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Allothreonine,N,O,O-TMS
SpectraBase Compound ID ExW8MG7Ay2H
InChI InChI=1S/C13H33NO3Si3/c1-11(16-19(5,6)7)12(14-18(2,3)4)13(15)17-20(8,9)10/h11-12,14H,1-10H3/t11-,12-/m0/s1
InChIKey GTYBQDCOPQDAPP-RYUDHWBXSA-N
Mol Weight 335.7 g/mol
Molecular Formula C13H33NO3Si3
Exact Mass 335.176824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BmL6nWP5QDE
Name allothreonine, 3TMS
Comments Derivatization type: 3 TMS (mass: 335.177); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000018; Note: The molecular formula of the structure shown is C4H9NO3 - which differs from the formula reported for the mass spectrum (C13H33NO3Si3)
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Formula C13H33NO3Si3
InChI InChI=1S/C13H33NO3Si3/c1-11(16-19(5,6)7)12(14-18(2,3)4)13(15)17-20(8,9)10/h11-12,14H,1-10H3/t11-,12-/m0/s1
InChIKey GTYBQDCOPQDAPP-RYUDHWBXSA-N
Molecular Weight 335.666 g/mol
SMILES N([C@@]([C@](C)(O[Si](C)(C)C)[H])(C(=O)O[Si](C)(C)C)[H])[Si](C)(C)C
SPLASH splash10-0gb9-0920000000-a9588f17ccb28cd64037
Source of Spectrum FM-2019-18-0
Synonyms L-allo-threonine, 3TMS L-Allothreonine, 3TMS allo-L-Threonine, 3TMS L-threonine, 3TMS nchembio856-comp3, 3TMS ALLO-THREONINE, 3TMS (2S,3S)-2-amino-3-hydroxybutanoic acid, 3TMS Trimethylsilyl N,O-bis(trimethylsilyl)-L-allothreoninate
Wiley ID 1817719