Guanine hydrochloride(635-39-2) MS
Product NameGuanine hydrochloride
CAS635-39-2
Molecular FormulaC5H6ClN5O
Molecular Weight187.59
InChIInChI=1S/C5H5N5O.ClH/c6-5-9-3-2(4(11)10-5)7-1-8-3;/h1H,(H4,6,7,8,9,10,11);1H
InChIKey IBAOFQIOOBQLHE-UHFFFAOYSA-N
SmilesN1C2=C(N=C(NC2=O)N)N=C1.[H]Cl
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MassMS-NW-8322 guanine hydrochloride C5H5N5O HCl (Mass of molecular ion: 151)
Source Temperature: 250 °C Sample Temperature: 270 °C Direct, 75 eV
17.0 1.1 18.0 4.6 27.0 6.9 28.0 30.6 29.0 3.2 35.0 1.2 36.0 9.2 38.0 4.2 39.0 2.2 40.0 1.2 41.0 1.5 42.0 7.7 43.0 47.8 44.0 13.9 52.0 1.3 53.0 19.1 54.0 25.7 55.0 5.1 56.0 1.5 65.0 1.0 66.0 1.4 67.0 1.3 68.0 5.2 69.0 9.7 70.0 2.5 75.5 1.6 79.0 2.4 80.0 3.4 81.0 8.5 82.0 4.2 83.0 2.0 96.0 2.7 97.0 1.2 106.0 3.5 107.0 1.4 108.0 10.0 109.0 21.8 110.0 21.5 111.0 1.2 123.0 1.4 124.0 1.4 134.0 9.5 135.0 5.9 151.0 100.0 152.0 8.0
parameter in D2O
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1H NMR 300 MHz C5 H5 N5 O saturated in D2O guanine hydrochloride 
Parameter ppm Hz
D(A) 8.751
Hz ppm Int.2625.30 8.751 1000
in DMSO-d6
KBr disc
nujol mull
