醋酸可的松(50-04-4)質(zhì)譜(MS)
InChI:InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1
InChIKey: ITRJWOMZKQRYTA-RFZYENFJSA-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)COC(C)=O)CC3)CC2
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Mass
MS2004-02326WA
21-acetoxy-17alpha-hydroxy-4-pregnene-3,11,20-trione
C23H30O6 (Mass of molecular ion: 402)
Source Temperature: 250 °C
Sample Temperature: 170 °C
Direct, 70 eV
15.0 1.2
27.0 2.0
28.0 3.1
29.0 5.5
30.0 1.7
31.0 1.6
39.0 4.1
40.0 1.1
41.0 15.9
42.0 4.3
43.0 87.1
44.0 2.1
45.0 1.1
51.0 1.3
52.0 1.0
53.0 8.1
54.0 1.2
55.0 14.0
57.0 2.4
60.0 1.2
65.0 5.7
66.0 2.3
67.0 13.0
68.0 3.4
69.0 7.7
70.0 1.2
71.0 2.4
73.0 2.7
74.0 1.9
77.0 18.5
78.0 4.9
79.0 23.4
80.0 3.7
81.0 11.5
82.0 2.1
83.0 5.1
85.0 1.2
87.0 2.7
91.0 39.6
92.0 6.3
93.0 19.3
94.0 4.2
95.0 11.6
96.0 4.4
97.0 12.4
98.0 1.3
99.0 1.9
101.0 1.2
102.0 1.4
103.0 5.1
104.0 2.9
105.0 30.4
106.0 6.9
107.0 19.5
108.0 7.2
109.0 16.1
110.0 6.0
111.0 4.8
115.0 6.8
116.0 3.4
117.0 12.5
118.0 4.1
119.0 17.7
120.0 7.5
121.0 67.6
122.0 100.0
123.0 37.2
124.0 12.6
125.0 3.6
126.0 1.2
127.0 2.3
128.0 5.7
129.0 9.1
130.0 3.9
131.0 13.6
132.0 4.2
133.0 21.7
134.0 16.9
135.0 34.4
136.0 39.0
137.0 14.1
138.0 2.8
139.0 4.2
141.0 3.5
142.0 2.9
143.0 9.7
144.0 4.6
145.0 15.9
146.0 8.9
147.0 33.7
148.0 14.3
149.0 16.4
150.0 5.1
151.0 3.5
152.0 1.8
153.0 2.4
154.0 1.2
155.0 4.0
156.0 2.0
157.0 6.9
158.0 4.0
159.0 18.2
160.0 11.5
161.0 41.3
162.0 16.9
163.0 40.6
164.0 6.8
165.0 5.2
166.0 3.1
167.0 2.5
168.0 1.5
169.0 4.2
170.0 2.4
171.0 8.6
172.0 5.6
173.0 16.0
174.0 8.5
175.0 13.1
176.0 4.6
177.0 12.3
178.0 3.9
179.0 8.2
180.0 1.9
181.0 3.2
182.0 1.7
183.0 5.9
184.0 3.1
185.0 8.0
186.0 6.1
187.0 12.2
188.0 7.8
189.0 18.8
190.0 5.6
191.0 7.4
192.0 3.2
193.0 3.1
194.0 1.9
195.0 9.5
196.0 3.0
197.0 8.2
198.0 3.8
199.0 7.8
200.0 4.4
201.0 9.5
202.0 8.9
203.0 6.0
204.0 3.2
205.0 3.5
206.0 1.4
207.0 4.6
208.0 2.3
209.0 5.1
210.0 2.7
211.0 7.0
212.0 3.6
213.0 9.1
214.0 5.8
215.0 10.8
216.0 4.3
217.0 2.7
218.0 2.0
219.0 2.9
220.0 2.9
221.0 4.5
222.0 2.1
223.0 8.6
224.0 3.3
225.0 15.5
226.0 5.8
227.0 8.2
228.0 5.8
229.0 9.0
230.0 7.9
231.0 5.0
232.0 1.6
233.0 1.2
235.0 2.5
236.0 1.6
237.0 7.3
238.0 10.1
239.0 13.1
240.0 5.4
241.0 17.0
242.0 7.9
243.0 23.7
244.0 28.7
245.0 10.1
246.0 2.7
247.0 1.5
249.0 1.8
250.0 2.1
251.0 5.7
252.0 2.2
253.0 7.1
254.0 5.0
255.0 40.4
256.0 32.5
257.0 52.6
258.0 23.4
259.0 10.2
260.0 2.0
261.0 1.3
263.0 3.8
264.0 1.8
265.0 5.8
266.0 2.8
267.0 4.1
268.0 3.5
269.0 4.3
270.0 1.8
271.0 4.9
272.0 56.6
273.0 19.1
274.0 5.8
275.0 1.5
277.0 1.0
278.0 1.8
279.0 2.0
281.0 10.7
282.0 4.7
283.0 10.4
284.0 4.2
285.0 6.2
286.0 6.5
287.0 3.6
288.0 1.0
291.0 1.5
294.0 2.0
295.0 2.0
296.0 8.8
297.0 7.8
298.0 2.8
299.0 15.4
300.0 19.5
301.0 57.7
302.0 14.2
303.0 2.6
306.0 1.1
309.0 7.6
310.0 2.0
311.0 3.8
312.0 7.2
313.0 8.0
314.0 23.3
315.0 28.8
316.0 6.0
317.0 2.5
324.0 9.4
325.0 3.0
326.0 2.0
327.0 8.1
328.0 3.3
329.0 2.7
330.0 24.5
331.0 6.4
332.0 5.5
333.0 1.1
341.0 1.0
342.0 76.9
343.0 22.6
344.0 6.3
345.0 2.1
354.0 1.2
356.0 1.7
357.0 1.0
359.0 1.6
360.0 5.2
361.0 1.2
371.0 1.5
372.0 18.4
373.0 5.3
374.0 10.5
375.0 2.5
402.0 45.2
403.0 12.7
404.0 2.3