Dataset

Sultopride; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+

This MassBank record with Accession MSBNK-MSSJ-MSJ03055 contains the MS2 mass spectrum of Sultopride with the InChIkey UNRHXEPDKXPRTM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)
SMILES CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC
InChI Key UNRHXEPDKXPRTM-UHFFFAOYSA-N
Molecular Formula C17H26N2O4S
Exact Mass 354.161 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-MSSJ-MSJ03055
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MetadataPublished 2023-04-05
Related Molecule
  • N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5357 PubChem
    PD014091 ProbesDrugs
    14803104 PubChem: Thomson Pharma
    SCHEMBL149197 SureChEMBL
    53583-79-2 ACToR
    1989123 eMolecules
    9356 ChEBI
    DTXSID9023627 EPA CompTox Dashboard
    SULTOPRIDE rxnorm
    J10.063C Nikkaji
    SULTOPRIDE clinicaltrials
    86720 BindingDB
    HY-42849 MedChemExpress
    AA0G3TW31W FDA SRS
    HMDB0258623 Human Metabolome Database
    2541 DrugCentral
    DB13273 DrugBank
    12013423 PubChem: Drugs of the Future
    CHEMBL277945 ChEMBL
    C11708 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.