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Theanine 3TMS
SpectraBase Compound ID Jp0rrA2RH5y
InChI InChI=1S/C16H38N2O3Si3/c1-11-18(23(5,6)7)15(19)13-12-14(17-22(2,3)4)16(20)21-24(8,9)10/h14,17H,11-13H2,1-10H3
InChIKey WQKCVUOHZKLPEO-UHFFFAOYSA-N
Mol Weight 390.7 g/mol
Molecular Formula C16H38N2O3Si3
Exact Mass 390.219023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GW8UJ42AVEG
Name Theanine 3TMS
Classification Amino acid derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 390.219022694 u
Formula C16H38N2O3Si3
InChI InChI=1S/C16H38N2O3Si3/c1-11-18(23(5,6)7)15(19)13-12-14(17-22(2,3)4)16(20)21-24(8,9)10/h14,17H,11-13H2,1-10H3
InChIKey WQKCVUOHZKLPEO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 390.746 g/mol
Nominal Mass 390 u
Quality 1000
Retention Index 2739
SMILES C(C(O[Si](C)(C)C)=O)(N[Si](C)(C)C)CCC(N([Si](C)(C)C)CC)=O
SPLASH splash10-00di-3940000000-c5361b125dc7fa73cc97
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms trimethylsilyl 5-(ethyl(trimethylsilyl)amino)-5-oxo-2-((trimethylsilyl)amino)pentanoate
Technique GC/MS
Wiley ID DD2024_034587