Dataset

Dinoseb (Subitex); ESI-QTOF; MS2; CE: 40; [M-H]-

This MassBank record with Accession MSBNK-AGILENT-AG000019 contains the MS2 mass spectrum of Dinoseb (Subitex) with the InChIkey OWZPCEFYPSAJFR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3
SMILES CCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O
InChI Key OWZPCEFYPSAJFR-UHFFFAOYSA-N
Molecular Formula C10H12N2O5
Exact Mass 240.075 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-AG000019
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MetadataPublished 2023-02-17
Related Molecule
  • 2-butan-2-yl-4,6-dinitrophenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83632 chebi
    CHEMBL1892987 chembl
    29365762 surechembl
    54664 surechembl
    6950 pubchem
    123008 brenda
    221147 brenda
    55909 brenda
    YD44ZEM22M fdasrs
    HMDB0032559 hmdb
    The data in this table is sourced from UniChem at EBI.