二十二酸(112-85-6)核磁圖(13CNMR)
InChI:InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)
InChIKey: UKMSUNONTOPOIO-UHFFFAOYSA-N
Smiles:C(O)(=O)CCCCCCCCCCCCCCCCCCCCC
-
Mass
MS-NW-9589
docosanoic acid
C22H44O2 (Mass of molecular ion: 340)
Source Temperature: 220 °C
Sample Temperature: 130 °C
Direct, 75 eV
17.0 2.5
18.0 14.4
27.0 1.8
28.0 2.2
29.0 6.4
39.0 1.7
41.0 19.0
42.0 4.2
43.0 39.4
44.0 1.6
45.0 1.4
53.0 1.0
54.0 2.4
55.0 29.3
56.0 10.8
57.0 51.4
58.0 2.6
59.0 1.2
60.0 28.2
61.0 14.4
67.0 5.4
68.0 4.7
69.0 24.8
70.0 10.7
71.0 35.5
72.0 2.1
73.0 41.4
74.0 5.8
79.0 1.2
81.0 6.2
82.0 8.5
83.0 26.4
84.0 10.7
85.0 24.7
86.0 1.8
87.0 17.7
88.0 2.8
93.0 1.4
94.0 1.0
95.0 4.7
96.0 7.9
97.0 29.0
98.0 14.0
99.0 10.6
100.0 1.1
101.0 6.4
102.0 3.9
107.0 1.2
109.0 2.7
110.0 4.3
111.0 17.5
112.0 5.5
113.0 6.9
115.0 11.2
116.0 10.2
121.0 2.0
123.0 2.0
124.0 3.4
125.0 10.4
126.0 3.3
127.0 4.8
129.0 38.4
130.0 6.7
135.0 1.8
137.0 1.2
138.0 2.6
139.0 5.8
140.0 2.5
141.0 3.6
143.0 10.0
144.0 3.2
149.0 1.5
152.0 1.8
153.0 3.7
154.0 2.2
155.0 2.5
157.0 7.6
158.0 3.6
166.0 1.4
167.0 2.5
168.0 1.6
169.0 1.9
171.0 12.2
172.0 5.7
180.0 1.1
181.0 1.9
182.0 1.3
183.0 1.4
185.0 22.7
186.0 5.0
195.0 1.3
196.0 1.3
197.0 1.1
199.0 9.9
200.0 2.6
209.0 1.0
210.0 1.3
213.0 8.1
214.0 2.4
224.0 1.1
227.0 10.1
228.0 3.2
241.0 18.5
242.0 3.8
252.0 1.1
255.0 8.4
256.0 2.2
266.0 1.0
269.0 6.7
270.0 1.6
278.0 1.9
280.0 1.1
283.0 6.1
284.0 7.2
285.0 1.4
294.0 2.0
297.0 14.2
298.0 3.2
311.0 2.7
312.0 19.7
313.0 4.4
340.0 100.0
341.0 25.1
342.0 3.4
368.0 1.0