Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C14H9NO6/c16-13(17)9-3-1-8(2-4-9)11-6-5-10(14(18)19)7-12(11)15(20)21/h1-7H,(H,16,17)(H,18,19)
SMILES OC(=O)c1ccc(cc1)c1ccc(cc1[N+](=O)[O-])C(=O)O
InChI Key OTDUJVQMQBNMCD-UHFFFAOYSA-N
Molecular Formula C14H9NO6
Exact Mass 287.224 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OTDUJVQMQBNMCD-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/OTDUJVQMQBNMCD-UHFFFAOYSA-N/CHMO0000498
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-07
Related Molecule
  • 4-(4-carboxyphenyl)-3-nitrobenzoic acid
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL9557826 SureChEMBL
    CB28088998 ChemicalBook
    19980719 PubChem
    The data in this table is sourced from UniChem at EBI.