一水肌酸(6020-87-7)紅外圖譜(IR2)
分子式:C4H11N3O3
分子量: 149.15
InChI:InChI=1S/C4H9N3O2.H2O/c1-7(4(5)6)2-3(8)9;/h2H2,1H3,(H3,5,6)(H,8,9);1H2
InChIKey: MEJYXFHCRXAUIL-UHFFFAOYSA-N
Smiles:CN(CC(=O)O)C(=N)N.[H]O[H]
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Mass
MS-NW-0289
(1-methylguanidino)acetic acid
C4H9N3O2 H2O (Mass of molecular ion: 131)
Source Temperature: 210 °C
Sample Temperature: 0 °C
Direct, 75 eV
14.0 2.1
15.0 11.0
17.0 5.3
18.0 25.0
27.0 3.7
28.0 14.1
29.0 1.7
30.0 13.7
39.0 2.3
40.0 4.9
41.0 13.7
42.0 100.0
43.0 86.9
44.0 32.8
45.0 1.2
53.0 2.1
54.0 1.2
55.0 5.8
56.0 5.1
57.0 3.4
58.0 3.3
60.0 1.2
67.0 1.6
68.0 1.3
69.0 10.8
70.0 2.7
71.0 2.2
72.0 4.4
73.0 1.2
81.0 1.3
82.0 1.0
83.0 1.9
84.0 31.7
85.0 6.4
86.0 1.4
87.0 1.7
95.0 1.0
97.0 1.2
98.0 2.8
111.0 1.1
112.0 49.8
113.0 98.5
114.0 5.9