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S-carboxymethylcysteine, 2TMS
SpectraBase Compound ID Ic0VOexRHg3
InChI InChI=1S/C11H25NO4SSi2/c1-18(2,3)15-10(13)8-17-7-9(12)11(14)16-19(4,5)6/h9H,7-8,12H2,1-6H3
InChIKey FPLNGRYOLKAMRG-UHFFFAOYSA-N
Mol Weight 323.55 g/mol
Molecular Formula C11H25NO4SSi2
Exact Mass 323.104283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56IsiOYBcm
Name S-carboxymethylcysteine, 2TMS
Alternate Name(s) Carbocysteine, 2TMS Broncodeterge, 2TMS Transbronchin, 2TMS Rhinathiol, 2TMS Fluifort, 2TMS Lisomucil, 2TMS 2-Amino-3-(carboxymethylsulfanyl)propanoic acid, 2TMS Trimethylsilyl S-(2-oxo-2-((trimethylsilyl)oxy)ethyl)cysteinate
Comments Derivatization type: 2 TMS (mass: 323.104); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000784; Note: The molecular formula of the structure shown is C5H9NO4S - which differs from the formula reported for the mass spectrum (C11H25NO4SSi2)
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Formula C11H25NO4SSi2
InChI InChI=1S/C11H25NO4SSi2/c1-18(2,3)15-10(13)8-17-7-9(12)11(14)16-19(4,5)6/h9H,7-8,12H2,1-6H3
InChIKey FPLNGRYOLKAMRG-UHFFFAOYSA-N
Molecular Weight 323.554 g/mol
SMILES NC(CSCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
SPLASH splash10-05mk-1920000000-632b55e0a58a07040667
Source of Spectrum FM-2019-784-0
Wiley ID 1818458