Dataset

Sulfotep

This MassBank record with Accession MSBNK-Eawag-EQ01140118 contains the MS2 mass spectrum of Sulfotep with the InChIkey XIUROWKZWPIAIB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3
SMILES CCOP(=S)(OCC)OP(=S)(OCC)OCC
InChI Key XIUROWKZWPIAIB-UHFFFAOYSA-N
Molecular Formula C8H20O5P2S2
Exact Mass 322.023 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-EQ01140118
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:10:00.197863
MetadataModified 2025-02-09T10:01:14.897299
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID7024328 EPA CompTox Dashboard
CHEMBL3182477 ChEMBL
ZINC000001693865 ZINC
J86.052B Nikkaji
DB11497 DrugBank
HMDB0258605 Human Metabolome Database
MCULE-4788565601 Mcule
38945 ChEBI
19395 PubChem
14899378 PubChem: Thomson Pharma
PD124852 ProbesDrugs
V41BK2EE8X FDA SRS
3689-24-5 ACToR
510217 eMolecules
SCHEMBL35637 SureChEMBL
130568 Brenda
The data in this table is sourced from UniChem at EBI.