Dataset

Xipamide; LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ501305 contains the MS2 mass spectrum of Xipamide with the InChIkey MTZBBNMLMNBNJL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7,19H,1-2H3,(H,18,20)(H2,17,21,22)
SMILES CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=C(C=C2O)Cl)S(=O)(=O)N
InChI Key MTZBBNMLMNBNJL-UHFFFAOYSA-N
Molecular Formula C15H15ClN2O4S
Exact Mass 354.044 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ501305
Version
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Maintainer
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MetadataPublished 2021-03-16
Related Molecule
  • 4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL517199 ChEMBL
    J8.494H Nikkaji
    ZINC000000538538 ZINC
    135499 ChEBI
    2853 DrugCentral
    DTXSID5023744 EPA CompTox Dashboard
    7900 Guide to Pharmacology
    HY-W042301 MedChemExpress
    XIPAMIDE rxnorm
    HMDB0259933 Human Metabolome Database
    DB13803 DrugBank
    CB7875012 ChemicalBook
    26618 PubChem
    PD014677 ProbesDrugs
    4S9EY0NUEC FDA SRS
    14803127 PubChem: Thomson Pharma
    135274-05-4 ACToR
    SCHEMBL43532 SureChEMBL
    14293-44-8 ACToR
    36759662 eMolecules
    The data in this table is sourced from UniChem at EBI.