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DOPA, 3TMS
SpectraBase Compound ID IBmqaWxReRM
InChI InChI=1S/C18H35NO4Si3/c1-24(2,3)21-16-11-10-14(13-17(16)22-25(4,5)6)12-15(19)18(20)23-26(7,8)9/h10-11,13,15H,12,19H2,1-9H3/t15-/m0/s1
InChIKey QFQPTDGWWJEVEK-HNNXBMFYSA-N
Mol Weight 413.7 g/mol
Molecular Formula C18H35NO4Si3
Exact Mass 413.187388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKOMT4Vr5Au
Name DOPA, 3TMS
Comments Derivatization type: 3 TMS (mass: 413.187); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000753; Note: The molecular formula of the structure shown is C9H11NO4 - which differs from the formula reported for the mass spectrum (C18H35NO4Si3)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H35NO4Si3
InChI InChI=1S/C18H35NO4Si3/c1-24(2,3)21-16-11-10-14(13-17(16)22-25(4,5)6)12-15(19)18(20)23-26(7,8)9/h10-11,13,15H,12,19H2,1-9H3/t15-/m0/s1
InChIKey QFQPTDGWWJEVEK-HNNXBMFYSA-N
Molecular Weight 413.736 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]
SPLASH splash10-014i-1890000000-773081b815ef52751f2f
Source of Spectrum FM-2019-753-0
Synonyms levodopa, 3TMS L-dopa, 3TMS Dopar, 3TMS Brocadopa, 3TMS Cidandopa, 3TMS Insulamina, 3TMS (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid, 3TMS Trimethylsilyl (S)-2-amino-3-(3,4-bis((trimethylsilyl)oxy)phenyl)propanoate
Wiley ID 1818429