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5-Hydroxytryptophan 4TMS
SpectraBase Compound ID 5UBYczk3uTS
InChI InChI=1S/C23H44N2O3Si4/c1-29(2,3)24-21(23(26)28-32(10,11)12)15-18-17-25(30(4,5)6)22-14-13-19(16-20(18)22)27-31(7,8)9/h13-14,16-17,21,24H,15H2,1-12H3
InChIKey OPTSZAFVDMCAQY-UHFFFAOYSA-N
Mol Weight 509.0 g/mol
Molecular Formula C23H44N2O3Si4
Exact Mass 508.242899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CpfdFEYBT4H
Name 5-Hydroxytryptophan, 4TMS
Comments Derivatization type: 4 TMS (mass: 508.243); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000755; Note: The molecular formula of the structure shown is C11H12N2O3 - which differs from the formula reported for the mass spectrum (C23H44N2O3Si4)
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Formula C23H44N2O3Si4
InChI InChI=1S/C23H44N2O3Si4/c1-29(2,3)24-21(23(26)28-32(10,11)12)15-18-17-25(30(4,5)6)22-14-13-19(16-20(18)22)27-31(7,8)9/h13-14,16-17,21,24H,15H2,1-12H3
InChIKey OPTSZAFVDMCAQY-UHFFFAOYSA-N
Molecular Weight 508.956 g/mol
SMILES N(C(Cc1c[n](c2ccc(cc12)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C
SPLASH splash10-0006-0390000000-3c19ae217ad78448c30f
Source of Spectrum FM-2019-755-0
Synonyms Oxitriptan, 4TMS Oxytryptophan, 4TMS Cincofarm, 4TMS Levothym, 4TMS Pretonine, 4TMS 2-Amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid, 4TMS Trimethylsilyl 3-(1-(trimethylsilyl)-5-((trimethylsilyl)oxy)-1H-indol-3-yl)-2-((trimethylsilyl)amino)propanoate
Wiley ID 1818431