Dataset

Bromacil; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00026601 contains the MS2 mass spectrum of Bromacil with the InChIkey CTSLUCNDVMMDHG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)
SMILES CCC(C)N1C(=O)NC(C)=C(Br)C1=O
InChI Key CTSLUCNDVMMDHG-UHFFFAOYSA-N
Molecular Formula C9H13BrN2O2
Exact Mass 260.016 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-EQ00026601
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MetadataPublished 2024-06-14
Related Molecule
  • 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83658 chebi
    CHEMBL1877125 chembl
    27523107 surechembl
    53954 surechembl
    9411 pubchem
    I048FFR2J0 fdasrs
    PD078889 probes_and_drugs
    Molport-003-933-000 molport
    The data in this table is sourced from UniChem at EBI.