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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 AoWMPbX20gK
Name cysteine-glycine, 2TMS
Alternate Name(s) Cysteinylglycine, 2TMS Cys-Gly, 2TMS L-Cysteinylglycine, 2TMS L-Cysteinyl-glycine, 2TMS Glycine, N-cysteinyl, 2TMS Glycine, N-L-cysteinyl-, 2TMS 2-[(2-amino-3-sulfanylpropanoyl)amino]acetic acid, 2TMS cysteinylglycine
Comments Non-derivatized structure shown; Derivatization type: 2 TMS (mass: 322.12); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000217; Note: The molecular formula of the structure shown is C5H10N2O3S - which differs from the formula reported for the mass spectrum (C11H26N2O3SSi2)
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Formula C11H26N2O3SSi2
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 splash10-00lj-1910000000-7e49287033d66e178455
Source of Spectrum FM-2019-217-0
Wiley ID 1817907