Dataset

Phorate Sulfoxide

This MassBank record with Accession MSBNK-Eawag-EQ01129401 contains the MS2 mass spectrum of Phorate Sulfoxide with the InChIkey XRQHTUDGPWMPKX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H17O3PS3/c1-4-9-11(12,10-5-2)13-7-14(8)6-3/h4-7H2,1-3H3
SMILES CCOP(=S)(OCC)SCS(=O)CC
InChI Key XRQHTUDGPWMPKX-UHFFFAOYSA-N
Molecular Formula C7H17O3PS3
Exact Mass 276.008 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-EQ01129401
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:03:50.023830
MetadataModified 2025-02-09T09:58:57.394096
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID1042283 EPA CompTox Dashboard
J7.619H Nikkaji
2588-03-6 ACToR
510417 eMolecules
17424 PubChem
SCHEMBL1713391 SureChEMBL
The data in this table is sourced from UniChem at EBI.