Dataset

Telmisartan; LC-ESI-QTOF; MS2; CE: Ramp 25.9-38.9 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU225106 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 CCCC1=NC2=C(C)C=C(C=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C(O)=O)C1=NC2=CC=CC=C2N1C
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-Athens_Univ-AU225106
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Maintainer
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MetadataPublished 2019-05-30
Related Molecule
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    • 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
    HMDB0015101 hmdb
    Molport-003-666-621 molport
    2583 drugcentral
    50043280 bindingdb
    The data in this table is sourced from UniChem at EBI.