Dataset

Telmisartan O-acyl-glucuronide

This MassBank record with Accession MSBNK-Eawag-EQ01155405 contains the MS2 mass spectrum of Telmisartan O-acyl-glucuronide with the InChIkey RCOBUBSULFIXAR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C39H38N4O8/c1-4-9-30-41-31-21(2)18-24(36-40-27-12-7-8-13-28(27)42(36)3)19-29(31)43(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)38(49)51-39-34(46)32(44)33(45)35(50-39)37(47)48/h5-8,10-19,32-35,39,44-46H,4,9,20H2,1-3H3,(H,47,48)
SMILES CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C=C(C=C2C)C6=NC7=CC=CC=C7N6C
InChI Key RCOBUBSULFIXAR-UHFFFAOYSA-N
Molecular Formula C39H38N4O8
Exact Mass 690.269 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01155405
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:46:40.468233
MetadataModified 2025-02-09T09:46:40.659891
MetadataPublished 2024-05-08
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
36754647 eMolecules
HMDB0258792 Human Metabolome Database
PD119942 ProbesDrugs
71772380 PubChem
The data in this table is sourced from UniChem at EBI.