維A酸(302-79-4)紅外圖譜(IR1)
InChI:InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
InChIKey: SHGAZHPCJJPHSC-YCNIQYBTSA-N
Smiles:C(O)(=O)/C=C(/C=C/C=C(/C=C/C1C(C)(C)CCCC=1C)\C)\C
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Mass
MS2017-05431CM
all-trans-retinoic acid
C20H28O2 (Mass of molecular ion: 300)
Source Temperature: 245 °C
Sample Temperature: 20 °C
Direct, 70 eV
17.0 5.6
18.0 28.1
27.0 4.3
28.0 4.4
29.0 6.7
36.0 1.3
39.0 7.9
40.0 1.2
41.0 31.1
42.0 1.5
43.0 11.2
44.0 4.6
51.0 3.5
52.0 1.3
53.0 10.5
55.0 27.4
56.0 2.2
57.0 5.6
63.0 1.8
64.0 1.4
65.0 9.0
66.0 1.8
67.0 12.8
68.0 1.1
69.0 29.8
70.0 1.9
71.0 2.9
76.0 1.4
77.0 23.4
78.0 6.0
79.0 24.4
80.0 4.2
81.0 24.5
82.0 2.4
83.0 9.4
84.0 1.4
85.0 2.6
87.0 1.1
89.0 2.6
90.0 1.5
91.0 45.6
92.0 9.0
93.0 26.0
94.0 4.9
95.0 24.5
96.0 2.4
97.0 3.3
98.0 2.1
99.0 2.5
100.0 1.6
102.0 1.6
103.0 6.2
104.0 3.1
105.0 50.1
106.0 10.9
107.0 38.7
108.0 6.3
109.0 16.6
110.0 1.8
111.0 14.5
112.0 2.5
113.0 2.5
114.0 1.4
115.0 16.7
116.0 6.6
117.0 15.9
118.0 5.2
119.0 41.7
120.0 19.5
121.0 23.9
122.0 8.6
123.0 12.4
124.0 1.9
125.0 3.5
126.0 1.6
127.0 5.1
128.0 20.0
129.0 20.5
130.0 8.3
131.0 27.1
132.0 9.0
133.0 32.4
134.0 6.5
135.0 10.7
136.0 4.2
137.0 7.0
139.0 2.6
141.0 12.4
142.0 12.2
143.0 28.2
144.0 11.2
145.0 42.2
146.0 10.2
147.0 15.5
148.0 4.1
149.0 6.6
150.0 1.9
151.0 8.9
152.0 5.4
153.0 7.1
154.0 4.8
155.0 13.0
156.0 12.0
157.0 32.2
158.0 11.2
159.0 35.4
160.0 10.2
161.0 23.1
162.0 4.3
163.0 17.3
164.0 23.6
165.0 7.9
166.0 3.2
167.0 4.9
168.0 3.7
169.0 15.6
170.0 9.2
171.0 38.0
172.0 9.1
173.0 25.8
174.0 5.2
175.0 17.5
176.0 10.2
177.0 13.4
178.0 3.4
179.0 3.6
180.0 1.8
181.0 4.0
182.0 3.4
183.0 13.8
184.0 5.2
185.0 35.9
186.0 12.1
187.0 10.4
188.0 3.2
189.0 5.6
190.0 3.8
191.0 3.0
192.0 1.1
193.0 2.0
194.0 1.3
195.0 3.5
196.0 3.1
197.0 16.3
198.0 4.9
199.0 15.9
200.0 4.0
201.0 15.2
202.0 3.8
203.0 5.7
204.0 3.2
205.0 1.3
207.0 1.1
209.0 2.2
210.0 2.1
211.0 12.6
212.0 3.8
213.0 7.1
214.0 2.6
215.0 12.8
216.0 3.9
217.0 6.9
218.0 5.3
219.0 1.2
223.0 1.3
224.0 1.2
225.0 8.2
226.0 2.4
227.0 1.5
229.0 10.4
230.0 8.2
231.0 9.1
232.0 1.9
239.0 7.1
240.0 2.7
241.0 4.4
242.0 1.1
243.0 5.0
244.0 3.7
245.0 1.3
254.0 1.0
255.0 24.8
256.0 7.7
257.0 6.4
258.0 1.4
267.0 6.0
268.0 1.4
271.0 1.0
282.0 1.1
285.0 31.2
286.0 6.7
287.0 1.4
300.0 100.0
301.0 22.0
302.0 3.8