Dataset

3,5-bis(hexanoylamino)-2,4,6-triiodobenzoic acid; LC-ESI-QTOF; MS2; 130 V

This MassBank record with Accession MSBNK-BAFG-CSL2311107462 contains the MS2 mass spectrum of 3,5-bis(hexanoylamino)-2,4,6-triiodobenzoic acid with the InChIkey RRCCBBFPHXTAFB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H25I3N2O4/c1-3-5-7-9-11(25)23-17-14(20)13(19(27)28)15(21)18(16(17)22)24-12(26)10-8-6-4-2/h3-10H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)
SMILES CCCCCC(=O)Nc1c(I)c(NC(=O)CCCCC)c(I)c(C(O)=O)c1I
InChI Key RRCCBBFPHXTAFB-UHFFFAOYSA-N
Molecular Formula C19H25I3N2O4
Exact Mass 725.895 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311107462
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • 3,5-bis(hexanoylamino)-2,4,6-triiodobenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    49015 pubchem
    DTXSID40217312 comptox
    The data in this table is sourced from UniChem at EBI.