Dataset

Clomeprop; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

This MassBank record with Accession MSBNK-Waters-WA000058 contains the MS2 mass spectrum of Clomeprop with the InChIkey BDQWWOHKFDSADC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H15Cl2NO2/c1-10-13(17)8-9-14(15(10)18)21-11(2)16(20)19-12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,19,20)
SMILES O=C(Nc(c2)cccc2)C(C)Oc(c1)c(Cl)c(C)c(Cl)c1
InChI Key BDQWWOHKFDSADC-UHFFFAOYSA-N
Molecular Formula C16H15Cl2NO2
Exact Mass 323.048 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000058
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-(2,4-dichloro-3-methylphenoxy)-N-phenylpropanamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    93482 PubChem
    96043703 PubChem: Thomson Pharma
    SCHEMBL55118 SureChEMBL
    84496-56-0 ACToR
    J153.992B Nikkaji
    DTXSID0058198 EPA CompTox Dashboard
    JP56V79AFJ FDA SRS
    The data in this table is sourced from UniChem at EBI.