驅(qū)蛔素(481-06-1)質(zhì)譜(MS)
InChI:InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1
InChIKey: XJHDMGJURBVLLE-BOCCBSBMSA-N
Smiles:O1C(=O)[C@@H](C)[C@]2([H])CC[C@]3(C)C([C@@]12[H])=C(C)C(=O)C=C3
-
Mass
MS2006-03094WA
santonin
C15H18O3 (Mass of molecular ion: 246)
Source Temperature: 250 °C
Sample Temperature: 50 °C
Direct, 70 eV
18.0 1.2
27.0 8.9
28.0 1.9
29.0 7.7
39.0 16.9
40.0 3.3
41.0 36.0
42.0 2.0
43.0 5.9
50.0 1.8
51.0 8.2
52.0 3.8
53.0 11.7
54.0 2.1
55.0 14.3
56.0 1.1
57.0 2.0
63.0 4.5
64.0 2.7
65.0 14.7
66.0 3.2
67.0 8.8
68.0 3.3
69.0 12.8
70.0 1.1
71.0 1.7
75.0 1.2
76.0 1.3
77.0 22.2
78.0 6.0
79.0 12.5
80.0 2.4
81.0 3.4
82.0 1.2
83.0 2.6
89.0 2.4
90.0 1.0
91.0 42.5
92.0 6.2
93.0 7.8
94.0 4.5
95.0 4.3
96.0 5.6
97.0 1.7
102.0 1.6
103.0 5.4
104.0 2.0
105.0 15.6
106.0 5.6
107.0 19.0
108.0 8.2
109.0 3.5
110.0 1.2
111.0 1.1
115.0 12.0
116.0 4.5
117.0 8.5
118.0 2.7
119.0 14.6
120.0 7.8
121.0 21.9
122.0 20.4
123.0 5.2
124.0 5.7
127.0 3.6
128.0 9.2
129.0 12.8
130.0 4.8
131.0 9.0
132.0 3.1
133.0 11.8
134.0 21.6
135.0 47.8
136.0 8.8
137.0 1.3
138.0 1.2
141.0 3.2
142.0 2.4
143.0 4.7
144.0 5.0
145.0 19.9
146.0 19.6
147.0 22.2
148.0 11.5
149.0 14.2
150.0 5.9
151.0 1.9
152.0 9.5
153.0 1.7
155.0 2.1
157.0 12.4
158.0 6.9
159.0 11.8
160.0 7.8
161.0 20.2
162.0 13.4
163.0 20.5
164.0 3.1
170.0 1.3
171.0 5.6
172.0 38.4
173.0 100.0
174.0 18.6
175.0 33.6
176.0 5.5
177.0 1.5
178.0 4.5
185.0 10.3
186.0 1.9
187.0 15.4
188.0 3.7
189.0 12.8
190.0 25.1
191.0 22.3
192.0 3.2
199.0 1.3
200.0 6.7
201.0 8.3
202.0 5.2
203.0 25.5
204.0 4.1
213.0 3.3
217.0 3.2
218.0 11.3
219.0 1.7
228.0 2.4
229.0 1.1
231.0 45.8
232.0 7.2
245.0 1.1
246.0 89.5
247.0 15.3
248.0 1.8