扁蓄苷(572-30-5)紅外圖譜(IR2)
分子式:C20H18O11
分子量: 434.35
InChI:InChI=1/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20?/s3
InChIKey: PZZRDJXEMZMZFD-TTYPJOBMNA-N
Smiles:C1(OC2=C(C(O)=CC(O)=C2)C(=O)C=1OC1OC[C@H](O)[C@H](O)[C@H]1O)C1C=CC(O)=C(O)C=1 |&1:17,19,21,r|
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Mass
MS-KW-0676
avicularin
C20H18O11 H2O (Mass of molecular ion: 434)
Source Temperature: 210 °C
Sample Temperature: 230 °C
Direct, 75 eV
15.0 1.4
17.0 5.6
18.0 26.7
19.0 1.7
26.0 2.5
27.0 5.0
28.0 20.4
29.0 7.6
30.0 2.1
31.0 3.7
38.0 1.4
39.0 5.7
40.0 1.7
41.0 4.3
42.0 4.0
43.0 7.9
44.0 5.6
45.0 2.6
50.0 3.1
51.0 4.4
52.0 2.5
53.0 5.2
54.0 1.8
55.0 8.6
56.0 2.2
57.0 11.3
58.0 2.3
60.0 3.1
61.0 2.5
62.0 1.4
63.0 4.1
64.0 1.0
65.0 2.4
66.0 2.4
67.0 3.0
68.0 2.2
69.0 15.6
70.0 1.3
71.0 3.2
72.0 1.2
73.0 8.3
74.0 1.8
75.0 3.0
76.0 2.4
77.0 2.7
78.0 1.6
79.0 2.0
81.0 4.8
84.0 1.4
85.0 2.8
86.0 2.3
87.0 1.8
91.0 3.7
92.0 1.5
93.0 1.7
94.0 1.1
95.0 2.0
96.0 2.8
97.0 2.8
98.0 1.3
100.0 1.4
101.0 1.0
103.0 1.8
104.0 1.0
105.0 2.3
107.0 1.3
108.0 4.1
109.0 6.7
110.0 3.2
111.0 1.7
113.5 1.0
114.0 1.3
115.0 3.7
119.0 1.3
121.0 3.3
122.0 1.7
123.0 3.0
124.0 2.3
126.0 1.4
128.0 17.4
128.5 2.7
133.0 2.5
136.0 5.2
137.0 18.3
138.0 1.7
142.0 9.4
142.5 1.7
143.0 1.1
150.0 3.2
151.0 2.9
152.0 1.3
153.0 13.6
154.0 1.4
161.0 1.5
171.0 1.6
174.0 1.3
189.0 1.1
193.0 1.9
199.0 1.0
200.0 3.0
203.0 1.2
204.0 1.3
217.0 2.8
218.0 1.2
227.0 1.3
228.0 6.8
229.0 6.8
245.0 6.9
246.0 1.3
256.0 1.2
257.0 3.7
273.0 9.6
274.0 9.2
275.0 1.4
285.0 2.3
301.0 19.5
302.0 100.0
303.0 17.4
304.0 2.7