水杨甙(138-52-3)Raman光谱
InChI:InChI=1/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/s3
InChIKey: NGFMICBWJRZIBI-SYDLEIBONA-N
Smiles:[C@@H]1([C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O)OC1C=CC=CC=1CO |&1:0,1,3,4,6,r|
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Mass
MS-NW-1793
salicin
C13H18O7 (Mass of molecular ion: 286)
Source Temperature: 230 °C
Sample Temperature: 180 °C
Direct, 75 eV
15.0 3.3
17.0 1.0
18.0 4.9
19.0 5.3
26.0 1.3
27.0 7.0
28.0 3.2
29.0 10.4
30.0 1.6
31.0 14.6
32.0 1.1
38.0 1.5
39.0 9.8
40.0 1.6
41.0 9.2
42.0 4.5
43.0 16.9
44.0 3.5
45.0 13.9
47.0 1.7
50.0 3.1
51.0 8.0
52.0 4.9
53.0 4.2
55.0 7.9
56.0 4.1
57.0 20.7
58.0 1.2
59.0 1.9
60.0 17.0
61.0 14.3
62.0 1.0
63.0 2.3
65.0 4.1
66.0 1.2
67.0 1.4
69.0 12.1
70.0 2.7
71.0 6.3
72.0 1.8
73.0 25.1
74.0 3.4
75.0 1.4
76.0 1.8
77.0 20.2
78.0 41.3
79.0 6.9
81.0 2.7
83.0 1.3
84.0 1.2
85.0 18.2
86.0 1.6
87.0 11.1
88.0 1.1
89.0 3.2
90.0 1.4
91.0 9.7
92.0 1.0
93.0 1.1
94.0 1.1
95.0 3.6
97.0 6.4
98.0 1.9
99.0 2.7
101.0 2.5
103.0 2.0
105.0 2.5
106.0 100.0
107.0 36.1
108.0 12.4
109.0 2.4
113.0 1.1
115.0 1.6
119.0 2.4
121.0 4.2
122.0 4.1
123.0 2.3
124.0 87.6
125.0 7.0
127.0 4.3
135.0 3.7
145.0 3.5
162.0 2.3