Dataset

Verapamil; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF408102 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-UF408102
Version
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Maintainer
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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
    77733 ChEBI
    MCULE-3016077278 Mcule
    verapamil DailyMed
    35098 Brenda
    HMDB0001850 Human Metabolome Database
    196828 Brenda
    PA451868 PharmGKB
    2520 PubChem
    PD009864 ProbesDrugs
    LSM-1298 LINCS
    14784349 PubChem: Thomson Pharma
    SCHEMBL16742 SureChEMBL
    56949-77-0 ACToR
    52-53-9 ACToR
    1934651 eMolecules
    DB00661 DrugBank
    C07188 KEGG Ligand
    2406 Guide to Pharmacology
    CHEMBL6966 ChEMBL
    230199 Brenda
    230200 Brenda
    VERAPAMIL DailyMed
    CALAN rxnorm
    VERAPAMIL HYDROCHLORIDE rxnorm
    VERAPAMIL rxnorm
    VERELAN rxnorm
    ISOPTIN rxnorm
    TARKA rxnorm
    ISOPTIN clinicaltrials
    D-365 clinicaltrials
    VERAPAMIL clinicaltrials
    VERAPAMIL HYDROCHLORIDE clinicaltrials
    VERELAN clinicaltrials
    CALAN clinicaltrials
    COVERA clinicaltrials
    HY-14275 MedChemExpress
    CJ0O37KU29 FDA SRS
    DTXSID9041152 EPA CompTox Dashboard
    J4.132G Nikkaji
    J332.327G Nikkaji
    249762 Brenda
    249763 Brenda
    81939 BindingDB
    CB5376232 ChemicalBook
    2815 DrugCentral
    The data in this table is sourced from UniChem at EBI.