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
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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
    6418 PubChem
    PD001935 ProbesDrugs
    15363650 PubChem: Thomson Pharma
    75-99-0 ACToR
    VO6PY8ZMRW FDA SRS
    492051 eMolecules
    SCHEMBL45164 SureChEMBL
    20201348 NMRShiftDB
    48463 Brenda
    48462 Brenda
    81859 ChEBI
    MCULE-8201912740 Mcule
    DTXSID2021575 EPA CompTox Dashboard
    ZINC000001686875 ZINC
    J2.399J Nikkaji
    CB7854251 ChemicalBook
    CHEMBL445525 ChEMBL
    C18600 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.