Dataset

C.I. Acid Orange 24; ESI-QTOF; MS2; CE: 40; [M-H]-

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT001639 contains the MS2 mass spectrum of C.I. Acid Orange 24 with the InChIkey SQOXGXCYIDDLGW-MBALSZOMSA-N.

Chemical Information

Molecular Image
InChI InChI=1S/C20H18N4O5S/c1-12-3-8-16(13(2)11-12)22-24-19-18(25)10-9-17(20(19)26)23-21-14-4-6-15(7-5-14)30(27,28)29/h3-11,25-26H,1-2H3,(H,27,28,29)/b23-21+,24-22+
SMILES CC1=CC(C)=CC=C1/N=N/C1C(O)=C(C=CC=1O)/N=N/C1C=CC(=CC=1)S(O)(=O)=O
InChI Key SQOXGXCYIDDLGW-MBALSZOMSA-N
Molecular Formula C20H18N4O5S
Exact Mass 426.100 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-EPA-ENTACT_AGILENT001639
Version
Author
Maintainer
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MetadataPublished 2023-09-19
Related Molecule
  • nfdi4chem-mol54827(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL2110699 chembl
    110506 surechembl
    31650975 surechembl
    PD203274 probes_and_drugs
    The data in this table is sourced from UniChem at EBI.