Dataset

Tolbutamide; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA002502 contains the MS 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)c(c1)ccc(C)c1
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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002502
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1-butyl-3-(4-methylphenyl)sulfonylurea
  • 1-butyl-3-(4-methylphenyl)sulfonylurea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01124 DrugBank
    C07148 KEGG Ligand
    CHEMBL782 ChEMBL
    SAM002554936 NIH Clinical Collection
    27999 ChEBI
    50027886 BindingDB
    ZZZPUS CCDC
    J1.406K Nikkaji
    6848 Guide to Pharmacology
    ZINC000001530703 ZINC
    2696 DrugCentral
    DTXSID8021359 EPA CompTox Dashboard
    HY-B0401 MedChemExpress
    TOLBUTAMIDE clinicaltrials
    TOLBUTAMIDE SODIUM rxnorm
    TOLBUTAMIDE DailyMed
    TOLBUTAMIDE rxnorm
    CB4709039 ChemicalBook
    9280 Brenda
    HMDB0015256 Human Metabolome Database
    tolbutamide DailyMed
    MTBLC27999 Metabolights
    MCULE-9720356859 Mcule
    5505 PubChem
    15197366 PubChem: Thomson Pharma
    60020895 NMRShiftDB
    PD001726 ProbesDrugs
    tolbutamide Atlas
    982XCM1FOI FDA SRS
    tolbutamide Selleck
    tolbutamide Recon
    100735-34-0 ACToR
    64-77-7 ACToR
    SCHEMBL15918 SureChEMBL
    PA451718 PharmGKB
    LSM-3907 LINCS
    511449 eMolecules
    The data in this table is sourced from UniChem at EBI.