Dataset

Dinoterb; LC-ESI-QTOF; MS2; 80 V

This MassBank record with Accession MSBNK-BAFG-CSL23111014230 contains the MS2 mass spectrum of Dinoterb with the InChIkey IIPZYDQGBIWLBU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3
SMILES CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O
InChI Key IIPZYDQGBIWLBU-UHFFFAOYSA-N
Molecular Formula C10H12N2O5
Exact Mass 240.075 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111014230
Version
Author
Maintainer
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MetadataPublished 2023-11-10
Related Molecule
  • 2-tert-butyl-4,6-dinitrophenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C18671 KEGG Ligand
    EYOZAT CCDC
    81883 ChEBI
    ZINC000001655733 ZINC
    DTXSID7041883 EPA CompTox Dashboard
    14994 PubChem
    1420-07-1 ACToR
    CHEMBL1994620 ChEMBL
    2O5H456CFI FDA SRS
    501713 eMolecules
    SCHEMBL53794 SureChEMBL
    MCULE-5591921524 Mcule
    The data in this table is sourced from UniChem at EBI.