苯基-BETA-葡萄糖吡喃糖苷(1464-44-4)紅外圖譜(IR3)
InChI:InChI=1/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12-/s3
InChIKey: NEZJDVYDSZTRFS-RGPAMQPRNA-N
Smiles:[C@@H]1(OC2C=CC=CC=2)O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO |&1:0,9,10,12,14,r|
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Mass
MS-NW-2020
phenyl beta-D-glucopyranoside
C12H16O6 (Mass of molecular ion: 256)
Source Temperature: 200 °C
Sample Temperature: 200 °C
Direct, 75 eV
15.0 2.9
17.0 1.5
18.0 8.4
19.0 2.5
26.0 1.4
27.0 4.4
28.0 3.7
29.0 8.0
30.0 2.5
31.0 7.0
38.0 1.7
39.0 7.6
40.0 3.7
41.0 2.9
42.0 2.9
43.0 8.6
44.0 2.5
45.0 5.3
47.0 1.4
50.0 1.6
51.0 3.2
53.0 1.1
55.0 6.0
56.0 2.1
57.0 8.8
60.0 8.7
61.0 5.4
63.0 1.2
65.0 5.9
66.0 8.2
68.0 1.1
69.0 4.7
70.0 1.6
71.0 3.4
72.0 1.3
73.0 9.3
74.0 1.4
77.0 4.8
85.0 7.3
87.0 4.3
89.0 1.2
91.0 2.0
94.0 100.0
95.0 8.4
96.0 1.3
97.0 2.9
98.0 1.5
99.0 1.0
107.0 1.2
127.0 1.7
145.0 1.5
162.0 1.3