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S-carboxymethylcysteine, 3TMS
SpectraBase Compound ID 6gMUwQErb2f
InChI InChI=1S/C14H33NO4SSi3/c1-21(2,3)15-12(14(17)19-23(7,8)9)10-20-11-13(16)18-22(4,5)6/h12,15H,10-11H2,1-9H3
InChIKey ZNZLJUMJKFGIEZ-UHFFFAOYSA-N
Mol Weight 395.7 g/mol
Molecular Formula C14H33NO4SSi3
Exact Mass 395.143809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96GKzu2oRnr
Name S-carboxymethylcysteine, 3TMS
Comments Derivatization type: 3 TMS (mass: 395.144); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000785; Note: The molecular formula of the structure shown is C5H9NO4S - which differs from the formula reported for the mass spectrum (C14H33NO4SSi3)
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Formula C14H33NO4SSi3
InChI InChI=1S/C14H33NO4SSi3/c1-21(2,3)15-12(14(17)19-23(7,8)9)10-20-11-13(16)18-22(4,5)6/h12,15H,10-11H2,1-9H3
InChIKey ZNZLJUMJKFGIEZ-UHFFFAOYSA-N
Molecular Weight 395.736 g/mol
SMILES N(C(CSCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C
SPLASH splash10-0gba-0950000000-dedd4bce04f6faabb4fa
Source of Spectrum FM-2019-785-0
Synonyms Carbocysteine, 3TMS Broncodeterge, 3TMS Transbronchin, 3TMS Rhinathiol, 3TMS Fluifort, 3TMS Lisomucil, 3TMS 2-Amino-3-(carboxymethylsulfanyl)propanoic acid, 3TMS Trimethylsilyl S-(2-oxo-2-((trimethylsilyl)oxy)ethyl)-N-(trimethylsilyl)cysteinate
Wiley ID 1818459