可的松(53-06-5)核磁圖(1HNMR)
InChI:InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
InChIKey: MFYSYFVPBJMHGN-ZPOLXVRWSA-N
Smiles:C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1=O)(C)[C@@](O)(C(=O)CO)CC3)CC2
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Mass
MS-IW-4878
cortisone
C21H28O5 (Mass of molecular ion: 360)
Source Temperature: 170 °C
Sample Temperature: 210 °C
Direct, 75 eV
17.0 1.4
18.0 6.7
27.0 3.8
28.0 3.9
29.0 9.3
30.0 6.3
31.0 6.2
32.0 2.0
39.0 6.3
40.0 1.6
41.0 16.9
42.0 2.5
43.0 12.2
51.0 2.1
52.0 1.3
53.0 8.2
54.0 1.2
55.0 17.6
56.0 1.2
57.0 2.1
60.0 2.9
65.0 5.7
66.0 2.4
67.0 10.5
68.0 3.4
69.0 6.6
71.0 2.0
77.0 13.9
78.0 3.8
79.0 16.5
80.0 3.4
81.0 9.9
82.0 2.5
83.0 3.3
85.0 1.2
86.0 1.0
91.0 24.1
92.0 4.3
93.0 11.4
94.0 3.5
95.0 11.1
96.0 4.2
97.0 7.3
98.0 1.0
99.0 2.3
103.0 3.2
104.0 1.8
105.0 16.8
106.0 4.5
107.0 17.0
108.0 5.9
109.0 9.0
110.0 3.8
111.0 2.8
115.0 5.1
116.0 2.3
117.0 6.7
118.0 2.3
119.0 10.7
120.0 5.7
121.0 37.3
122.0 100.0
123.0 26.9
124.0 5.6
125.0 2.8
127.0 1.5
128.0 3.7
129.0 4.7
130.0 2.1
131.0 7.7
132.0 2.8
133.0 12.8
134.0 10.0
135.0 17.8
136.0 15.7
137.0 6.0
138.0 1.7
139.0 2.4
141.0 2.1
142.0 1.7
143.0 5.0
144.0 2.9
145.0 9.2
146.0 5.0
147.0 19.4
148.0 6.0
149.0 7.2
150.0 1.9
151.0 2.7
152.0 1.0
153.0 1.3
155.0 1.8
156.0 1.1
157.0 3.6
158.0 2.6
159.0 9.5
160.0 6.5
161.0 20.1
162.0 8.6
163.0 14.9
164.0 3.0
165.0 6.0
166.0 1.5
167.0 1.5
169.0 2.0
170.0 1.3
171.0 4.7
172.0 2.2
173.0 8.1
174.0 3.5
175.0 6.4
176.0 2.5
177.0 3.7
178.0 3.0
179.0 7.5
180.0 1.4
181.0 1.5
183.0 2.6
184.0 1.4
185.0 3.6
186.0 2.8
187.0 6.2
188.0 4.5
189.0 9.1
190.0 2.8
191.0 2.8
192.0 1.6
193.0 5.4
194.0 1.2
195.0 5.4
196.0 1.3
197.0 3.2
198.0 1.8
199.0 3.4
200.0 1.7
201.0 3.7
202.0 2.7
203.0 1.8
204.0 1.4
205.0 1.8
206.0 1.3
207.0 2.6
208.0 2.0
209.0 3.7
210.0 1.2
211.0 3.0
212.0 1.5
213.0 3.1
214.0 2.0
215.0 5.4
216.0 2.1
217.0 1.1
221.0 1.3
222.0 1.1
223.0 2.6
224.0 1.4
225.0 5.5
226.0 2.0
227.0 3.4
228.0 3.7
229.0 3.8
230.0 5.5
231.0 2.2
237.0 1.5
238.0 1.5
239.0 3.9
240.0 2.0
241.0 5.4
242.0 2.8
243.0 7.9
244.0 4.7
245.0 2.6
249.0 1.1
251.0 1.2
253.0 1.5
254.0 1.2
255.0 4.3
256.0 8.0
257.0 23.6
258.0 24.4
259.0 6.8
260.0 1.3
265.0 2.2
266.0 1.1
267.0 5.2
268.0 2.0
269.0 1.4
271.0 2.6
272.0 4.2
273.0 2.6
281.0 1.3
282.0 1.9
283.0 4.3
284.0 2.5
285.0 11.3
286.0 3.9
287.0 1.6
295.0 1.6
297.0 1.7
299.0 1.7
300.0 25.8
301.0 18.3
302.0 5.2
303.0 1.0
310.0 1.1
311.0 6.1
312.0 5.7
313.0 21.0
314.0 6.1
315.0 3.3
326.0 1.0
327.0 1.6
328.0 11.5
329.0 2.9
330.0 29.8
331.0 7.2
332.0 1.8
342.0 8.9
343.0 2.7
344.0 2.3
360.0 12.1
361.0 3.0