)	Selleck
4055	ChEBI
15899404	PubChem: Thomson Pharma
SCHEMBL161398	SureChEMBL
704313	eMolecules
5347	Guide to Pharmacology
10235	PubChem
DTXSID00883395	EPA CompTox Dashboard
MTBLC4055	Metabolights
5217	DrugCentral
CB1136805	ChemicalBook
CHEMBL497939	ChEMBL
HY-N0175	MedChemExpress
TABEX	clinicaltrials
FITPIH	CCDC
DB09028	DrugBank
CYTITON	clinicaltrials
53S5U404NU	FDA SRS
CYTISINE	clinicaltrials
CYTISINE	rxnorm
J9.571K	Nikkaji
CYTISINICLINE	clinicaltrials
ZINC000001599730	ZINC
The data in this table is sourced from UniChem at EBI.