Dataset

Carbazochrome sulfonate; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR304777 contains the MS2 mass spectrum of Carbazochrome sulfonate with the InChIkey OZCACMPSTYQSMM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12N4O5S/c1-14-7-4-8(15)6(12-13-10(11)16)2-5(7)3-9(14)20(17,18)19/h2,4,9H,3H2,1H3,(H3,11,13,16)(H,17,18,19)
SMILES CN1C(CC2=CC(=NNC(O)=N)C(=O)C=C12)S(O)(=O)=O
InChI Key OZCACMPSTYQSMM-UHFFFAOYSA-N
Molecular Formula C10H12N4O5S
Exact Mass 300.294 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR304777
Version
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 5-(carbamoylhydrazinylidene)-1-methyl-6-oxo-2,3-dihydroindole-2-sulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PD034215 ProbesDrugs
    CHEMBL2365670 ChEMBL
    DTXSID80860629 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.