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2-amino-9-(4-hydroxy-3-methylol-butyl)-3,7-dihydropurine-6,8-quinone
SpectraBase Compound ID KBmvR2c0hdE
InChI InChI=1S/C10H15N5O4/c11-9-13-7-6(8(18)14-9)12-10(19)15(7)2-1-5(3-16)4-17/h5,16-17H,1-4H2,(H,12,19)(H3,11,13,14,18)
InChIKey OYYDDCOWUCXFCG-UHFFFAOYSA-N
Mol Weight 269.26 g/mol
Molecular Formula C10H15N5O4
Exact Mass 269.112404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JrvR9dfb62m
Name 2-amino-9-(4-hydroxy-3-methylol-butyl)-3,7-dihydropurine-6,8-quinone
Alternate Name(s) 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3,7-dihydropurine-6,8-dione 2-azanyl-9-[3-(hydroxymethyl)-4-oxidanyl-butyl]-3,7-dihydropurine-6,8-dione
Comments Less than 3 mono-isotopic peaks
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Formula C10H15N5O4
InChI InChI=1S/C10H15N5O4/c11-9-13-7-6(8(18)14-9)12-10(19)15(7)2-1-5(3-16)4-17/h5,16-17H,1-4H2,(H,12,19)(H3,11,13,14,18)
InChIKey OYYDDCOWUCXFCG-UHFFFAOYSA-N
Molecular Weight 269.261 g/mol
SMILES NC1=Nc2c(nc([n]2CCC(CO)CO)O)C(N1)=O
SPLASH splash10-014i-0940000000-095db5dd9094f85ee6fd
Source of Spectrum C5-2003-2791-14
Wiley ID 1616289