Dataset

Telmisartan O-acyl-glucuronide; LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01155406 contains the MS2 mass spectrum of Telmisartan O-acyl-glucuronide with the InChIkey RCOBUBSULFIXAR-UHFFFAOYSA-N.

Chemical Information

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

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01155406
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MetadataPublished 2024-05-08
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    71772380 pubchem
    PD119942 probes_and_drugs
    HMDB0258792 hmdb
    The data in this table is sourced from UniChem at EBI.