Dataset

Carbadox; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU117504 contains the MS2 mass spectrum of Carbadox with the InChIkey OVGGLBAWFMIPPY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7H,1H3,(H,13,16)
SMILES COC(=O)NN=CC1=[N+](C2=CC=CC=C2[N+](=C1)[O-])[O-]
InChI Key OVGGLBAWFMIPPY-UHFFFAOYSA-N
Molecular Formula C11H10N4O4
Exact Mass 262.070 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-Athens_Univ-AU117504
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MetadataPublished 2015-09-23
Related Molecule
  • methyl N-[(1,4-dioxidoquinoxaline-1,4-diium-2-yl)methylideneamino]carbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10762495 surechembl
    27092610 surechembl
    135403805 pubchem
    M2X04R2E2Y fdasrs
    PD067313 probes_and_drugs
    HMDB0259619 hmdb
    5657 drugcentral
    The data in this table is sourced from UniChem at EBI.