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Methylhistidine
SpectraBase Compound ID Cm61PRVB7Tz
InChI InChI=1S/C7H11N3O2/c1-8-6(7(11)12)2-5-3-9-4-10-5/h3-4,6,8H,2H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKey CYZKJBZEIFWZSR-LURJTMIESA-N
Mol Weight 169.18 g/mol
Molecular Formula C7H11N3O2
Exact Mass 169.085127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9hDj8bAba81
Name Methylhistidine
Alternate Name(s) (2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoic acid (2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propionic acid (2S)-3-(1H-imidazol-5-yl)-2-(methylammonio)propanoate (2S)-3-(1H-imidazol-5-yl)-2-(methylammonio)propionate (2S)-3-(1H-imidazol-5-yl)-2-(methylazaniumyl)propanoate
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Formula C7H11N3O2
InChI InChI=1S/C7H11N3O2/c1-8-6(7(11)12)2-5-3-9-4-10-5/h3-4,6,8H,2H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKey CYZKJBZEIFWZSR-LURJTMIESA-N
Molecular Weight 169.184 g/mol
SMILES OC([C@](Cc1nc[nH]c1)(NC)[H])=O
SPLASH splash10-0002-9000000000-002b7d54ffe0def98b05
Source of Spectrum JZ-1992-1444-0
Wiley ID 1165644