Dataset

Clonidine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU272003 contains the MS2 mass spectrum of Clonidine with the InChIkey GJSURZIOUXUGAL-UHFFFAOYSA-N.

Chemical Information

molecular Image
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 ClC1=CC=CC(Cl)=C1NC1=NCCN1
InChI Key GJSURZIOUXUGAL-UHFFFAOYSA-N
Molecular Formula C9H9Cl2N3
Exact Mass 229.017 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU272003
Version
Author
Maintainer
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MetadataPublished 2019-05-30
Related Molecule
  • N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID6022846 EPA CompTox Dashboard
    50016897 BindingDB
    MUFBUK CCDC
    J9.618K Nikkaji
    704 DrugCentral
    HY-12721 MedChemExpress
    CLONIDINE HYDROCHLORIDE clinicaltrials
    CLONIDINE clinicaltrials
    DURACLON clinicaltrials
    ST-155 clinicaltrials
    KAPVAY clinicaltrials
    JENLOGA clinicaltrials
    CLORPRES rxnorm
    DURACLON rxnorm
    KAPVAY rxnorm
    CLONIDINE HYDROCHLORIDE rxnorm
    CLONIDINE rxnorm
    CATAPRES rxnorm
    CLONIDINE DailyMed
    14062 BindingDB
    50225285 BindingDB
    DB00575 DrugBank
    CLU PDBe
    CHEMBL134 ChEMBL
    3757 ChEBI
    46632 ChEBI
    516 Guide to Pharmacology
    MCULE-5017779690 Mcule
    ZINC000000896484 ZINC
    CB6505769 ChemicalBook
    clonidine DailyMed
    HMDB0014714 Human Metabolome Database
    13274 Brenda
    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
    969274 eMolecules
    The data in this table is sourced from UniChem at EBI.