Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C14H12N2O6/c17-11(5-7-13(19)20)15-9-1-2-10(4-3-9)16-12(18)6-8-14(21)22/h1-8H,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/b7-5-,8-6-
SMILES O=C(Nc1ccc(cc1)NC(=O)/C=C\C(=O)O)/C=C\C(=O)O
InChI Key OUMVYHHZWFPSFH-SFECMWDFSA-N
Molecular Formula C14H12N2O6
Exact Mass 304.255 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OUMVYHHZWFPSFH-SFECMWDFSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/OUMVYHHZWFPSFH-SFECMWDFSA-N/CHMO0000470
Version
Author hatice mutlu
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-05-10
Related Molecule
  • (Z)-4-[4-[[(Z)-3-carboxyprop-2-enoyl]amino]anilino]-4-oxobut-2-enoic acid
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    51604-38-7 ACToR
    SCHEMBL11133691 SureChEMBL
    1551486 PubChem
    J978.181A Nikkaji
    ZINC000031720456 ZINC
    The data in this table is sourced from UniChem at EBI.