Dataset

Hydroxytorasemide

This MassBank record with Accession MSBNK-Eawag-EQ01152951 contains the MS2 mass spectrum of Hydroxytorasemide with the InChIkey WCYVLAMJCQZUCR-UHFFFAOYSA-N.

Chemical Info

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-EQ01152951
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:57:27.650379
MetadataModified 2025-02-09T09:57:27.828586
MetadataPublished 2024-05-08
Related Molecule
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.