Dataset

Verapamil; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF408101 contains the MS2 mass spectrum of Verapamil with the InChIkey SGTNSNPWRIOYBX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
SMILES COC1=CC=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1OC
InChI Key SGTNSNPWRIOYBX-UHFFFAOYSA-N
Molecular Formula C27H38N2O4
Exact Mass 454.283 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-UF408101
Version
Author
Maintainer
Language
MetadataPublished 2017-01-05
Related Molecule
  • 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00661 drugbank
    CHEBI:77733 chebi
    CHEMBL6966 chembl
    13287282 surechembl
    16742 surechembl
    29440902 surechembl
    2520 pubchem
    2406 gtopdb
    PD009864 probes_and_drugs
    196828 brenda
    230199 brenda
    230200 brenda
    249762 brenda
    249763 brenda
    35098 brenda
    CJ0O37KU29 fdasrs
    HMDB0001850 hmdb
    Molport-000-721-258 molport
    2815 drugcentral
    81939 bindingdb
    The data in this table is sourced from UniChem at EBI.