Dataset

Trimebutine; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01165002 contains the MS2 mass spectrum of Trimebutine with the InChIkey LORDFXWUHHSAQU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3
SMILES CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C
InChI Key LORDFXWUHHSAQU-UHFFFAOYSA-N
Molecular Formula C22H29NO5
Exact Mass 387.205 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-EQ01165002
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Maintainer
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MetadataPublished 2024-01-16
Related Molecule
  • [2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB09089 drugbank
    CHEBI:94458 chebi
    CHEMBL190044 chembl
    25705 surechembl
    5573 pubchem
    9RKX7S7WFY fdasrs
    QZ1OJ92E5R fdasrs
    U4UUZ24TRB fdasrs
    PD009062 probes_and_drugs
    HMDB0259230 hmdb
    Molport-003-959-765 molport
    2748 drugcentral
    83417 bindingdb
    The data in this table is sourced from UniChem at EBI.