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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 72wc1ahMhn2
Name guanidinosuccinate, 4TMS, 1MEOX
Comments Non-derivatized structure shown; Derivatization type: 4 TMS (mass: 492.244); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001000; Note: The molecular formula of the structure shown is C5H9N3O4 - which differs from the formula reported for the mass spectrum (C18H44N4O4Si4)
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Formula C18H44N4O4Si4
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 splash10-0005-1922200000-a0133279fb8f7439c23a
Source of Spectrum FM-2019-1000-0
Synonyms Guanidinosuccinic acid, 4TMS, 1MEOX L-N-Amidinoaspartic acid, 4TMS, 1MEOX N-Amidino-L-aspartic acid, 4TMS, 1MEOX G7379_SIGMA, 4TMS, 1MEOX Aspartic acid, N-amidino- (7CI), 4TMS, 1MEOX NSC49078, 4TMS, 1MEOX 2-(diaminomethylideneamino)butanedioic acid, 4TMS, 1MEOX Carbamimidoylaspartic acid
Wiley ID 1818660