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O-phosphothreonine, 4TMS
SpectraBase Compound ID CliLJx0AjNX
InChI InChI=1S/C16H42NO6PSi4/c1-14(15(17-25(2,3)4)16(18)21-26(5,6)7)20-24(19,22-27(8,9)10)23-28(11,12)13/h14-15,17H,1-13H3
InChIKey FJSGJIPMUHDWAK-UHFFFAOYSA-N
Mol Weight 487.8 g/mol
Molecular Formula C16H42NO6PSi4
Exact Mass 487.182681 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5231hEfvTZo
Name O-phosphothreonine, 4TMS
Comments Derivatization type: 4 TMS (mass: 487.183); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000986; Note: The molecular formula of the structure shown is C4H10NO6P - which differs from the formula reported for the mass spectrum (C16H42NO6PSi4)
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Formula C16H42NO6PSi4
InChI InChI=1S/C16H42NO6PSi4/c1-14(15(17-25(2,3)4)16(18)21-26(5,6)7)20-24(19,22-27(8,9)10)23-28(11,12)13/h14-15,17H,1-13H3
InChIKey FJSGJIPMUHDWAK-UHFFFAOYSA-N
Molecular Weight 487.827 g/mol
SMILES N(C(C(C)OP(O[Si](C)(C)C)(O[Si](C)(C)C)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C
SPLASH splash10-0002-0953000000-3fd4d1f8b48713a0e1cf
Source of Spectrum FM-2019-986-0
Synonyms phosphothreonine, 4TMS O-phosphonothreonine, 4TMS dl-O-Phosphothreonine, 4TMS O-phospho-L-threonine, 4TMS DL-Threonine phosphate, 4TMS O-Phospho-DL-threonine, 4TMS 2-Amino-3-phosphonooxybutanoic acid, 4TMS Trimethylsilyl 3-((bis((trimethylsilyl)oxy)phosphoryl)oxy)-2-((trimethylsilyl)amino)butanoate
Wiley ID 1818646