Dataset

Cytisine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00027 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

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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-BML00027
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:28:26.796582
MetadataModified	2024-01-11T22:28:27.023927
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
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
FITPIH	CCDC
J9.571K	Nikkaji
5217	DrugCentral
5347	Guide to Pharmacology
CB1136805	ChemicalBook
10235	PubChem
MTBLC4055	Metabolights
DTXSID00883395	EPA CompTox Dashboard
CYTISINE	clinicaltrials
ZINC000001599730	ZINC
HY-N0175	MedChemExpress
53S5U404NU	FDA SRS
TABEX	clinicaltrials
DB09028	DrugBank
CYTITON	clinicaltrials
CYTISINICLINE	clinicaltrials
CYTISINE	rxnorm
704313	eMolecules
CHEMBL497939	ChEMBL
The data in this table is sourced from UniChem at EBI.