Dataset

Clonidine

This MassBank record with Accession MSBNK-Waters-WA001297 contains the MS mass spectrum of Clonidine with the InChIkey GJSURZIOUXUGAL-UHFFFAOYSA-N.

InChI	InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
SMILES	Clc(c1)c(N=C(N2)NCC2)c(Cl)cc1
InChI Key	GJSURZIOUXUGAL-UHFFFAOYSA-N
Molecular Formula	C9H9Cl2N3
Exact Mass	229.017 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001297
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:50:49.488601
MetadataModified	2024-01-11T22:50:49.662801
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL134	ChEMBL
46632	ChEBI
3757	ChEBI
516	Guide to Pharmacology
CLU	PDBe
DB00575	DrugBank
969274	eMolecules
DURACLON	clinicaltrials
ST-155	clinicaltrials
DTXSID6022846	EPA CompTox Dashboard
704	DrugCentral
ZINC000000896484	ZINC
MUFBUK	CCDC
50016897	BindingDB
CLONIDINE	DailyMed
KAPVAY	rxnorm
DURACLON	rxnorm
CLORPRES	rxnorm
CATAPRES	rxnorm
CLONIDINE	rxnorm
CLONIDINE HYDROCHLORIDE	rxnorm
KAPVAY	clinicaltrials
JENLOGA	clinicaltrials
CLONIDINE	clinicaltrials
CLONIDINE HYDROCHLORIDE	clinicaltrials
HY-12721	MedChemExpress
CB6505769	ChemicalBook
clonidine	DailyMed
HMDB0014714	Human Metabolome Database
50225285	BindingDB
13274	Brenda
14062	BindingDB
J9.618K	Nikkaji
MCULE-5017779690	Mcule
2803	PubChem
PD009910	ProbesDrugs
MN3L5RMN02	FDA SRS
LSM-4223	LINCS
14822899	PubChem: Thomson Pharma
SCHEMBL5982	SureChEMBL
PA449051	PharmGKB
15172366	PubChem: Thomson Pharma
4205-90-7	ACToR
The data in this table is sourced from UniChem at EBI.