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(E)-7-(2-Methylnitrosamino)ethyl)guanine

View entire compound with spectra: 3 MS (GC)

(E)-7-(2-Methylnitrosamino)ethyl)guanine
SpectraBase Compound ID EttD0LWGHtc
InChI InChI=1S/C8H11N7O2/c1-14(13-17)2-3-15-4-10-6-5(15)7(16)12-8(9)11-6/h4H,2-3H2,1H3,(H3,9,11,12,16)
InChIKey PWFOIVUBBQIPAT-UHFFFAOYSA-N
Mol Weight 237.22 g/mol
Molecular Formula C8H11N7O2
Exact Mass 237.097423 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eu9WfYDdGJi
Name (E)-7-(2-Methylnitrosamino)ethyl)guanine
Alternate Name(s) (Z)-7-(2-Methylnitrosamino)ethyl)guanine 7-(2-Methylnitrosamino)ethyl)guanine 2-Amino-7-[2-(1-methyl-2-oxohydrazino)ethyl]-1,7-dihydro-6H-purin-6-one
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Formula C8H11N7O2
InChI InChI=1S/C8H11N7O2/c1-14(13-17)2-3-15-4-10-6-5(15)7(16)12-8(9)11-6/h4H,2-3H2,1H3,(H3,9,11,12,16)
InChIKey PWFOIVUBBQIPAT-UHFFFAOYSA-N
Molecular Weight 237.223 g/mol
SMILES N1C(c2c(N=C1N)nc[n]2CCN(N=O)C)=O
SPLASH splash10-000i-0390000000-92b2af5f432792033c37
Source of Spectrum C-118-11002-14
Wiley ID 760143