| SpectraBase Spectrum ID |
6Db0y28exoA |
| Name |
Demeton-S-methyl sulfone |
| Source of Sample |
Metabolite of Demeton-S-methyl; Sigma-Aldrich Cat. #45424 |
| CAS Registry Number |
17040-19-6 |
| Classification |
Pesticides: Metabolites |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
262.009852924 u |
| Formula |
C6H15O5PS2 |
| InChI |
InChI=1S/C6H15O5PS2/c1-4-14(8,9)6-5-13-12(7,10-2)11-3/h4-6H2,1-3H3 |
| InChIKey |
PZIRJMYRYORVIT-UHFFFAOYSA-N |
| Molecular Weight |
262.275 g/mol |
| Number of Peaks |
123 |
| RI1 |
1919 |
| SMILES |
CCS(=O)(=O)CCSP(=O)(OC)OC |
| SPLASH |
splash10-0690-2900000000-aaf509413e7dded7cd0e |
| Sample Comments |
RI1: measured on SLB-5ms (Alkanes)
RI2: measured on Equity-1 (Alkanes) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Phosphorothioic acid, S-[2-(ethylsulfonyl)ethyl] O,O-dimethyl ester |
| Wiley ID |
LM_PEST_70 |
