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/C11H8N2O4/c1-17-11(14)8-5-6-12-10-7(8)3-2-4-9(10)13(15)16/h2-6H,1H3
SMILES COC(=O)c1ccnc2c1cccc2[N+](=O)[O-]
InChI Key XFVCWGHZEIJTLQ-UHFFFAOYSA-N
Molecular Formula C11H8N2O4
Exact Mass 232.192 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XFVCWGHZEIJTLQ-UHFFFAOYSA-N/CHMO0002541
License URL
Source https://www.chemotion-repository.net/inchikey/XFVCWGHZEIJTLQ-UHFFFAOYSA-N/CHMO0002541
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-10
Related Molecule
  • methyl 8-nitroquinoline-4-carboxylate
    • Field Value
    Measurement Technique high-resolution electrospray ionisation time-of-flight mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL11973794 SureChEMBL
    68183455 PubChem
    The data in this table is sourced from UniChem at EBI.