Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C12H12N2O3/c15-11(3-4-12(16)17)14-9-2-1-8-5-6-13-10(8)7-9/h1-2,5-7,13H,3-4H2,(H,14,15)(H,16,17)
SMILES O=C(Nc1ccc2c(c1)[nH]cc2)CCC(=O)O
InChI Key QPAHTTFCCFCZPE-UHFFFAOYSA-N
Molecular Formula C12H12N2O3
Exact Mass 232.235 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QPAHTTFCCFCZPE-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/QPAHTTFCCFCZPE-UHFFFAOYSA-N/CHMO0000470
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-07-31
Related Molecule
  • 4-(1H-indol-6-ylamino)-4-oxobutanoic acid
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    19057823 PubChem
    MCULE-6130359132 Mcule
    ZINC000022863923 ZINC
    The data in this table is sourced from UniChem at EBI.