6-THIOXANTHINE(2002-59-7) IR2
Molecular FormulaC5H4N4OS
Molecular Weight168.18
InChIInChI=1S/C5H4N4OS/c10-5-8-3-2(4(11)9-5)6-1-7-3/h1H,(H3,6,7,8,9,10,11)
InChIKey RJOXFJDOUQJOMQ-UHFFFAOYSA-N
SmilesN1C2=C(NC(=O)NC2=S)NC=1
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![](https://www.chemicalbook.com/Spectrum/2002-59-7_MS.gif)
Mass
MS-NW-0613
6-thioxanthine
C5H4N4OS (Mass of molecular ion: 168)
Source Temperature: 230 °C
Sample Temperature: 230 °C
Direct, 75 eV
17.0 2.0
18.0 8.9
26.0 1.3
27.0 12.4
28.0 38.7
29.0 1.9
32.0 5.5
33.0 3.6
34.0 7.1
36.0 1.5
38.0 5.2
39.0 3.5
40.0 1.5
41.0 3.4
42.0 1.5
43.0 3.8
44.0 5.1
45.0 7.1
46.0 1.0
52.0 2.7
53.0 28.7
54.0 35.3
55.0 4.9
56.0 1.6
57.0 3.9
58.0 2.2
59.0 6.0
60.0 4.6
64.0 1.2
65.0 1.6
66.0 2.7
67.0 2.0
68.0 1.1
69.0 3.3
70.0 9.5
71.0 32.1
72.0 2.6
73.0 1.7
79.0 5.1
80.0 7.1
81.0 12.9
82.0 1.9
83.0 3.2
84.0 1.6
85.0 1.5
86.0 8.4
87.0 1.7
95.0 1.1
97.0 4.1
98.0 19.5
99.0 1.9
106.0 5.7
107.0 3.8
108.0 5.3
109.0 9.0
110.0 1.0
113.0 1.9
114.0 1.0
124.0 2.0
125.0 41.1
126.0 6.5
127.0 2.2
134.0 15.8
135.0 16.0
136.0 1.4
140.0 3.6
151.0 1.0
152.0 10.7
167.0 1.0
168.0 100.0
169.0 7.9
170.0 5.0