4,6-亞乙基-alpha-D-葡萄糖(13224-99-2)質(zhì)譜(MS)
InChI:InChI=1/C8H14O6/c1-3-12-2-4-7(13-3)5(9)6(10)8(11)14-4/h3-11H,2H2,1H3/t3?,4-,5-,6-,7-,8+/s3
InChIKey: VZPBLPQAMPVTFO-UWEPXIHSNA-N
Smiles:[C@@H]12OC(OC[C@H]1O[C@H](O)[C@H](O)[C@H]2O)C |&1:0,5,7,9,11,r|
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Mass
MS-IW-2633
4,6-O-ethylidene-alpha-D-glucopyranose
C8H14O6 (Mass of molecular ion: 206)
Source Temperature: 180 °C
Sample Temperature: 140 °C
Direct, 75 eV
15.0 5.0
17.0 2.3
18.0 11.1
19.0 6.0
26.0 1.3
27.0 9.5
28.0 5.8
29.0 16.9
30.0 2.6
31.0 22.2
32.0 2.2
39.0 4.2
40.0 1.0
41.0 11.0
42.0 9.2
43.0 48.9
44.0 27.9
45.0 77.3
46.0 1.9
47.0 2.7
53.0 1.5
54.0 2.0
55.0 7.3
56.0 4.8
57.0 26.4
58.0 9.4
59.0 8.9
60.0 29.4
61.0 17.0
68.0 2.6
69.0 16.4
70.0 6.6
71.0 16.9
72.0 5.2
73.0 100.0
74.0 5.7
75.0 1.7
81.0 2.8
83.0 2.6
85.0 8.8
86.0 7.6
87.0 19.6
88.0 5.0
89.0 2.9
90.0 3.0
91.0 3.3
97.0 3.8
98.0 7.0
99.0 8.1
100.0 6.6
101.0 10.2
102.0 1.2
103.0 13.1
109.0 2.3
113.0 1.3
115.0 2.5
116.0 8.6
117.0 27.6
118.0 1.7
119.0 5.6
127.0 5.1
128.0 1.2
129.0 9.5
131.0 1.3
133.0 1.4
142.0 1.6
144.0 9.6
145.0 3.6
159.0 2.9
173.0 2.0
191.0 1.4
205.0 1.8
217.0 1.3