雌二醇(50-28-2)核磁圖(1HNMR)
InChI:InChI=1/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/s3
InChIKey: VOXZDWNPVJITMN-RBWZDWSONA-N
Smiles:C[C@@]12[C@H](CC[C@@]1([H])[C@]1([H])CCC3C=C(O)C=CC=3[C@@]1([H])CC2)O |&1:1,2,5,7,18,r|
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Mass
MS-IW-4286
estradiol-17beta
C18H24O2 (Mass of molecular ion: 272)
Source Temperature: 190 °C
Sample Temperature: 150 °C
Direct, 75 eV
17.0 1.0
18.0 5.8
27.0 1.0
29.0 1.2
39.0 1.5
41.0 4.1
43.0 2.3
53.0 1.9
55.0 4.5
57.0 1.3
65.0 1.6
67.0 2.9
69.0 1.5
77.0 4.9
78.0 1.0
79.0 5.7
81.0 3.3
83.0 1.1
91.0 6.8
92.0 1.4
93.0 4.8
94.0 1.7
95.0 3.8
97.0 1.4
103.0 1.9
105.0 5.1
106.0 1.3
107.0 8.4
108.0 3.1
109.0 1.5
110.0 1.1
115.0 5.4
116.0 2.5
117.0 3.2
119.0 2.0
120.0 4.6
121.0 5.3
122.0 1.0
127.0 4.8
128.0 3.4
129.0 2.7
131.0 7.7
132.0 3.4
133.0 21.3
134.0 5.9
135.0 1.4
141.0 3.5
142.0 1.0
143.0 1.2
144.0 7.2
145.0 15.9
146.0 33.4
147.0 11.4
148.0 1.7
151.0 1.4
152.0 1.4
153.0 1.4
155.0 1.0
157.0 12.5
158.0 13.3
159.0 22.8
160.0 34.6
161.0 5.0
165.0 2.0
167.0 1.0
169.0 1.2
170.0 3.2
171.0 6.3
172.0 27.6
173.0 7.4
174.0 1.4
175.0 3.6
179.0 1.0
181.0 1.5
182.0 1.0
183.0 3.4
184.0 2.4
185.0 8.7
186.0 15.5
187.0 3.2
188.0 6.7
189.0 1.3
195.0 1.4
196.0 1.2
197.0 6.2
198.0 3.2
199.0 5.1
200.0 3.2
201.0 2.0
202.0 1.0
209.0 1.1
211.0 6.4
212.0 2.8
213.0 34.4
214.0 6.2
215.0 4.6
225.0 5.6
226.0 7.0
227.0 2.0
228.0 4.5
229.0 1.2
235.0 1.5
237.0 1.4
239.0 3.3
244.0 4.7
250.0 1.3
252.0 2.9
253.0 4.2
254.0 27.7
255.0 5.6
256.0 1.0
270.0 1.6
271.0 2.0
272.0 100.0
273.0 19.9
274.0 2.3
286.0 1.6