金絲桃苷(482-36-0)質(zhì)譜(MS)
分子式:C21H20O12
分子量: 464.38
InChI:InChI=1/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/s3
InChIKey: OVSQVDMCBVZWGM-WBVCLXJUNA-N
Smiles:O([C@H]1[C@@H]([C@@H](O)[C@@H](O)[C@@H](CO)O1)O)C1C(C2=C(C=C(O)C=C2OC=1C1C=CC(O)=C(O)C=1)O)=O |&1:1,2,3,5,7,r|
-
Mass
MS-KW-0680
hyperin
C21H20O12 H2O (Mass of molecular ion: 464)
Source Temperature: 200 °C
Sample Temperature: 220 °C
Direct, 75 eV
15.0 1.8
17.0 6.3
18.0 31.1
19.0 2.3
26.0 2.8
27.0 5.8
28.0 19.9
29.0 9.6
30.0 2.2
31.0 4.9
38.0 1.6
39.0 7.3
40.0 1.6
41.0 5.7
42.0 5.5
43.0 10.4
44.0 7.1
45.0 3.7
47.0 1.5
50.0 3.5
51.0 4.8
52.0 3.1
53.0 6.2
54.0 1.7
55.0 9.8
56.0 4.6
57.0 10.7
58.0 1.8
59.0 1.0
60.0 16.5
61.0 2.9
62.0 1.7
63.0 4.6
64.0 1.2
65.0 2.6
66.0 2.6
67.0 3.8
68.0 1.9
69.0 17.6
70.0 3.6
71.0 4.4
72.0 3.0
73.0 15.9
74.0 3.3
75.0 3.1
76.0 2.7
77.0 3.5
78.0 1.9
79.0 2.2
80.0 1.6
81.0 5.4
82.0 1.0
83.0 1.0
85.0 3.5
86.0 1.6
87.0 3.4
89.0 1.8
91.0 6.2
92.0 1.9
93.0 1.7
94.0 1.2
95.0 2.2
96.0 3.6
97.0 2.9
98.0 2.7
99.0 1.3
100.0 1.4
101.0 1.4
102.0 1.0
103.0 1.8
105.0 2.9
107.0 1.9
108.0 4.2
109.0 6.9
110.0 3.7
111.0 1.7
113.0 1.4
113.5 1.0
114.0 1.6
115.0 2.5
119.0 1.9
120.0 1.2
121.0 4.7
122.0 2.0
123.0 3.2
124.0 2.3
126.0 2.0
127.0 1.5
128.0 17.9
128.5 2.7
131.0 1.3
133.0 1.2
136.0 5.1
137.0 18.4
138.0 1.8
142.0 9.8
142.5 1.9
143.0 1.0
144.0 2.6
145.0 1.5
147.0 1.0
150.0 3.2
151.0 3.2
152.0 1.6
153.0 13.8
154.0 1.7
155.0 1.1
161.0 1.1
163.0 1.2
165.0 1.1
171.0 1.7
173.0 1.0
189.0 1.2
193.0 2.0
199.0 1.1
200.0 3.0
203.0 1.2
204.0 1.5
217.0 2.9
218.0 1.2
227.0 1.1
228.0 6.8
229.0 7.2
230.0 1.1
245.0 7.0
246.0 1.3
256.0 1.2
257.0 3.9
273.0 9.7
274.0 9.4
275.0 1.6
285.0 2.6
286.0 2.3
301.0 19.4
302.0 100.0
303.0 17.0
304.0 2.9