亞油酸乙酯(544-35-4)質(zhì)譜(MS)
InChI:InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11-
InChIKey: FMMOOAYVCKXGMF-MURFETPASA-N
Smiles:C(OCC)(=O)CCCCCCC/C=C\C/C=C\CCCCC
-
Mass
MS-NW-0498
ethyl cis,cis-9,12-octadecadienoate
C20H36O2 (Mass of molecular ion: 308)
Source Temperature: 210 °C
Sample Temperature: 180 °C
Direct, 75 eV
15.0 1.7
16.0 1.1
17.0 3.1
18.0 9.8
26.0 5.2
27.0 25.0
28.0 11.4
29.0 50.8
30.0 1.6
31.0 3.0
32.0 1.3
38.0 1.4
39.0 21.5
40.0 4.1
41.0 80.4
42.0 11.0
43.0 28.2
44.0 12.4
45.0 6.3
50.0 1.6
51.0 3.8
52.0 3.0
53.0 15.5
54.0 38.3
55.0 72.9
56.0 11.1
57.0 13.1
58.0 1.1
59.0 2.3
60.0 7.7
61.0 4.2
63.0 1.6
65.0 8.7
66.0 7.8
67.0 100.0
68.0 40.7
69.0 42.3
70.0 7.0
71.0 5.9
73.0 7.2
74.0 1.6
77.0 15.4
78.0 5.7
79.0 38.4
80.0 24.1
81.0 85.0
82.0 42.2
83.0 25.5
84.0 8.9
85.0 4.8
86.0 1.1
87.0 2.7
88.0 13.5
89.0 2.8
90.0 1.0
91.0 16.9
92.0 4.7
93.0 20.3
94.0 15.5
95.0 59.0
96.0 37.7
97.0 17.9
98.0 8.2
99.0 3.9
101.0 14.8
102.0 1.9
103.0 1.4
104.0 1.6
105.0 5.4
106.0 3.0
107.0 13.6
108.0 12.1
109.0 32.4
110.0 24.6
111.0 9.4
112.0 2.9
113.0 2.0
114.0 1.1
115.0 5.0
116.0 1.2
117.0 2.3
118.0 1.3
119.0 4.3
120.0 3.3
121.0 12.7
122.0 9.6
123.0 18.0
124.0 14.5
125.0 6.0
126.0 1.6
127.0 2.5
128.0 2.4
129.0 4.7
130.0 1.2
131.0 3.1
132.0 1.4
133.0 4.6
134.0 2.7
135.0 12.1
136.0 11.3
137.0 11.3
138.0 9.3
139.0 4.2
140.0 1.5
141.0 2.6
142.0 2.1
143.0 5.1
144.0 1.2
145.0 2.3
146.0 1.5
147.0 3.6
148.0 1.7
149.0 9.5
150.0 13.4
151.0 9.0
152.0 5.9
153.0 2.9
154.0 2.1
155.0 3.9
156.0 1.1
157.0 4.5
158.0 1.1
159.0 2.2
160.0 1.0
161.0 2.5
162.0 1.3
163.0 6.5
164.0 11.0
165.0 5.6
166.0 4.0
167.0 2.3
168.0 2.3
169.0 2.2
171.0 2.9
172.0 1.6
173.0 2.5
175.0 1.7
177.0 4.2
178.0 7.3
179.0 4.0
180.0 3.3
181.0 2.3
182.0 1.9
183.0 1.5
185.0 2.1
187.0 1.8
189.0 1.2
191.0 2.3
192.0 2.9
193.0 2.0
194.0 1.3
195.0 2.1
196.0 1.5
199.0 2.2
200.0 1.1
201.0 1.1
205.0 2.2
206.0 2.2
207.0 1.6
208.0 1.2
209.0 2.0
210.0 1.6
213.0 1.6
218.0 1.4
219.0 1.7
220.0 7.9
221.0 2.6
222.0 3.1
223.0 2.4
224.0 1.4
227.0 1.1
233.0 1.2
234.0 3.2
235.0 1.4
236.0 1.0
237.0 1.8
238.0 1.1
245.0 1.3
251.0 1.7
261.0 1.4
262.0 13.8
263.0 19.6
264.0 8.8
265.0 4.7
266.0 1.1
279.0 3.5
280.0 2.0
306.0 2.3
307.0 1.5
308.0 25.1
309.0 6.4
310.0 2.4