Dataset

Acid Orange 156; ESI-QTOF; MS2; CE: 10; [M-H]-

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT001256 contains the MS2 mass spectrum of Acid Orange 156 with the InChIkey DTRJDURRPWBDEY-BQASJOSNSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H20N4O5S/c1-14-12-20(25-23-15-4-8-17(29-2)9-5-15)21(30-3)13-19(14)24-22-16-6-10-18(11-7-16)31(26,27)28/h4-13H,1-3H3,(H,26,27,28)/b24-22+,25-23+
SMILES CC1=CC(/N=N/C2C=CC(=CC=2)OC)=C(C=C1/N=N/C1C=CC(=CC=1)S(O)(=O)=O)OC
InChI Key DTRJDURRPWBDEY-BQASJOSNSA-N
Molecular Formula C21H20N4O5S
Exact Mass 440.115 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_AGILENT001256
Version
Author
Maintainer
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MetadataPublished 2023-09-19
Related Molecule
  • nfdi4chem-mol45877(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3306351 chembl
    50218 pubchem
    65J4D91A2X fdasrs
    The data in this table is sourced from UniChem at EBI.