Dataset

Tolbutamide; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01163154 contains the MS2 mass spectrum of Tolbutamide with the InChIkey JLRGJRBPOGGCBT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)
SMILES CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C
InChI Key JLRGJRBPOGGCBT-UHFFFAOYSA-N
Molecular Formula C12H18N2O3S
Exact Mass 270.104 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-EQ01163154
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MetadataPublished 2024-01-16
Related Molecule
  • 1-butyl-3-(4-methylphenyl)sulfonylurea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01124 drugbank
    CHEBI:27999 chebi
    CHEMBL782 chembl
    15918 surechembl
    5505 pubchem
    982XCM1FOI fdasrs
    6848 gtopdb
    PD001726 probes_and_drugs
    ZZZPUS CCDC
    9280 brenda
    HMDB0015256 hmdb
    Molport-001-783-540 molport
    2696 drugcentral
    50027886 bindingdb
    The data in this table is sourced from UniChem at EBI.