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/C10H8N2O2/c1-7-5-6-11-10-8(7)3-2-4-9(10)12(13)14/h2-6H,1H3
SMILES [O-][N+](=O)c1cccc2c1nccc2C
InChI Key ZNGIJEBXIREQLE-UHFFFAOYSA-N
Molecular Formula C10H8N2O2
Exact Mass 188.183 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZNGIJEBXIREQLE-UHFFFAOYSA-N/CHMO0002541
License URL
Source https://www.chemotion-repository.net/inchikey/ZNGIJEBXIREQLE-UHFFFAOYSA-N/CHMO0002541
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-10
Related Molecule
  • 4-methyl-8-nitroquinoline
    • Field Value
    Measurement Technique high-resolution electrospray ionisation time-of-flight mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    836626 eMolecules
    CHEMBL2358273 ChEMBL
    76048 PubChem
    SCHEMBL4642926 SureChEMBL
    16791223 PubChem: Thomson Pharma
    2801-29-8 ACToR
    CB9160419 ChemicalBook
    MCULE-5104961620 Mcule
    ZINC000000080357 ZINC
    DTXSID9062649 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.