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DL-Methionine sulfoxide
SpectraBase Compound ID 2ekU1Kirf0f
InChI InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKey QEFRNWWLZKMPFJ-UHFFFAOYSA-N
Mol Weight 165.21 g/mol
Molecular Formula C5H11NO3S
Exact Mass 165.045964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DyyURNUa4NS
Name Methionine sulfoxide, 4TMS
Comments Non-derivatized structure shown; Derivatization type: 4 TMS (mass: 453.204); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000905; Note: The molecular formula of the structure shown is C5H11NO3S - which differs from the formula reported for the mass spectrum (C17H43NO3SSi4)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H43NO3SSi4
InChI InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKey QEFRNWWLZKMPFJ-UHFFFAOYSA-N
Molecular Weight 165.207 g/mol
SMILES OC(C(CCS(C)=O)N)=O
SPLASH splash10-004i-0900000000-a5138c4f03667c81645c
Source of Spectrum FM-2019-905-0
Synonyms Methionine S-oxide, 4TMS L-methionine sulfoxide, 4TMS DL-Methionine sulfoxide, 4TMS Methionine, S-oxide, 4TMS Uethionine, S-oxide, 4TMS 2-Amino-4-methylsulfinylbutanoic acid, 4TMS 2-Amino-4-(methylsulfinyl)butanoic acid
Wiley ID 1818571