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O-phosphothreonine, 3TMS
SpectraBase Compound ID 9RtzHFxwjCY
InChI InChI=1S/C13H34NO6PSi3/c1-11(12(14)13(15)18-22(2,3)4)17-21(16,19-23(5,6)7)20-24(8,9)10/h11-12H,14H2,1-10H3
InChIKey FLMBZTPBSQJLSU-UHFFFAOYSA-N
Mol Weight 415.6 g/mol
Molecular Formula C13H34NO6PSi3
Exact Mass 415.143154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KciiClFgJtU
Name O-phosphothreonine, 3TMS
Comments Derivatization type: 3 TMS (mass: 415.143); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000985; Note: The molecular formula of the structure shown is C4H10NO6P - which differs from the formula reported for the mass spectrum (C13H34NO6PSi3)
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Formula C13H34NO6PSi3
InChI InChI=1S/C13H34NO6PSi3/c1-11(12(14)13(15)18-22(2,3)4)17-21(16,19-23(5,6)7)20-24(8,9)10/h11-12H,14H2,1-10H3
InChIKey FLMBZTPBSQJLSU-UHFFFAOYSA-N
Molecular Weight 415.645 g/mol
SMILES NC(C(C)OP(O[Si](C)(C)C)(O[Si](C)(C)C)=O)C(=O)O[Si](C)(C)C
SPLASH splash10-03l4-0890000000-4497760a24985f30606b
Source of Spectrum FM-2019-985-0
Synonyms phosphothreonine, 3TMS O-phosphonothreonine, 3TMS dl-O-Phosphothreonine, 3TMS O-phospho-L-threonine, 3TMS DL-Threonine phosphate, 3TMS O-Phospho-DL-threonine, 3TMS 2-Amino-3-phosphonooxybutanoic acid, 3TMS Trimethylsilyl 2-amino-3-((bis((trimethylsilyl)oxy)phosphoryl)oxy)butanoate
Wiley ID 1818645