Dataset

Iohexol; LC-ESI-QTOF; MS2; 110 V

This MassBank record with Accession MSBNK-BAFG-CSL2311091306 contains the MS2 mass spectrum of Iohexol with the InChIkey NTHXOOBQLCIOLC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)
SMILES CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
InChI Key NTHXOOBQLCIOLC-UHFFFAOYSA-N
Molecular Formula C19H26I3N3O9
Exact Mass 820.880 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311091306
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MetadataPublished 2023-11-09
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