辛基-beta-D-吡喃葡萄糖苷(29836-26-8)Raman光譜
InChI:InChI=1/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/s3
InChIKey: HEGSGKPQLMEBJL-JOAVLQHANA-N
Smiles:O([C@H]1[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)CCCCCCCC |&1:1,2,3,5,7,r|
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Mass
MS-NW-9508
octyl beta-D-glucopyranoside
C14H28O6 (Mass of molecular ion: 292)
Source Temperature: 190 °C
Sample Temperature: 130 °C
Direct, 75 eV
15.0 1.0
17.0 3.2
18.0 16.6
19.0 2.7
27.0 4.8
28.0 5.8
29.0 13.0
31.0 6.0
39.0 3.3
41.0 26.7
42.0 10.9
43.0 44.1
44.0 5.2
45.0 7.6
47.0 1.9
53.0 1.6
54.0 1.5
55.0 19.6
56.0 19.0
57.0 98.9
58.0 4.7
59.0 1.1
60.0 100.0
61.0 10.4
62.0 1.0
67.0 1.7
68.0 2.7
69.0 18.9
70.0 16.4
71.0 85.8
72.0 5.8
73.0 86.2
74.0 52.3
75.0 3.7
81.0 1.7
82.0 2.0
83.0 5.5
84.0 5.3
85.0 10.9
86.0 4.6
87.0 9.1
88.0 1.5
89.0 3.4
91.0 6.4
97.0 12.1
98.0 19.9
99.0 5.3
101.0 3.1
102.0 2.0
103.0 1.7
111.0 1.0
112.0 3.5
113.0 30.3
114.0 2.8
115.0 1.4
116.0 10.8
127.0 3.2
131.0 5.6
141.0 1.8
144.0 13.7
145.0 6.2
159.0 13.5
160.0 1.4
163.0 6.1
172.0 1.9
201.0 1.6
214.0 1.7
243.0 2.2
261.0 1.4
293.0 1.0