Nalpha-乙酰-L-組氨酸 單水合物(39145-52-3)紅外圖譜(IR2)
分子式:C8H11N3O3.H2O
分子量: 215.21
InChI:InChI=1/C8H11N3O3.H2O/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6;/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14);1H2/t7-;/s3
InChIKey: PSWSDQRXCOJSFC-WMASNCOMNA-N
Smiles:N1C=NC(C[C@@H](NC(C)=O)C(=O)O)=C1.O |&1:5,r|
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Mass
MS-NW-1914
N-acetyl-DL-histidine
C8H11N3O3 H2O (Mass of molecular ion: 197)
Source Temperature: 240 °C
Sample Temperature: 260 °C
Direct, 75 eV
14.0 2.5
15.0 10.8
17.0 3.6
18.0 15.0
26.0 4.4
27.0 8.4
28.0 39.0
29.0 4.1
30.0 6.7
31.0 1.3
36.0 1.3
37.0 1.2
38.0 3.5
39.0 10.2
40.0 6.0
41.0 10.7
42.0 9.5
43.0 58.5
44.0 17.6
45.0 3.4
51.0 1.6
52.0 6.4
53.0 5.0
54.0 22.3
55.0 11.6
56.0 6.9
57.0 3.0
60.0 8.6
65.0 1.7
66.0 4.1
67.0 3.3
68.0 4.6
69.0 4.7
70.0 1.4
71.0 1.4
73.0 1.0
74.0 4.9
79.0 1.5
80.0 2.3
81.0 100.0
82.0 70.5
83.0 14.7
84.0 2.1
92.0 2.0
93.0 11.3
94.0 39.0
95.0 5.8
96.0 1.0
97.0 1.2
98.0 1.0
99.0 1.5
106.0 1.0
107.0 2.3
108.0 3.9
109.0 12.9
110.0 52.9
111.0 4.3
120.0 15.7
121.0 4.3
133.0 2.8
134.0 3.0
135.0 2.1
136.0 3.1
137.0 4.8
138.0 22.7
139.0 3.6
151.0 7.3
152.0 10.7
153.0 4.5
154.0 2.7
179.0 4.3
197.0 9.3
198.0 1.0