Dataset

Mebeverine; LC-ESI-QTOF; MS2; CE: Ramp 24.2-36.3 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU274406 contains the MS2 mass spectrum of Mebeverine with the InChIkey VYVKHNNGDFVQGA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C25H35NO5/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5/h9-14,18-19H,6-8,15-17H2,1-5H3
SMILES CCN(CCCCOC(=O)C1=CC(OC)=C(OC)C=C1)C(C)CC1=CC=C(OC)C=C1
InChI Key VYVKHNNGDFVQGA-UHFFFAOYSA-N
Molecular Formula C25H35NO5
Exact Mass 429.252 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-AU274406
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MetadataPublished 2019-05-30
Related Molecule
  • 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14832172 PubChem: Thomson Pharma
    4031 PubChem
    SCHEMBL25804 SureChEMBL
    LSM-1296 LINCS
    3625-06-7 ACToR
    PD013191 ProbesDrugs
    DB12554 DrugBank
    1642 DrugCentral
    MEBEVERINE HYDROCHLORIDE rxnorm
    MEBEVERINE rxnorm
    HMDB0254388 Human Metabolome Database
    J8.191D Nikkaji
    MEBEVERINE clinicaltrials
    MEBEVERINE HYDROCHLORIDE clinicaltrials
    7F80CC3NNV FDA SRS
    CB5444586 ChemicalBook
    9011 Guide to Pharmacology
    DTXSID6023238 EPA CompTox Dashboard
    91514 ChEBI
    CHEMBL282121 ChEMBL
    The data in this table is sourced from UniChem at EBI.