Dataset

Bentazone; ESI-QTOF; MS2; CE: 20; [M-H]-

This MassBank record with Accession MSBNK-AGILENT-AG000062 contains the MS2 mass spectrum of Bentazone with the InChIkey ZOMSMJKLGFBRBS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3
SMILES CC(C)N1C(=O)C2C=CC=CC=2NS1(=O)=O
InChI Key ZOMSMJKLGFBRBS-UHFFFAOYSA-N
Molecular Formula C10H12N2O3S
Exact Mass 240.057 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AGILENT-AG000062
Version
Author
Maintainer
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MetadataPublished 2023-02-17
Related Molecule
  • 2,2-dioxo-3-propan-2-yl-1H-2lambda6,1,3-benzothiadiazin-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:3018 chebi
    CHEMBL1567045 chembl
    29379785 surechembl
    53939 surechembl
    2328 pubchem
    R4S7ZGZ9CT fdasrs
    FAXVAB CCDC
    135702 brenda
    135965 brenda
    HMDB0248965 hmdb
    Molport-003-665-444 molport
    The data in this table is sourced from UniChem at EBI.