甘油三亞油酸酯(537-40-6)質(zhì)譜(MS)
InChI:InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,54H,4-15,22-24,31-53H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-
InChIKey: HBOQXIRUPVQLKX-BBWANDEASA-N
Smiles:C(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
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Mass
MS-IW-5614
1,2,3-propanetriyl tris(cis,cis-9,12-octadecadienoate)
C57H98O6 (Mass of molecular ion: 878)
Source Temperature: 190 °C
Sample Temperature: 240 °C
Direct, 75 eV
15.0 1.0
17.0 1.0
18.0 4.3
26.0 3.8
27.0 15.1
28.0 12.0
29.0 18.5
31.0 1.3
38.0 1.0
39.0 13.9
40.0 3.6
41.0 52.9
42.0 10.3
43.0 35.1
44.0 5.2
45.0 3.3
50.0 1.1
51.0 2.3
52.0 1.6
53.0 11.0
54.0 31.1
55.0 84.0
56.0 12.4
57.0 25.2
58.0 2.3
59.0 1.5
60.0 5.8
61.0 1.1
63.0 1.1
65.0 5.6
66.0 7.0
67.0 100.0
68.0 32.5
69.0 44.9
70.0 5.6
71.0 10.2
72.0 1.1
73.0 5.2
77.0 10.4
78.0 5.7
79.0 41.0
80.0 27.0
81.0 83.0
82.0 38.6
83.0 27.3
84.0 6.6
85.0 7.6
87.0 1.8
91.0 24.4
92.0 8.8
93.0 27.0
94.0 15.8
95.0 61.1
96.0 30.5
97.0 18.1
98.0 11.4
99.0 7.1
100.0 1.5
101.0 2.8
103.0 1.5
104.0 1.9
105.0 20.4
106.0 6.8
107.0 17.1
108.0 10.6
109.0 31.1
110.0 19.1
111.0 10.0
112.0 3.7
113.0 3.9
114.0 1.3
115.0 3.4
116.0 2.8
117.0 8.3
118.0 2.0
119.0 10.5
120.0 4.7
121.0 17.1
122.0 8.6
123.0 21.5
124.0 11.2
125.0 5.7
126.0 2.5
127.0 4.8
128.0 2.3
129.0 7.5
130.0 1.9
131.0 9.1
132.0 2.4
133.0 9.3
134.0 4.4
135.0 15.9
136.0 10.5
137.0 13.1
138.0 6.5
139.0 3.3
140.0 2.4
141.0 2.4
142.0 1.1
143.0 4.0
144.0 1.3
145.0 5.3
146.0 2.2
147.0 8.9
148.0 4.5
149.0 13.4
150.0 8.8
151.0 8.9
152.0 3.9
153.0 5.0
154.0 2.1
155.0 4.2
156.0 1.0
157.0 2.6
158.0 1.5
159.0 4.9
160.0 2.0
161.0 7.1
162.0 4.1
163.0 9.9
164.0 6.6
165.0 6.6
166.0 2.2
167.0 2.8
168.0 2.8
169.0 2.2
171.0 3.8
172.0 1.0
173.0 3.6
174.0 1.3
175.0 5.7
176.0 3.1
177.0 5.8
178.0 3.9
179.0 3.1
180.0 1.7
181.0 2.6
182.0 2.2
183.0 2.7
185.0 3.2
186.0 1.0
187.0 4.0
188.0 1.2
189.0 5.3
190.0 2.4
191.0 4.2
192.0 1.6
193.0 2.5
194.0 1.9
195.0 2.6
196.0 2.1
197.0 1.6
199.0 2.8
200.0 1.0
201.0 4.4
202.0 1.2
203.0 3.0
204.0 1.5
205.0 3.3
206.0 2.4
207.0 2.1
208.0 1.1
209.0 2.5
210.0 1.7
211.0 1.8
213.0 2.7
214.0 1.3
215.0 3.0
217.0 2.0
218.0 2.6
219.0 2.9
220.0 2.8
221.0 2.6
222.0 1.4
223.0 2.5
225.0 1.4
227.0 2.1
228.0 1.5
229.0 2.5
230.0 1.1
231.0 1.6
232.0 3.5
233.0 2.5
234.0 4.7
235.0 2.7
236.0 1.1
237.0 2.3
238.0 1.1
239.0 2.1
241.0 2.4
242.0 1.2
243.0 2.6
244.0 1.6
245.0 3.3
246.0 1.5
247.0 2.0
248.0 1.2
249.0 1.2
251.0 2.0
253.0 2.2
254.0 1.0
255.0 2.7
256.0 1.1
257.0 1.7
258.0 2.8
259.0 5.2
260.0 18.4
261.0 12.7
262.0 26.2
263.0 18.7
264.0 5.1
265.0 2.7
267.0 1.5
269.0 1.2
271.0 1.3
273.0 1.4
274.0 1.7
275.0 1.9
276.0 2.4
277.0 4.2
278.0 3.1
279.0 7.4
280.0 13.5
281.0 4.2
283.0 1.1
285.0 1.3
287.0 1.3
288.0 1.5
289.0 1.1
291.0 1.3
293.0 1.3
299.0 1.1
301.0 1.3
303.0 1.0
304.0 1.1
305.0 1.5
307.0 1.0
311.0 1.3
315.0 1.2
316.0 1.5
317.0 2.1
318.0 2.2
319.0 2.7
320.0 1.4
321.0 2.9
323.0 1.3
331.0 1.2
333.0 3.1
334.0 2.1
335.0 4.8
336.0 6.4
337.0 16.0
338.0 4.4
339.0 5.8
340.0 1.6
341.0 1.1
349.0 1.0
351.0 3.3
352.0 1.2
353.0 2.0
355.0 1.2
359.0 1.1
367.0 1.4
369.0 1.2
371.0 1.4
379.0 1.4
381.0 1.2
382.0 1.3
383.0 1.0
384.0 1.0
391.0 4.9
392.0 1.7
393.0 1.1
394.0 1.4
395.0 1.0
396.0 2.5
397.0 2.0
405.0 1.1
447.0 1.7
448.0 1.0
449.0 1.0
461.0 1.2
462.0 1.4
463.0 1.5
464.0 1.1
487.0 1.0
597.0 1.9
598.0 4.1
599.0 5.9
600.0 2.6
601.0 1.3
615.0 1.2
616.0 1.0
878.0 1.9