6-甲巰基嘌呤(50-66-8)核磁圖(1HNMR)
InChI:InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)
InChIKey: UIJIQXGRFSPYQW-UHFFFAOYSA-N
Smiles:N1C2C(=NC=NC=2SC)NC=1
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Mass
MS-NW-1915
6-(methylthio)purine
C6H6N4S (Mass of molecular ion: 166)
Source Temperature: 180 °C
Sample Temperature: 140 °C
Direct, 75 eV
15.0 1.7
17.0 1.3
18.0 7.1
27.0 1.7
28.0 20.1
38.0 5.4
39.0 4.2
40.0 2.4
41.0 1.4
43.0 1.3
44.0 2.1
45.0 8.4
46.0 2.3
47.0 2.4
53.0 4.3
55.0 1.0
57.0 1.1
58.0 1.5
59.0 1.5
64.0 1.9
65.0 9.7
66.0 16.1
67.0 3.5
70.0 7.6
71.0 3.4
80.0 1.2
83.0 1.9
85.0 1.0
86.0 2.1
92.0 8.1
93.0 42.2
94.0 6.2
97.0 4.9
106.0 4.4
111.0 2.5
119.0 6.8
120.0 23.5
121.0 14.3
122.0 1.1
124.0 1.8
133.0 1.1
134.0 2.7
138.0 1.6
165.0 32.1
166.0 100.0
167.0 10.2
168.0 4.9