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N,N-dimethylhistidine, 1TMS
SpectraBase Compound ID 9X71MWwniu5
InChI InChI=1S/C11H21N3O2Si/c1-14(2)10(6-9-7-12-8-13-9)11(15)16-17(3,4)5/h7-8,10H,6H2,1-5H3,(H,12,13)/t10-/m0/s1
InChIKey UFQFLGMHPLAGDP-JTQLQIEISA-N
Mol Weight 255.39 g/mol
Molecular Formula C11H21N3O2Si
Exact Mass 255.140303 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwUDmaA1X4p
Name N,N-dimethylhistidine, 1TMS
Comments Derivatization type: 1 TMS (mass: 255.14); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001065; Note: The molecular formula of the structure shown is C8H13N3O2 - which differs from the formula reported for the mass spectrum (C11H21N3O2Si)
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Formula C11H21N3O2Si
InChI InChI=1S/C11H21N3O2Si/c1-14(2)10(6-9-7-12-8-13-9)11(15)16-17(3,4)5/h7-8,10H,6H2,1-5H3,(H,12,13)/t10-/m0/s1
InChIKey UFQFLGMHPLAGDP-JTQLQIEISA-N
Molecular Weight 255.393 g/mol
SMILES [nH]1c(cnc1)C[C@@](C(=O)O[Si](C)(C)C)(N(C)C)[H]
SPLASH splash10-0072-4900000000-dbe3b83a429dac4fc0c8
Source of Spectrum FM-2019-1065-0
Synonyms Nalpha,Nalpha-Dimethyl-L-histidine, 1TMS CHEBI:16029, 1TMS N(alpha),N(alpha)-dimethyl-L-histidine, 1TMS C04259, 1TMS (2S)-2-(dimethylamino)-3-(1H-imidazol-4-yl)propanoic acid, 1TMS (2S)-2-dimethylamino-3-(3H-imidazol-4-yl)propanoic acid, 1TMS Trimethylsilyl Na,Na-dimethyl-L-histidinate
Wiley ID 1818723