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N,N-dimethylarginine, 3TMS
SpectraBase Compound ID 6GUteiXphuI
InChI InChI=1S/C17H42N4O2Si3/c1-21(2)17(20-25(6,7)8)18-14-12-13-15(19-24(3,4)5)16(22)23-26(9,10)11/h15,19H,12-14H2,1-11H3,(H,18,20)/t15-/m0/s1
InChIKey YJBWXQRMJIRVQD-HNNXBMFYSA-N
Mol Weight 418.8 g/mol
Molecular Formula C17H42N4O2Si3
Exact Mass 418.261556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOEVJ50M1qh
Name N,N-dimethylarginine, 3TMS
Alternate Name(s) Dimethyl-L-arginine, 3TMS N(G)-Dimethylarginine, 3TMS ADMA, 3TMS NG,NG-dimethyl-L-arginine, 3TMS Lopac-D-4268, 3TMS (2S)-2-amino-5-[(amino-dimethylaminomethylidene)amino]pentanoic acid, 3TMS Trimethylsilyl (E)-Nw,Nw-dimethyl-N2,Nw'-bis(trimethylsilyl)-L-argininate
Comments Derivatization type: 3 TMS (mass: 418.262); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000185; Note: The molecular formula of the structure shown is C8H18N4O2 - which differs from the formula reported for the mass spectrum (C17H42N4O2Si3)
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Formula C17H42N4O2Si3
InChI InChI=1S/C17H42N4O2Si3/c1-21(2)17(20-25(6,7)8)18-14-12-13-15(19-24(3,4)5)16(22)23-26(9,10)11/h15,19H,12-14H2,1-11H3,(H,18,20)/t15-/m0/s1
InChIKey YJBWXQRMJIRVQD-HNNXBMFYSA-N
Molecular Weight 418.804 g/mol
SMILES N(CCC[C@@](C(=O)O[Si](C)(C)C)(N[Si](C)(C)C)[H])\C(=N/[Si](C)(C)C)N(C)C
SPLASH splash10-0f6w-1920000000-ffb34faa5c227e6b3eb7
Source of Spectrum FM-2019-185-0
Wiley ID 1817876