Dataset

C.I. Acid Red 88; ESI-QTOF; MS2; CE: 20; [M-H]-

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT000386 contains the MS2 mass spectrum of C.I. Acid Red 88 with the InChIkey JSAKRLDIZOGQTN-QURGRASLSA-N.

Chemical Information

Molecular Image
InChI InChI=1S/C20H14N2O4S/c23-18-11-9-13-5-1-2-6-14(13)20(18)22-21-17-10-12-19(27(24,25)26)16-8-4-3-7-15(16)17/h1-12,23H,(H,24,25,26)/b22-21+
SMILES OC1=CC=C2C=CC=CC2=C1/N=N/C1C=CC(=C2C=CC=CC=12)S(O)(=O)=O
InChI Key JSAKRLDIZOGQTN-QURGRASLSA-N
Molecular Formula C20H14N2O4S
Exact Mass 378.067 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_AGILENT000386
Version
Author
Maintainer
Language
MetadataPublished 2023-05-02
Related Molecule
  • nfdi4chem-mol52632(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    RE8 rcsb_pdb
    CHEMBL122275 chembl
    6763835 surechembl
    15454 pubchem
    RE8 pdbe
    DTXSID2047010 comptox
    The data in this table is sourced from UniChem at EBI.