乙二醛二(缩氨基硫脲)(1072-12-4)质谱(MS)
InChI:InChI=1S/C4H8N6S2/c5-3(11)9-7-1-2-8-10-4(6)12/h1-2H,(H3,5,9,11)(H3,6,10,12)
InChIKey: BZKLDUBXTMDNMW-UHFFFAOYSA-N
Smiles:C(=NNC(N)=S)C=NNC(N)=S
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Mass
MS-NW-7433
glyoxal di(thiosemicarbazone)
C4H8N6S2 (Mass of molecular ion: 204)
Source Temperature: 180 °C
Sample Temperature: 230 °C
Direct, 75 eV
12.0 2.1
13.0 2.6
14.0 2.2
15.0 3.4
16.0 62.0
17.0 86.6
18.0 14.3
25.0 1.3
26.0 8.7
27.0 28.4
28.0 50.1
29.0 7.8
29.5 3.3
30.0 6.0
31.0 5.9
32.0 58.4
33.0 18.0
34.0 31.9
35.0 1.2
36.0 2.0
38.0 4.3
39.0 4.3
40.0 9.9
41.0 14.5
42.0 36.9
43.0 56.1
44.0 21.3
45.0 16.7
46.0 6.7
47.0 6.8
48.0 3.8
51.0 1.2
52.0 2.9
53.0 3.8
54.0 2.0
55.0 3.4
56.0 6.1
57.0 11.4
58.0 24.7
59.0 100.0
60.0 65.6
61.0 6.8
62.0 3.4
64.0 7.0
67.0 2.4
68.0 3.2
69.0 6.5
70.0 4.4
71.0 2.8
72.0 3.3
73.0 4.3
74.0 28.4
75.0 3.9
76.0 59.6
77.0 3.4
78.0 6.0
82.0 1.2
83.0 1.5
84.0 4.8
85.0 13.3
86.0 2.8
87.0 1.4
91.0 13.0
93.0 1.0
96.0 1.2
98.0 1.0
99.0 1.5
100.0 4.3
101.0 20.4
102.0 14.8
103.0 9.0
104.0 1.1
111.0 1.4
112.0 4.4
113.0 10.6
114.0 2.0
115.0 10.2
116.0 7.5
117.0 2.1
118.0 1.0
126.0 2.6
127.0 2.4
128.0 10.7
129.0 12.3
130.0 2.4
131.0 1.7
132.0 2.1
133.0 18.6
134.0 1.3
135.0 2.0
141.0 1.1
142.0 1.2
143.0 1.3
145.0 15.8
146.0 1.1
147.0 1.7
152.0 1.7
153.0 1.2
160.0 1.6
168.0 1.4
170.0 1.2
185.0 3.0
187.0 11.5
189.0 1.1
204.0 2.3
400 MHz in DMSO-d6 at 60C