Dataset

Clofedanol; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+

This MassBank record with Accession MSBNK-MSSJ-MSJ03003 contains the MS2 mass spectrum of Clofedanol with the InChIkey WRCHFMBCVFFYEQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3
SMILES CN(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2Cl)O
InChI Key WRCHFMBCVFFYEQ-UHFFFAOYSA-N
Molecular Formula C17H20ClNO
Exact Mass 289.123 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-MSSJ-MSJ03003
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MetadataPublished 2023-04-05
Related Molecule
  • 1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB04837 drugbank
    CHEBI:135207 chebi
    CHEMBL1201313 chembl
    29734 surechembl
    2795 pubchem
    42C50P12AP fdasrs
    7324 gtopdb
    PD009367 probes_and_drugs
    HMDB0015585 hmdb
    585 drugcentral
    The data in this table is sourced from UniChem at EBI.