西咪替丁(51481-61-9)Raman光譜
分子式:C10H16N6S
分子量: 252.34
InChI:InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
InChIKey: AQIXAKUUQRKLND-UHFFFAOYSA-N
Smiles:N(C#N)C(=NC)NCCSCC1NC=NC=1C
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Mass
MS-IW-3607
cimetidine
C10H16N6S (Mass of molecular ion: 252)
Source Temperature: 160 °C
Sample Temperature: 150 °C
Direct, 75 eV
15.0 2.8
26.0 3.2
27.0 3.7
28.0 9.5
29.0 1.4
30.0 19.7
31.0 1.1
32.0 1.3
39.0 2.3
40.0 2.5
41.0 10.5
42.0 17.7
43.0 4.2
44.0 9.4
45.0 3.3
46.0 1.2
47.0 1.2
51.0 1.1
52.0 4.0
53.0 10.9
54.0 9.7
55.0 7.1
56.0 4.8
57.0 26.8
58.0 3.2
59.0 6.2
60.0 3.7
61.0 2.2
62.0 1.0
66.0 1.0
67.0 5.3
68.0 12.3
69.0 10.9
70.0 2.2
71.0 1.4
72.0 1.4
73.0 4.6
74.0 1.4
76.0 3.1
80.0 1.6
81.0 4.8
82.0 30.6
83.0 14.9
84.0 2.2
85.0 1.6
86.0 1.1
87.0 1.3
94.0 14.8
95.0 100.0
96.0 94.4
97.0 14.3
98.0 18.7
99.0 45.1
100.0 3.7
101.0 1.6
102.0 2.0
109.0 1.2
110.0 1.6
111.0 40.5
112.0 13.5
113.0 1.1
115.0 3.6
116.0 2.0
117.0 2.3
121.0 1.5
123.0 1.5
124.0 2.0
125.0 39.8
126.0 67.0
127.0 50.4
128.0 21.9
129.0 3.2
130.0 1.4
142.0 1.9
157.0 25.3
158.0 24.8
159.0 5.1
160.0 1.4
206.0 2.8
219.0 1.5
252.0 59.5
253.0 9.1
254.0 3.2