Dataset

Carbazochrome sulfonate; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR300493 contains the MS2 mass spectrum of Carbazochrome sulfonate with the InChIkey OZCACMPSTYQSMM-SDQBBNPISA-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)/b12-6-
SMILES CN1C(CC2=C\C(=N\NC(O)=N)C(=O)C=C12)S(O)(=O)=O
InChI Key OZCACMPSTYQSMM-SDQBBNPISA-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-PR300493
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MetadataPublished 2019-03-28
Related Molecule
  • (5Z)-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
    PD063137 ProbesDrugs
    CARBAZOCHROME SODIUM SULFONATE clinicaltrials
    AC 17 clinicaltrials
    AC-17 clinicaltrials
    ADONA clinicaltrials
    70063-04-6 ACToR
    SCHEMBL9816914 SureChEMBL
    CHEMBL1697827 ChEMBL
    DB15969 DrugBank
    BMQ12812QR FDA SRS
    CARBAZOCHROME SODIUM SULFONATE rxnorm
    The data in this table is sourced from UniChem at EBI.