大黃素(518-82-1)核磁圖(1HNMR)
InChI:InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
InChIKey: RHMXXJGYXNZAPX-UHFFFAOYSA-N
Smiles:C1(O)=C2C(C(=O)C3=C(C2=O)C(O)=CC(C)=C3)=CC(O)=C1
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Mass
MS-NW-7975
1,3,8-trihydroxy-6-methylanthraquinone
C15H10O5 (Mass of molecular ion: 270)
Source Temperature: 250 °C
Sample Temperature: 160 °C
Direct, 75 eV
18.0 2.7
27.0 1.2
28.0 1.4
39.0 4.0
50.0 2.2
51.0 6.4
52.0 2.2
53.0 2.3
55.0 1.1
62.0 2.1
63.0 4.3
64.0 1.9
65.0 1.8
66.0 1.0
67.0 1.0
69.0 6.8
69.5 2.4
70.0 2.5
74.0 2.0
75.0 2.5
76.0 1.9
77.0 5.2
78.0 2.1
79.0 1.7
84.0 3.6
86.0 1.3
87.0 1.8
88.0 1.0
89.0 2.8
90.0 1.1
91.0 1.2
92.0 1.6
98.0 2.5
99.0 1.2
101.0 1.1
102.0 1.3
103.0 1.0
105.0 1.9
106.0 1.8
107.0 1.7
108.0 1.5
113.0 1.2
114.0 1.0
115.0 4.7
116.0 1.1
121.0 3.8
126.0 1.1
127.0 2.9
128.0 4.5
129.0 2.5
135.0 2.6
136.0 1.0
137.0 2.3
139.0 7.8
140.0 1.9
141.0 1.2
144.0 1.0
145.0 1.3
157.0 2.3
158.0 1.1
167.0 2.2
168.0 5.2
169.0 1.6
171.0 1.9
172.0 1.4
185.0 5.0
186.0 1.7
195.0 1.2
196.0 3.4
197.0 3.8
199.0 1.9
200.0 2.6
213.0 9.9
214.0 6.6
215.0 1.0
224.0 1.4
225.0 2.7
226.0 1.0
227.0 1.4
241.0 9.2
242.0 13.8
243.0 2.2
253.0 3.0
254.0 2.3
255.0 2.4
269.0 2.3
270.0 100.0
271.0 16.8
272.0 2.5
284.0 1.1