Dataset

high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

Chemical Information

molecular Image
InChI InChI=1S/C10H6N2O4/c13-10(14)7-5-4-6-2-1-3-8(12(15)16)9(6)11-7/h1-5H,(H,13,14)
SMILES [O-][N+](=O)c1cccc2c1nc(cc2)C(=O)O
InChI Key YKNRUBPOGQLIKS-UHFFFAOYSA-N
Molecular Formula C10H6N2O4
Exact Mass 218.166 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YKNRUBPOGQLIKS-UHFFFAOYSA-N/CHMO0002541
License URL
Source https://www.chemotion-repository.net/inchikey/YKNRUBPOGQLIKS-UHFFFAOYSA-N/CHMO0002541
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-03-14
Related Molecule
  • 8-nitroquinoline-2-carboxylic acid
    • Field Value
    Measurement Technique high-resolution electrospray ionisation time-of-flight mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL2040868 chembl
    8540064 surechembl
    85075 pubchem
    Molport-000-876-902 molport
    The data in this table is sourced from UniChem at EBI.