氯乙?；?DL-異亮氨酸(1115-24-8)核磁圖(13CNMR)
分子式:C8H14ClNO3
分子量: 207.65
InChI:InChI=1S/C8H14ClNO3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4H2,1-2H3,(H,10,11)(H,12,13)/t5-,7-/m0/s1
InChIKey: HEZNGQNQHGVQLO-FSPLSTOPSA-N
Smiles:C(O)(=O)[C@H]([C@@H](C)CC)NC(CCl)=O
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Mass
MS-NW-2279
N-chloroacetyl-DL-isoleucine
C8H14ClNO3 (Mass of molecular ion: 207)
Source Temperature: 190 °C
Sample Temperature: 150 °C
Direct, 75 eV
14.0 2.1
15.0 3.2
17.0 2.4
18.0 12.1
26.0 2.3
27.0 16.8
28.0 29.9
29.0 43.8
30.0 19.9
31.0 2.6
35.0 1.8
36.0 16.1
38.0 5.7
39.0 14.9
40.0 3.7
41.0 55.7
42.0 20.0
43.0 11.8
44.0 6.9
45.0 3.9
46.0 2.3
49.0 11.9
50.0 1.3
51.0 3.7
52.0 1.7
53.0 4.5
54.0 5.3
55.0 12.1
56.0 14.8
57.0 45.8
58.0 5.3
59.0 1.4
60.0 1.3
67.0 3.1
68.0 4.0
69.0 31.4
70.0 12.6
71.0 2.0
73.0 1.5
74.0 28.2
75.0 5.9
76.0 1.3
77.0 11.5
78.0 1.0
79.0 3.6
80.0 1.1
81.0 1.1
82.0 1.8
83.0 2.0
84.0 6.4
85.0 1.8
86.0 20.9
87.0 5.5
88.0 1.0
94.0 16.2
95.0 1.4
96.0 14.3
97.0 4.5
98.0 11.7
99.0 6.2
105.0 6.3
106.0 11.2
107.0 2.5
108.0 3.3
112.0 1.3
114.0 11.0
115.0 21.4
116.0 2.2
117.0 1.3
126.0 1.2
127.0 2.1
128.0 6.7
130.0 2.1
132.0 1.4
133.0 100.0
134.0 6.6
135.0 32.2
136.0 1.8
151.0 32.5
152.0 2.3
153.0 11.1
158.0 1.0
160.0 1.4
162.0 42.2
163.0 3.9
164.0 12.5
165.0 1.2