Dataset

Sudan I; LC-ESI-QTOF; MS2; CE: RAMP 19.8-29.7 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU565106 contains the MS2 mass spectrum of Sudan I with the InChIkey MRQIXHXHHPWVIL-ISLYRVAYSA-N.

Chemical Information

Molecular Image
InChI InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H/b18-17+
SMILES c1ccc(cc1)/N=N/c2c3ccccc3ccc2O
InChI Key MRQIXHXHHPWVIL-ISLYRVAYSA-N
Molecular Formula C16H12N2O
Exact Mass 248.095 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-Athens_Univ-AU565106
Version
Author
Maintainer
Language
MetadataPublished 2016-02-29
Related Molecule
  • nfdi4chem-mol53139(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:30958 chebi
    CHEMBL1397023 chembl
    30776095 surechembl
    51451 surechembl
    13297 pubchem
    48I7IBB68J fdasrs
    PD063867 probes_and_drugs
    FOCRIC CCDC
    DTXSID90873447 comptox
    Molport-001-783-845 molport
    The data in this table is sourced from UniChem at EBI.