Cianidanol(154-23-4) MS
Molecular FormulaC15H14O6
Molecular Weight290.27
InChIInChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
InChIKey PFTAWBLQPZVEMU-DZGCQCFKSA-N
Smiles[C@H]1(C2=CC=C(O)C(O)=C2)OC2=CC(O)=CC(O)=C2C[C@@H]1O
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Mass
MS-NW-2084
(+)-catechin
C15H14O6 (H2O) (Mass of molecular ion: 290)
Source Temperature: 200 °C
Sample Temperature: 200 °C
Direct, 75 eV
17.0 4.7
18.0 28.7
26.0 2.0
27.0 4.4
28.0 7.3
29.0 2.4
32.0 1.2
34.0 2.4
38.0 1.7
39.0 7.6
40.0 5.6
41.0 4.7
42.0 3.6
43.0 3.9
44.0 2.3
50.0 2.7
51.0 9.0
52.0 3.0
53.0 3.3
54.0 2.7
55.0 7.9
56.0 1.2
57.0 2.7
60.0 1.2
63.0 2.9
64.0 1.2
65.0 4.3
66.0 2.4
67.0 2.7
68.0 2.6
69.0 9.5
71.0 1.1
73.0 1.0
75.0 1.0
76.0 1.5
77.0 9.7
78.0 3.5
79.0 1.2
80.0 1.0
81.0 2.6
82.0 2.6
83.0 1.6
84.0 1.4
85.0 1.4
91.0 1.6
93.0 2.3
94.0 2.2
95.0 2.6
96.0 1.4
97.0 1.8
98.0 1.1
105.0 2.3
106.0 1.3
107.0 2.1
109.0 1.0
110.0 5.9
111.0 2.3
118.0 1.4
119.0 1.1
121.0 1.1
122.0 3.0
123.0 51.8
124.0 20.6
125.0 1.7
126.0 5.2
133.0 1.3
134.0 1.2
135.0 1.6
136.0 2.8
137.0 1.5
138.0 5.0
139.0 100.0
140.0 8.7
141.0 1.1
150.0 3.6
151.0 1.6
152.0 47.1
153.0 4.4
163.0 2.9
166.0 1.0
167.0 4.4
168.0 1.0
271.0 1.1
272.0 1.4
290.0 26.5
291.0 4.1