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3,4-Dihydroxyphenylalanine 4TMS
SpectraBase Compound ID DxqPUeJZZQk
InChI InChI=1S/C21H43NO4Si4/c1-27(2,3)22-18(21(23)26-30(10,11)12)15-17-13-14-19(24-28(4,5)6)20(16-17)25-29(7,8)9/h13-14,16,18,22H,15H2,1-12H3/t18-/m0/s1
InChIKey SSTPUELEMUKSOG-SFHVURJKSA-N
Mol Weight 485.9 g/mol
Molecular Formula C21H43NO4Si4
Exact Mass 485.226915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMNrHs1wGoq
Name DOPA, 4TMS
Comments Derivatization type: 4 TMS (mass: 485.227); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000754; Note: The molecular formula of the structure shown is C9H11NO4 - which differs from the formula reported for the mass spectrum (C21H43NO4Si4)
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Formula C21H43NO4Si4
InChI InChI=1S/C21H43NO4Si4/c1-27(2,3)22-18(21(23)26-30(10,11)12)15-17-13-14-19(24-28(4,5)6)20(16-17)25-29(7,8)9/h13-14,16,18,22H,15H2,1-12H3/t18-/m0/s1
InChIKey SSTPUELEMUKSOG-SFHVURJKSA-N
Molecular Weight 485.918 g/mol
SMILES N([C@@](Cc1ccc(c(c1)O[Si](C)(C)C)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[H])[Si](C)(C)C
SPLASH splash10-014i-0690000000-69dee25fa73c6f571cf3
Source of Spectrum FM-2019-754-0
Synonyms levodopa, 4TMS L-dopa, 4TMS Dopar, 4TMS Brocadopa, 4TMS Cidandopa, 4TMS Insulamina, 4TMS (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid, 4TMS Trimethylsilyl (S)-3-(3,4-bis((trimethylsilyl)oxy)phenyl)-2-((trimethylsilyl)amino)propanoate
Wiley ID 1818430