Dataset

Telmisartan; LC-ESI-QFT; MS2; CE: 50%; R=35000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UA006301 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 CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)c5nc6ccccc6n5C)C
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-UFZ-UA006301
Version
Author
Maintainer
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MetadataPublished 2017-08-17
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
    50069250 bindingdb
    50075496 bindingdb
    50075788 bindingdb
    50076911 bindingdb
    50330034 bindingdb
    50351617 bindingdb
    50376013 bindingdb
    50376014 bindingdb
    50376015 bindingdb
    50376016 bindingdb
    50376017 bindingdb
    50376035 bindingdb
    50376037 bindingdb
    50376556 bindingdb
    50376561 bindingdb
    50376976 bindingdb
    50535322 bindingdb
    50541710 bindingdb
    50541713 bindingdb
    50549362 bindingdb
    50549381 bindingdb
    50549387 bindingdb
    50549403 bindingdb
    50549404 bindingdb
    50549405 bindingdb
    50549406 bindingdb
    50549412 bindingdb
    50549413 bindingdb
    50549414 bindingdb
    50590055 bindingdb
    50647661 bindingdb
    50647694 bindingdb
    50684386 bindingdb
    50716823 bindingdb
    50716834 bindingdb
    50739200 bindingdb
    50739691 bindingdb
    50774591 bindingdb
    50776262 bindingdb
    50776311 bindingdb
    50776940 bindingdb
    50906695 bindingdb
    50947185 bindingdb
    50947191 bindingdb
    51040692 bindingdb
    51045852 bindingdb
    51045878 bindingdb
    51082587 bindingdb
    51185779 bindingdb
    51199741 bindingdb
    51201298 bindingdb
    51253164 bindingdb
    51253167 bindingdb
    51271766 bindingdb
    51397091 bindingdb
    51411489 bindingdb
    51476057 bindingdb
    51526570 bindingdb
    Molport-003-666-621 molport
    2583 drugcentral
    The data in this table is sourced from UniChem at EBI.