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
Version
Author
Maintainer
Language
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
    DB12554 drugbank
    CHEBI:91514 chebi
    CHEMBL282121 chembl
    25804 surechembl
    4031 pubchem
    7F80CC3NNV fdasrs
    9011 gtopdb
    PD013191 probes_and_drugs
    HMDB0254388 hmdb
    Molport-006-115-520 molport
    1642 drugcentral
    The data in this table is sourced from UniChem at EBI.