Dataset

MCPB; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00271002 contains the MS2 mass spectrum of MCPB with the InChIkey LLWADFLAOKUBDR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)
SMILES CC1=C(OCCCC(O)=O)C=CC(Cl)=C1
InChI Key LLWADFLAOKUBDR-UHFFFAOYSA-N
Molecular Formula C11H13ClO3
Exact Mass 228.055 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-EQ00271002
Version
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Maintainer
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MetadataPublished 2024-06-14
Related Molecule
  • 4-(4-chloro-2-methylphenoxy)butanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:81806 chebi
    CHEMBL3187228 chembl
    117879 surechembl
    29355091 surechembl
    7207 pubchem
    OA1Z4N1842 fdasrs
    The data in this table is sourced from UniChem at EBI.