Dataset

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

This MassBank record with Accession MSBNK-Eawag-EQ01060152 contains the MS2 mass spectrum of Dalapon with the InChIkey NDUPDOJHUQKPAG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)
SMILES CC(C(=O)O)(Cl)Cl
InChI Key NDUPDOJHUQKPAG-UHFFFAOYSA-N
Molecular Formula C3H4Cl2O2
Exact Mass 141.959 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-EQ01060152
Version
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Maintainer
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MetadataPublished 2024-06-14
Related Molecule
  • 2,2-dichloropropanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:81859 chebi
    CHEMBL445525 chembl
    45164 surechembl
    6418 pubchem
    VO6PY8ZMRW fdasrs
    PD001935 probes_and_drugs
    184462 brenda
    48462 brenda
    48463 brenda
    Molport-002-501-737 molport
    The data in this table is sourced from UniChem at EBI.