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Tryptophan <N-acetyl->, mono-O-TMS
SpectraBase Compound ID HYmrlKQFC7W
InChI InChI=1S/C16H22N2O3Si/c1-11(19)18-15(16(20)21-22(2,3)4)9-12-10-17-14-8-6-5-7-13(12)14/h5-8,10,15,17H,9H2,1-4H3,(H,18,19)
InChIKey BRTJRJXMASIJNG-UHFFFAOYSA-N
Mol Weight 318.45 g/mol
Molecular Formula C16H22N2O3Si
Exact Mass 318.139969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mPCLf3DQgV
Name N-acetyl-tryptophan, 1TMS
Comments Derivatization type: 1 TMS (mass: 318.14); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000072; Note: The molecular formula of the structure shown is C13H14N2O3 - which differs from the formula reported for the mass spectrum (C16H22N2O3Si)
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Formula C16H22N2O3Si
InChI InChI=1S/C16H22N2O3Si/c1-11(19)18-15(16(20)21-22(2,3)4)9-12-10-17-14-8-6-5-7-13(12)14/h5-8,10,15,17H,9H2,1-4H3,(H,18,19)
InChIKey BRTJRJXMASIJNG-UHFFFAOYSA-N
Molecular Weight 318.448 g/mol
SMILES N(C(C)=O)C(Cc1c[nH]c2ccccc12)C(=O)O[Si](C)(C)C
SPLASH splash10-001i-0910000000-c0c8d3fabcc2c71226d6
Source of Spectrum FM-2019-72-0
Synonyms N-Acetyltryptophan, 1TMS Acetyltryptophan, 1TMS Acetyl tryptophan, 1TMS Acetyl-L-tryptophan, 1TMS Acetyl-L-trp, 1TMS AC-Try, 1TMS 2-Acetamido-3-(1H-indol-3-yl)propanoic acid, 1TMS Trimethylsilyl acetyltryptophanate
Wiley ID 1817768