8-氮杂黄嘌呤(1468-26-4)红外图谱(IR2)
InChI:InChI=1S/C4H3N5O2/c10-3-1-2(8-9-7-1)5-4(11)6-3/h(H3,5,6,7,8,9,10,11)
InChIKey: KVGVQTOQSNJTJI-UHFFFAOYSA-N
Smiles:C1(=O)NC(=O)C2N=NNC=2N1
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Mass
MS-NW-5321
8-azaxanthine
C4H3N5O2 H2O (Mass of molecular ion: 153)
Source Temperature: 190 °C
Sample Temperature: 140 °C
Direct, 75 eV
12.0 1.3
13.0 1.7
16.0 1.3
17.0 4.1
18.0 12.7
24.0 1.1
25.0 1.3
26.0 2.0
27.0 22.0
28.0 25.1
29.0 18.1
30.0 1.3
38.0 6.1
39.0 3.4
40.0 1.5
41.0 4.6
42.0 4.0
43.0 13.9
44.0 10.9
52.0 4.5
53.0 84.6
54.0 40.0
55.0 4.7
56.0 1.1
67.0 11.2
68.0 1.9
69.0 6.1
70.0 7.9
82.0 7.1
83.0 1.8
97.0 1.3
110.0 100.0
111.0 5.2
125.0 11.0
127.0 1.2
153.0 93.7
154.0 6.3