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cysteic acid, 4TMS
SpectraBase Compound ID 4clddeYIE7h
InChI InChI=1S/C15H39NO5SSi4/c1-23(2,3)16(24(4,5)6)14(15(17)20-25(7,8)9)13-22(18,19)21-26(10,11)12/h14H,13H2,1-12H3/t14-/m0/s1
InChIKey MMGGLZWCUUCWTB-AWEZNQCLSA-N
Mol Weight 457.9 g/mol
Molecular Formula C15H39NO5SSi4
Exact Mass 457.162601 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ElCimB8Eslc
Name cysteic acid, 4TMS
Comments Derivatization type: 4 TMS (mass: 457.163); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000161; Note: The molecular formula of the structure shown is C3H7NO5S - which differs from the formula reported for the mass spectrum (C15H39NO5SSi4)
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Formula C15H39NO5SSi4
InChI InChI=1S/C15H39NO5SSi4/c1-23(2,3)16(24(4,5)6)14(15(17)20-25(7,8)9)13-22(18,19)21-26(10,11)12/h14H,13H2,1-12H3/t14-/m0/s1
InChIKey MMGGLZWCUUCWTB-AWEZNQCLSA-N
Molecular Weight 457.879 g/mol
SMILES C([C@@](C(=O)O[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[H])S(O[Si](C)(C)C)(=O)=O
SPLASH splash10-0005-0931000000-7c42da8775b9b6f828b4
Source of Spectrum FM-2019-161-0
Synonyms L-Cysteic acid, 4TMS 3-Sulfoalanine, 4TMS Cysteinic acid, 4TMS Cysteric acid, 4TMS Cepteic acid, 4TMS Cipteic acid, 4TMS (2R)-2-amino-3-sulfopropanoic acid, 4TMS Trimethylsilyl N,N-bis(trimethylsilyl)-C3-(((trimethylsilyl)oxy)sulfonyl)-D-alaninate
Wiley ID 1817854