Dataset

Iomeprol

This MassBank record with Accession MSBNK-BAFG-CSL2311092853 contains the MS2 mass spectrum of Iomeprol with the InChIkey NJKDOADNQSYQEV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H22I3N3O8/c1-23(9(29)6-26)15-13(19)10(16(30)21-2-7(27)4-24)12(18)11(14(15)20)17(31)22-3-8(28)5-25/h7-8,24-28H,2-6H2,1H3,(H,21,30)(H,22,31)
SMILES CN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
InChI Key NJKDOADNQSYQEV-UHFFFAOYSA-N
Molecular Formula C17H22I3N3O8
Exact Mass 776.854 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311092853
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T11:31:06.263748
MetadataModified 2024-01-11T11:31:06.414646
MetadataPublished 2023-11-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables