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cysteine-glycine, 3TMS
SpectraBase Compound ID ADf7BTAYnsh
InChI InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)
InChIKey ZUKPVRWZDMRIEO-UHFFFAOYSA-N
Mol Weight 178.21 g/mol
Molecular Formula C5H10N2O3S
Exact Mass 178.041213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9i6fgybeemq
Name cysteine-glycine, 3TMS
Alternate Name(s) Cysteinylglycine, 3TMS Cys-Gly, 3TMS L-Cysteinylglycine, 3TMS L-Cysteinyl-glycine, 3TMS Glycine, N-cysteinyl, 3TMS Glycine, N-L-cysteinyl-, 3TMS 2-[(2-amino-3-sulfanylpropanoyl)amino]acetic acid, 3TMS cysteinylglycine
Comments Non-derivatized structure shown; Derivatization type: 3 TMS (mass: 394.16); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000218; Note: The molecular formula of the structure shown is C5H10N2O3S - which differs from the formula reported for the mass spectrum (C14H34N2O3SSi3)
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Formula C14H34N2O3SSi3
InChI InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)
InChIKey ZUKPVRWZDMRIEO-UHFFFAOYSA-N
Molecular Weight 178.206 g/mol
SMILES OC(CNC(C(CS)N)=O)=O
SPLASH splash10-0a4i-2790000000-3315bc331c7983650a8a
Source of Spectrum FM-2019-218-0
Wiley ID 1817908