Dataset

TELMISARTAN; ESI-QTOF; MS2; CE 30eV; [M+H]+

This MassBank record with Accession MSBNK-UPAO-UPA00022 contains the MS2 mass spectrum of TELMISARTAN with the InChIkey RMMXLENWKUUMAY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)
SMILES n(c12)c(c(c4)cc(n(Cc(c5)ccc(c(c(C(O)=O)6)cccc6)c5)3)c(c(C)4)nc3CCC)n(C)c1cccc2
InChI Key RMMXLENWKUUMAY-UHFFFAOYSA-N
Molecular Formula C33H30N4O2
Exact Mass 514.237 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UPAO-UPA00022
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00966 drugbank
    CHEBI:9434 chebi
    TLS rcsb_pdb
    CHEMBL1017 chembl
    29356790 surechembl
    29414101 surechembl
    29691699 surechembl
    4464 surechembl
    65999 pubchem
    U5SYW473RQ fdasrs
    592 gtopdb
    PD000538 probes_and_drugs
    XUYHOO CCDC
    145087 brenda
    146001 brenda
    6286 brenda
    TLS pdbe
    HMDB0015101 hmdb
    Molport-003-666-621 molport
    2583 drugcentral
    50043280 bindingdb
    The data in this table is sourced from UniChem at EBI.