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canavanine, 4TMS
SpectraBase Compound ID 309YJXtRr3X
InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)
InChIKey FSBIGDSBMBYOPN-UHFFFAOYSA-N
Mol Weight 176.18 g/mol
Molecular Formula C5H12N4O3
Exact Mass 176.09094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CSl75Osxuli
Name canavanine, 4TMS
Comments Non-derivatized structure shown; Derivatization type: 4 TMS (mass: 464.249); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000786; Note: The molecular formula of the structure shown is C5H12N4O3 - which differs from the formula reported for the mass spectrum (C17H44N4O3Si4)
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Formula C17H44N4O3Si4
InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)
InChIKey FSBIGDSBMBYOPN-UHFFFAOYSA-N
Molecular Weight 176.176 g/mol
SMILES N(C(=N)N)OCCC(C(=O)O)N
SPLASH splash10-0uka-1930000000-8f801d560e817628f30d
Source of Spectrum FM-2019-786-0
Synonyms L-canavanine, 4TMS Canavanin, 4TMS (L)-CANAVANINE, 4TMS C1625_SIGMA, 4TMS HSDB 3471, 4TMS 2-Amino-4-(diaminomethylideneamino)oxybutanoic acid, 4TMS O-guanidinohomoserine
Wiley ID 1818460