Dataset

Hydroxytorasemide; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01152902 contains the MS2 mass spectrum of Hydroxytorasemide with the InChIkey WCYVLAMJCQZUCR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H20N4O4S/c1-11(2)18-16(22)20-25(23,24)15-9-17-7-6-14(15)19-13-5-3-4-12(8-13)10-21/h3-9,11,21H,10H2,1-2H3,(H,17,19)(H2,18,20,22)
SMILES CC(C)NC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)CO
InChI Key WCYVLAMJCQZUCR-UHFFFAOYSA-N
Molecular Formula C16H20N4O4S
Exact Mass 364.121 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-EQ01152902
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MetadataPublished 2024-05-08
Related Molecule
  • 1-[4-[3-(hydroxymethyl)anilino]pyridin-3-yl]sulfonyl-3-propan-2-ylurea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000034303655 ZINC
    DTXSID70560767 EPA CompTox Dashboard
    155897 ChEBI
    HMDB0060982 Human Metabolome Database
    J1.688.544D Nikkaji
    MTBLC155897 Metabolights
    14475217 PubChem
    80004462 NMRShiftDB
    46529210 PubChem: Thomson Pharma
    36758541 eMolecules
    The data in this table is sourced from UniChem at EBI.