Dataset

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

This MassBank record with Accession MSBNK-Eawag-EQ00026651 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-EQ00026651
Version
Author
Maintainer
Language
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
    CHEMBL1877125 ChEMBL
    C10911 KEGG Ligand
    83658 ChEBI
    J8.594D Nikkaji
    I048FFR2J0 FDA SRS
    DTXSID4022020 EPA CompTox Dashboard
    14798971 PubChem: Thomson Pharma
    CB7381577 ChemicalBook
    9411 PubChem
    8027-85-8 ACToR
    314-40-9 ACToR
    PD078889 ProbesDrugs
    SCHEMBL53954 SureChEMBL
    508481 eMolecules
    The data in this table is sourced from UniChem at EBI.