Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C20H15NO4/c21-18-11-16(12-1-5-14(6-2-12)19(22)23)9-10-17(18)13-3-7-15(8-4-13)20(24)25/h1-11H,21H2,(H,22,23)(H,24,25)
SMILES Nc1cc(ccc1c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O
InChI Key IONBHNFWEFNUEE-UHFFFAOYSA-N
Molecular Formula C20H15NO4
Exact Mass 333.337 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IONBHNFWEFNUEE-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/IONBHNFWEFNUEE-UHFFFAOYSA-N/CHMO0000498
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-07-12
Related Molecule
  • 4-[3-amino-4-(4-carboxyphenyl)phenyl]benzoic acid
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13171608 surechembl
    89027256 pubchem
    Molport-047-544-068 molport
    The data in this table is sourced from UniChem at EBI.