Dataset

Phorate

This MassBank record with Accession MSBNK-Eawag-EQ01138808 contains the MS2 mass spectrum of Phorate with the InChIkey BULVZWIRKLYCBC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3
SMILES CCOP(=S)(OCC)SCSCC
InChI Key BULVZWIRKLYCBC-UHFFFAOYSA-N
Molecular Formula C7H17O2PS3
Exact Mass 260.013 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-EQ01138808
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:41:00.082523
MetadataModified 2025-02-09T09:53:44.770346
MetadataPublished 2023-04-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14774676 PubChem: Thomson Pharma
4790 PubChem
298-02-2 ACToR
3W54X3W9IV FDA SRS
498509 eMolecules
11918 Brenda
HMDB0062577 Human Metabolome Database
SCHEMBL26312 SureChEMBL
DTXSID4032459 EPA CompTox Dashboard
ZINC000002040889 ZINC
J5.462C Nikkaji
CHEMBL510014 ChEMBL
C18690 KEGG Ligand
38764 ChEBI
The data in this table is sourced from UniChem at EBI.