Dataset

Bentazone; ESI-QTOF; MS2; CE: 10; [M-H]-

This MassBank record with Accession MSBNK-AGILENT-AG000063 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-AG000063
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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
    J1.875I Nikkaji
    HMDB0248965 Human Metabolome Database
    DTXSID0023901 EPA CompTox Dashboard
    FAXVAB CCDC
    HY-B2039 MedChemExpress
    3018 ChEBI
    135702 Brenda
    C10965 KEGG Ligand
    CHEMBL1567045 ChEMBL
    R4S7ZGZ9CT FDA SRS
    LSM-20931 LINCS
    14843960 PubChem: Thomson Pharma
    25057-89-0 ACToR
    12705-05-4 ACToR
    509566 eMolecules
    SCHEMBL53939 SureChEMBL
    2328 PubChem
    20209213 NMRShiftDB
    ZINC000095630288 ZINC
    135965 Brenda
    CB7235319 ChemicalBook
    The data in this table is sourced from UniChem at EBI.