Dataset

C.I. Pigment Red 22; ESI-QTOF; MS2; CE: 10; [M-H]-

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT000040 contains the MS2 mass spectrum of C.I. Pigment Red 22 with the InChIkey XYZMEPHFXJHGIX-CYYJNZCTSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H18N4O4/c1-15-11-12-18(28(31)32)14-21(15)26-27-22-19-10-6-5-7-16(19)13-20(23(22)29)24(30)25-17-8-3-2-4-9-17/h2-14,29H,1H3,(H,25,30)/b27-26+
SMILES CC1=CC=C(C=C1/N=N/C1=C(O)C(=CC2=CC=CC=C21)C(=O)NC1C=CC=CC=1)[N+]([O-])=O
InChI Key XYZMEPHFXJHGIX-CYYJNZCTSA-N
Molecular Formula C24H18N4O4
Exact Mass 426.133 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_AGILENT000040
Version
Author
Maintainer
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MetadataPublished 2023-05-02
Related Molecule
  • nfdi4chem-mol10024(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    6847954 surechembl
    80925 pubchem
    81W2C75HEQ fdasrs
    Molport-023-220-460 molport
    The data in this table is sourced from UniChem at EBI.