異黃喋呤(529-69-1)紅外圖譜(IR1)
InChI:InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13)
InChIKey: GLKCOBIIZKYKFN-UHFFFAOYSA-N
Smiles:N1C2=C(N=CC(=O)N2)C(=O)NC=1N
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Mass
MS-NW-8168
2-amino-4,7-pteridinediol
C6H5N5O2 (Mass of molecular ion: 179)
Source Temperature: 240 °C
Sample Temperature: 300 °C
Direct, 75 eV
18.0 4.3
27.0 2.8
28.0 13.5
29.0 2.7
38.0 3.1
39.0 3.9
40.0 2.5
41.0 2.0
42.0 5.8
43.0 22.0
44.0 8.6
53.0 5.5
54.0 10.2
55.0 2.5
56.0 2.0
64.0 1.0
65.0 2.4
66.0 3.0
67.0 3.7
68.0 8.9
69.0 8.1
70.0 2.3
75.5 1.2
80.0 1.2
81.0 6.5
82.0 1.9
83.0 2.7
86.0 1.9
93.0 2.0
96.0 1.9
106.0 1.8
108.0 11.8
109.0 16.6
110.0 14.2
111.0 2.3
124.0 3.4
134.0 12.3
135.0 5.3
136.0 1.3
137.0 1.2
138.0 3.8
149.0 1.1
150.0 2.3
151.0 16.0
152.0 1.7
179.0 100.0
180.0 8.8