Dataset

Apraclonidine; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01078301 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-EQ01078301
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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
    DB00964 drugbank
    CHEBI:2788 chebi
    CHEMBL647 chembl
    34127 surechembl
    34128 surechembl
    2216 pubchem
    843CEN85DI fdasrs
    7117 gtopdb
    PD009614 probes_and_drugs
    HMDB0015099 hmdb
    229 drugcentral
    50021812 bindingdb
    81926 bindingdb
    The data in this table is sourced from UniChem at EBI.