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canavanine, 1TMS
SpectraBase Compound ID GqmQVWsl5To
InChI InChI=1S/C8H20N4O3Si/c1-16(2,3)15-7(13)6(9)4-5-14-12-8(10)11/h6H,4-5,9H2,1-3H3,(H4,10,11,12)
InChIKey ZWBNMVKEBXFACN-UHFFFAOYSA-N
Mol Weight 248.36 g/mol
Molecular Formula C8H20N4O3Si
Exact Mass 248.130467 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IRxodxEfFzo
Name canavanine, 1TMS
Comments Derivatization type: 1 TMS (mass: 248.13); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000787; Note: The molecular formula of the structure shown is C5H12N4O3 - which differs from the formula reported for the mass spectrum (C8H20N4O3Si)
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Formula C8H20N4O3Si
InChI InChI=1S/C8H20N4O3Si/c1-16(2,3)15-7(13)6(9)4-5-14-12-8(10)11/h6H,4-5,9H2,1-3H3,(H4,10,11,12)
InChIKey ZWBNMVKEBXFACN-UHFFFAOYSA-N
Molecular Weight 248.358 g/mol
SMILES N(C(=N)N)OCCC(C(=O)O[Si](C)(C)C)N
SPLASH splash10-0zfs-1900000000-e9cc0a1ee0764e4c6122
Source of Spectrum FM-2019-787-0
Synonyms L-canavanine, 1TMS Canavanin, 1TMS (L)-CANAVANINE, 1TMS C1625_SIGMA, 1TMS HSDB 3471, 1TMS 2-Amino-4-(diaminomethylideneamino)oxybutanoic acid, 1TMS Trimethylsilyl O-guanidinohomoserinate
Wiley ID 1818461