Dataset

Disperse Red 1; LC-ESI-QTOF; MS2; 60 V

This MassBank record with Accession MSBNK-BAFG-CSL23111027621 contains the MS2 mass spectrum of Disperse Red 1 with the InChIkey FOQABOMYTOFLPZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H18N4O3/c1-2-19(11-12-21)15-7-3-13(4-8-15)17-18-14-5-9-16(10-6-14)20(22)23/h3-10,21H,2,11-12H2,1H3
SMILES CCN(CCO)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI Key FOQABOMYTOFLPZ-UHFFFAOYSA-N
Molecular Formula C16H18N4O3
Exact Mass 314.138 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111027621
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    28204781 eMolecules
    SCHEMBL532332 SureChEMBL
    DTXSID6062678 EPA CompTox Dashboard
    ZINC000254611702 ZINC
    17886 PubChem
    MCULE-5598239003 Mcule
    The data in this table is sourced from UniChem at EBI.