Dataset

Cytisine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81037 contains the MS 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

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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-BML81037
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:21:27.671173
MetadataModified	2025-02-09T20:06:28.232179
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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