黄嘌呤,8-氯-(13548-68-0)红外图谱(IR1)
分子式:C5H3ClN4O2
分子量: 186.56
InChI:InChI=1S/C5H3ClN4O2/c6-4-7-1-2(8-4)9-5(12)10-3(1)11/h(H3,7,8,9,10,11,12)
InChIKey: OZPCWWUKRLUQSS-UHFFFAOYSA-N
Smiles:N1C2=C(NC(=O)NC2=O)NC=1Cl
-
Mass
MS-NW-1801
8-chloroxanthine
C5H3ClN4O2 (Mass of molecular ion: 186)
Source Temperature: 250 °C
Sample Temperature: 320 °C
Direct, 75 eV
16.0 1.5
17.0 2.1
18.0 10.2
26.0 2.3
27.0 18.5
28.0 20.8
29.0 3.6
35.0 6.2
36.0 43.3
37.0 1.8
38.0 13.8
39.0 3.6
40.0 1.4
41.0 4.0
42.0 5.0
43.0 18.3
44.0 14.8
47.0 1.7
50.0 1.3
51.0 2.8
52.0 4.6
53.0 35.6
54.0 100.0
55.0 6.5
56.0 1.4
57.0 2.1
61.0 1.0
62.0 8.1
64.0 4.3
65.0 1.2
66.0 1.1
67.0 1.5
68.0 1.8
69.0 4.0
70.0 6.7
71.0 1.1
73.0 1.3
77.0 6.9
78.0 3.6
79.0 2.4
80.0 3.2
81.0 1.8
82.0 2.2
83.0 1.3
84.0 1.0
87.0 4.3
88.0 4.2
89.0 1.9
90.0 1.4
93.0 1.0
94.0 1.5
95.0 1.0
97.0 1.9
98.0 1.0
108.0 1.1
109.0 4.0
110.0 1.0
114.0 1.8
115.0 10.8
116.0 1.7
117.0 3.5
124.0 1.3
125.0 4.2
140.0 1.3
141.0 1.7
142.0 1.3
143.0 80.3
144.0 5.0
145.0 26.2
146.0 1.7
152.0 3.7
167.0 1.3
168.0 2.5
186.0 59.0
187.0 4.5
188.0 19.6
189.0 1.5
204.0 1.0