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N-acetyl-tryptophan, 3TMS

View entire compound with spectra: 1 MS (GC)

N-acetyl-tryptophan, 3TMS
SpectraBase Compound ID BGlSU6v2cHK
InChI InChI=1S/C22H38N2O3Si3/c1-17(25)24(29(5,6)7)21(22(26)27-30(8,9)10)15-18-16-23(28(2,3)4)20-14-12-11-13-19(18)20/h11-14,16,21H,15H2,1-10H3
InChIKey DVIWXFMJVZQXJX-UHFFFAOYSA-N
Mol Weight 462.8 g/mol
Molecular Formula C22H38N2O3Si3
Exact Mass 462.219023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A6ZRvOSIK1O
Name N-acetyl-tryptophan, 3TMS
Alternate Name(s) N-Acetyltryptophan, 3TMS Acetyltryptophan, 3TMS Acetyl tryptophan, 3TMS Acetyl-L-tryptophan, 3TMS Acetyl-L-trp, 3TMS AC-Try, 3TMS 2-Acetamido-3-(1H-indol-3-yl)propanoic acid, 3TMS Trimethylsilyl Na-acetyl-Na,1-bis(trimethylsilyl)tryptophanate
Comments Derivatization type: 3 TMS (mass: 462.219); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000070; Note: The molecular formula of the structure shown is C13H14N2O3 - which differs from the formula reported for the mass spectrum (C22H38N2O3Si3)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H38N2O3Si3
InChI InChI=1S/C22H38N2O3Si3/c1-17(25)24(29(5,6)7)21(22(26)27-30(8,9)10)15-18-16-23(28(2,3)4)20-14-12-11-13-19(18)20/h11-14,16,21H,15H2,1-10H3
InChIKey DVIWXFMJVZQXJX-UHFFFAOYSA-N
Molecular Weight 462.812 g/mol
SMILES CC(N(C(Cc1c[n](c2ccccc12)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)=O
SPLASH splash10-0udi-0390000000-75a94eff0401c9057342
Source of Spectrum FM-2019-70-0
Wiley ID 1817766