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guanidinosuccinate, 2TMS, 1MEOX
SpectraBase Compound ID BdWgxOnuCgF
InChI InChI=1S/C5H9N3O4/c6-5(7)8-2(4(11)12)1-3(9)10/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8)
InChIKey VVHOUVWJCQOYGG-UHFFFAOYSA-N
Mol Weight 175.14 g/mol
Molecular Formula C5H9N3O4
Exact Mass 175.059306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMexuRDjSyW
Name guanidinosuccinate, 3TMS, 1MEOX
Comments Non-derivatized structure shown; Derivatization type: 3 TMS (mass: 420.204); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000999; Note: The molecular formula of the structure shown is C5H9N3O4 - which differs from the formula reported for the mass spectrum (C15H36N4O4Si3)
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Formula C15H36N4O4Si3
InChI InChI=1S/C5H9N3O4/c6-5(7)8-2(4(11)12)1-3(9)10/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8)
InChIKey VVHOUVWJCQOYGG-UHFFFAOYSA-N
Molecular Weight 175.144 g/mol
SMILES OC(C(CC(=O)O)NC(=N)N)=O
SPLASH splash10-0uka-1942000000-d4aa8161c4fe357f5ee8
Source of Spectrum FM-2019-999-0
Synonyms Guanidinosuccinic acid, 3TMS, 1MEOX L-N-Amidinoaspartic acid, 3TMS, 1MEOX N-Amidino-L-aspartic acid, 3TMS, 1MEOX G7379_SIGMA, 3TMS, 1MEOX Aspartic acid, N-amidino- (7CI), 3TMS, 1MEOX NSC49078, 3TMS, 1MEOX 2-(diaminomethylideneamino)butanedioic acid, 3TMS, 1MEOX Carbamimidoylaspartic acid
Wiley ID 1818659