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Mesurol phenol sulfoxide
SpectraBase Compound ID tTg0vorzZ5
InChI InChI=1S/C9H12O2S/c1-6-4-8(10)5-7(2)9(6)12(3)11/h4-5,10H,1-3H3
InChIKey ZHBBDQFXEDCQFI-UHFFFAOYSA-N
Mol Weight 184.25 g/mol
Molecular Formula C9H12O2S
Exact Mass 184.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DX5jEBlirtM
Name Mesurol phenol sulfoxide
Source of Sample Metabolite of Methiocarb
CAS Registry Number 22454-92-8
Classification Pesticides: Artifacts, Degradation product, 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 184.055800798 u
Formula C9H12O2S
InChI InChI=1S/C9H12O2S/c1-6-4-8(10)5-7(2)9(6)12(3)11/h4-5,10H,1-3H3
InChIKey ZHBBDQFXEDCQFI-UHFFFAOYSA-N
Molecular Weight 184.253 g/mol
Number of Peaks 127
RI1 1594
SMILES Oc1cc(c(c(c1)C)S(=O)C)C
SPLASH splash10-066r-4900000000-ff818d6e548aea4b8245
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 Phenol, 3,5-dimethyl-4-(methylsulfinyl)-
Wiley ID LM_PEST_1067