Dataset

Ethofumesate-2-hydroxy

This MassBank record with Accession MSBNK-Eawag-EQ419652 contains the MS2 mass spectrum of Ethofumesate-2-hydroxy with the InChIkey KNHJTPLSWOEZHZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H14O5S/c1-11(2)8-6-7(16-17(3,13)14)4-5-9(8)15-10(11)12/h4-6,10,12H,1-3H3
SMILES CC1(C)C(O)OC2=CC=C(OS(C)(=O)=O)C=C12
InChI Key KNHJTPLSWOEZHZ-UHFFFAOYSA-N
Molecular Formula C11H14O5S
Exact Mass 258.056 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-EQ419652
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:59:25.134250
MetadataModified 2025-02-09T09:40:29.499844
MetadataPublished 2019-12-03
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J1.751.736H Nikkaji
536079 PubChem
SCHEMBL11260239 SureChEMBL
The data in this table is sourced from UniChem at EBI.