6-Chloroguanine(10310-21-1) IR2
Molecular FormulaC5H4ClN5
Molecular Weight169.57
InChIInChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
InChIKey RYYIULNRIVUMTQ-UHFFFAOYSA-N
SmilesN1C2C(=NC(N)=NC=2Cl)NC=1
-
Mass
MS-NW-8072
2-amino-6-chloropurine
C5H4ClN5 (Mass of molecular ion: 169)
Source Temperature: 200 °C
Sample Temperature: 180 °C
Direct, 75 eV
18.0 3.1
27.0 5.0
28.0 41.3
29.0 1.3
36.0 1.2
38.0 7.4
39.0 2.9
40.0 1.7
42.0 3.0
43.0 18.1
47.0 1.3
52.0 1.1
53.0 21.2
54.0 11.6
55.0 1.9
62.0 5.3
63.0 1.0
64.0 4.4
65.0 8.6
66.0 2.5
67.0 2.8
68.0 4.9
73.0 2.1
75.0 1.0
79.0 1.5
80.0 7.3
84.5 1.5
86.0 2.4
87.0 1.8
88.0 4.6
89.0 1.8
90.0 1.5
91.0 1.4
92.0 12.1
99.0 1.2
100.0 1.4
106.0 2.7
107.0 24.5
108.0 1.9
114.0 3.2
115.0 4.1
116.0 1.2
117.0 1.5
133.0 6.7
134.0 88.4
135.0 6.4
141.0 3.5
143.0 1.2
169.0 100.0
170.0 8.0
171.0 32.6
172.0 2.5