紫脲酸铵(3051-09-0)质谱(MS)
InChI:InChI=1S/C8H5N5O6.H3N/c14-3-1(4(15)11-7(18)10-3)9-2-5(16)12-8(19)13-6(2)17;/h(H2,10,11,14,15,18)(H3,12,13,16,17,19);1H3
InChIKey: LJYRLGOJYKPILZ-UHFFFAOYSA-N
Smiles:C1(=C(O)NC(=O)NC1=O)/N=C1\C(=O)NC(=O)NC\1=O.N
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Mass
MS-NW-4871
murexide
C8H8N6O6 H2O (Mass of molecular ion: 284)
Source Temperature: 260 °C
Sample Temperature: 260 °C
Direct, 75 eV
12.0 2.3
14.0 1.4
15.0 3.8
16.0 22.7
17.0 28.9
18.0 16.6
26.0 5.6
27.0 17.7
28.0 27.9
29.0 20.2
30.0 2.6
32.0 1.1
38.0 10.0
39.0 13.4
40.0 8.7
41.0 14.9
42.0 59.1
43.0 100.0
44.0 73.7
45.0 2.9
51.0 1.4
52.0 4.4
53.0 18.4
54.0 34.8
55.0 21.1
56.0 2.4
57.0 2.9
59.0 1.5
60.0 1.9
64.0 6.4
65.0 3.0
66.0 6.5
67.0 17.9
68.0 10.8
69.0 15.1
70.0 30.8
71.0 3.0
77.0 1.2
78.0 1.5
79.0 1.4
80.0 1.8
81.0 2.5
82.0 17.5
83.0 3.5
84.0 1.7
85.0 6.3
86.0 9.3
87.0 2.7
92.0 2.8
93.0 3.0
94.0 2.4
96.0 2.0
97.0 3.6
98.0 5.4
99.0 1.0
100.0 2.6
108.0 1.2
109.0 3.0
110.0 24.8
111.0 3.4
112.0 1.9
113.0 7.9
114.0 5.8
124.0 1.6
125.0 4.3
126.0 2.7
128.0 9.6
129.0 8.8
130.0 1.2
134.0 2.4
135.0 3.5
136.0 1.3
137.0 1.4
138.0 2.9
140.0 3.4
141.0 6.5
151.0 2.3
152.0 1.3
153.0 13.3
154.0 5.3
155.0 3.9
163.0 1.4
166.0 1.5
167.0 1.2
168.0 6.2
169.0 2.2
170.0 1.2
171.0 1.4
177.0 2.0
178.0 2.6
179.0 3.9
180.0 1.8
181.0 2.9
193.0 1.1
194.0 7.3
195.0 2.6
196.0 1.5
205.0 1.2
206.0 1.4
211.0 2.4
222.0 1.6
223.0 1.6
224.0 1.8
239.0 2.6
248.0 4.1
249.0 1.4
254.0 5.4
267.0 13.2
268.0 1.8
REDUCTION WITH L-CYSTEINE