羥基茜草素(81-54-9)紅外圖譜(IR1)
InChI:InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
InChIKey: BBNQQADTFFCFGB-UHFFFAOYSA-N
Smiles:C1(O)=C2C(C(=O)C3=C(C2=O)C=CC=C3)=C(O)C=C1O
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Mass
MS-NW-6518
1,2,4-trihydroxyanthraquinone
C14H8O5 (Mass of molecular ion: 256)
Source Temperature: 180 °C
Sample Temperature: 150 °C
Direct, 75 eV
18.0 3.9
28.0 1.7
29.0 1.1
38.0 1.3
39.0 3.2
42.0 1.2
50.0 5.2
51.0 5.4
52.0 1.1
53.0 4.3
62.0 1.8
63.0 5.2
64.0 1.3
65.0 1.4
66.0 2.4
67.0 1.0
69.0 4.7
71.0 1.0
72.0 1.0
74.0 4.4
75.0 6.7
76.0 6.5
77.0 8.4
78.0 1.3
79.0 1.2
86.0 1.8
87.0 1.8
88.0 1.1
89.0 2.1
91.0 1.2
98.0 1.2
99.0 1.6
100.0 3.5
101.0 5.0
102.0 10.8
103.0 2.7
104.0 2.5
105.0 7.3
113.0 1.6
114.0 2.5
115.0 8.8
116.0 2.6
122.0 1.3
125.0 1.9
126.0 10.5
127.0 2.6
128.0 3.1
129.0 2.7
130.0 9.0
131.0 3.6
142.0 1.3
143.0 1.6
144.0 1.5
153.0 1.0
154.0 2.3
155.0 1.0
157.0 1.3
158.0 3.2
171.0 2.2
172.0 1.4
182.0 2.9
183.0 1.0
186.0 3.6
199.0 1.9
200.0 1.5
227.0 2.5
228.0 37.7
229.0 5.7
240.0 2.2
255.0 1.7
256.0 100.0
257.0 15.6
258.0 2.2