Dataset

Ethofumesate

This MassBank record with Accession MSBNK-UFZ-UF401604 contains the MS2 mass spectrum of Ethofumesate with the InChIkey IRCMYGHHKLLGHV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3
SMILES CCOC1OC2=CC=C(OS(C)(=O)=O)C=C2C1(C)C
InChI Key IRCMYGHHKLLGHV-UHFFFAOYSA-N
Molecular Formula C13H18O5S
Exact Mass 286.087 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF401604
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:42:48.566524
MetadataModified 2025-02-09T19:48:41.113252
MetadataPublished 2017-01-05
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C18829 KEGG Ligand
HMDB0252019 Human Metabolome Database
83768 ChEBI
J3.065.123E Nikkaji
3051U1Z8KV FDA SRS
HY-136369 MedChemExpress
DTXSID8034580 EPA CompTox Dashboard
CB2756110 ChemicalBook
33360 PubChem
SCHEMBL55264 SureChEMBL
CHEMBL2133153 ChEMBL
14751125 PubChem: Thomson Pharma
26225-79-6 ACToR
2343561 eMolecules
MCULE-6921746518 Mcule
The data in this table is sourced from UniChem at EBI.