Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C14H20N2O6/c17-11(5-7-13(19)20)15-9-3-1-2-4-10-16-12(18)6-8-14(21)22/h5-8H,1-4,9-10H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/b7-5-,8-6-
SMILES O=C(/C=C\C(=O)O)NCCCCCCNC(=O)/C=C\C(=O)O
InChI Key WPUBWLUSKQXZNQ-SFECMWDFSA-N
Molecular Formula C14H20N2O6
Exact Mass 312.318 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WPUBWLUSKQXZNQ-SFECMWDFSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/WPUBWLUSKQXZNQ-SFECMWDFSA-N/CHMO0000470
Version
Author hatice mutlu
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-05-10
Related Molecule
  • (Z)-4-[6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexylamino]-4-oxobut-2-enoic acid
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    45071950 PubChem
    ZINC000100037758 ZINC
    SCHEMBL8857549 SureChEMBL
    J2.552.933B Nikkaji
    36848-00-7 ACToR
    The data in this table is sourced from UniChem at EBI.