Dataset

Irbesartan; LC-ESI-Q; MS; POS; 90 V

This MassBank record with Accession MSBNK-Waters-WA001036 contains the MS mass spectrum of Irbesartan with the InChIkey YOSHYTLCDANDAN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)
SMILES CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
InChI Key YOSHYTLCDANDAN-UHFFFAOYSA-N
Molecular Formula C25H28N6O
Exact Mass 428.232 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001036
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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