Dataset

Trimebutine; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01165001 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-EQ01165001
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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
    TRIMEBUTINE rxnorm
    83417 BindingDB
    TRIMEBUTINA clinicaltrials
    HY-B0380 MedChemExpress
    9RKX7S7WFY FDA SRS
    U4UUZ24TRB FDA SRS
    QZ1OJ92E5R FDA SRS
    DB09089 DrugBank
    94458 ChEBI
    DTXSID4023707 EPA CompTox Dashboard
    2748 DrugCentral
    J304.096H Nikkaji
    J15.812G Nikkaji
    J304.097F Nikkaji
    HMDB0259230 Human Metabolome Database
    TRIMEBUTINE clinicaltrials
    594991 eMolecules
    CHEMBL190044 ChEMBL
    5573 PubChem
    PD009062 ProbesDrugs
    14878364 PubChem: Thomson Pharma
    LSM-5182 LINCS
    39133-31-8 ACToR
    trimebutine Selleck
    SCHEMBL25705 SureChEMBL
    CB6305680 ChemicalBook
    MCULE-9142367404 Mcule
    The data in this table is sourced from UniChem at EBI.