2-Aminopurine nitrate salt(51-16-1) MS
Product Name2-Aminopurine nitrate salt
CAS51-16-1
Molecular FormulaC5H6N6O3
Molecular Weight198.14
InChIInChI=1S/C5H5N5.HNO3/c6-5-7-1-3-4(10-5)9-2-8-3;2-1(3)4/h1-2H,(H3,6,7,8,9,10);(H,2,3,4)
InChIKey PGDNOZBGABWZLD-UHFFFAOYSA-N
SmilesC12NC=NC=1N=C(N)N=C2.[N+]([O-])(=O)O
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MassMS-NW-7108 2-aminopurine nitrate C5H5N5 HNO3 (Mass of molecular ion: 135)
Source Temperature: 190 °C Sample Temperature: 140 °C Direct, 75 eV
17.0 1.1 18.0 4.1 27.0 3.0 28.0 16.7 29.0 1.6 30.0 6.4 34.0 1.0 38.0 2.7 39.0 3.0 40.0 1.7 42.0 1.7 43.0 5.5 46.0 17.7 48.0 1.3 50.0 1.1 52.0 3.9 53.0 8.8 54.0 11.1 55.0 2.2 56.0 1.2 58.0 1.3 65.0 2.7 66.0 15.1 67.0 2.2 67.5 2.1 68.0 3.0 80.0 3.4 81.0 20.9 82.0 1.3 84.0 8.1 92.0 1.9 93.0 1.0 94.0 3.1 107.0 4.6 108.0 13.3 109.0 1.4 134.0 12.3 135.0 100.0 136.0 7.4 150.0 2.0
90 MHz in D2O
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C5 H5 N5 0.040 g : 0.5 ml D2O 2-aminopurine nitrate 
Assign. Shift(ppm)
A 8.704 B 8.496 THE SOLVENT SIGNAL REMOVED.
Hz ppm Int.779.69 8.706 874 763.00 8.520 189 760.94 8.497 1000
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1H NMR 89.56 MHz C5 H5 N5 0.020 g : 0.5 ml DMSO-d6 2-aminopurine nitrate Assign. Shift(ppm)
A 9. B 8.948 C 8.675
Hz ppm Int.831.62 9.286 50 801.39 8.949 1000 776.95 8.676 922
KBr disc
