Dataset

Apraclonidine; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01078305 contains the MS2 mass spectrum of Apraclonidine with the InChIkey IEJXVRYNEISIKR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)
SMILES C1CN=C(N1)NC2=C(C=C(C=C2Cl)N)Cl
InChI Key IEJXVRYNEISIKR-UHFFFAOYSA-N
Molecular Formula C9H10Cl2N4
Exact Mass 244.028 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01078305
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MetadataPublished 2024-06-14
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C07668 KEGG Ligand
    2788 ChEBI
    DB00964 DrugBank
    CHEMBL647 ChEMBL
    APRACLONIDINE DailyMed
    APRACLONIDINE HYDROCHLORIDE rxnorm
    IOPIDINE rxnorm
    APRACLONIDINE rxnorm
    IOPIDINE clinicaltrials
    APRACLONIDINE clinicaltrials
    81926 BindingDB
    DTXSID1048415 EPA CompTox Dashboard
    229 DrugCentral
    ZINC000000020231 ZINC
    7117 Guide to Pharmacology
    J247.956G Nikkaji
    50021812 BindingDB
    APRACLONIDINE HYDROCHLORIDE clinicaltrials
    PA164748866 PharmGKB
    apraclonidine DailyMed
    HMDB0015099 Human Metabolome Database
    2216 PubChem
    PD009614 ProbesDrugs
    843CEN85DI FDA SRS
    16363243 PubChem: Thomson Pharma
    SCHEMBL34127 SureChEMBL
    14749680 PubChem: Thomson Pharma
    66711-21-5 ACToR
    The data in this table is sourced from UniChem at EBI.