Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C14H11NO4/c15-12-7-10(14(18)19)5-6-11(12)8-1-3-9(4-2-8)13(16)17/h1-7H,15H2,(H,16,17)(H,18,19)
SMILES OC(=O)c1ccc(cc1)c1ccc(cc1N)C(=O)O
InChI Key FYEKGZUXGKAJJQ-UHFFFAOYSA-N
Molecular Formula C14H11NO4
Exact Mass 257.241 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FYEKGZUXGKAJJQ-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/FYEKGZUXGKAJJQ-UHFFFAOYSA-N/CHMO0000498
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-06
Related Molecule
  • 3-amino-4-(4-carboxyphenyl)benzoic acid
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL15901215 SureChEMBL
    90301917 PubChem
    J2.873.910I Nikkaji
    CB43339183 ChemicalBook
    The data in this table is sourced from UniChem at EBI.