降冰片(497-37-0)質(zhì)譜(MS)
InChI:InChI=1/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2/t5-,6+,7+/s3
InChIKey: ZQTYQMYDIHMKQB-QXWMLGDLNA-N
Smiles:[C@]12([H])C[C@]([H])(CC1)C[C@H]2O |&1:0,3,8,r|
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Mass
MS-NW-8749
exo-norboneol
C7H12O (Mass of molecular ion: 112)
Source Temperature: 270 °C
Sample Temperature: 140 °C
Reservoir, 75 eV
15.0 1.4
18.0 1.8
26.0 1.3
27.0 16.5
28.0 3.8
29.0 14.8
31.0 5.1
38.0 1.8
39.0 25.5
40.0 7.5
41.0 36.1
42.0 8.5
43.0 14.7
44.0 6.4
45.0 7.6
50.0 1.6
51.0 3.7
52.0 1.6
53.0 16.2
54.0 6.6
55.0 27.6
56.0 13.4
57.0 34.7
58.0 9.1
63.0 1.1
65.0 6.8
66.0 68.5
67.0 95.4
68.0 78.1
69.0 10.9
70.0 16.9
71.0 8.3
77.0 6.7
78.0 2.4
79.0 100.0
80.0 7.9
81.0 16.4
82.0 2.2
83.0 24.5
84.0 7.3
91.0 2.7
93.0 7.2
94.0 93.5
95.0 10.9
97.0 7.1
111.0 1.4
112.0 1.3
400 MHz in CDCl3
in CDCl3