山梨酸(110-44-1)Raman光譜
InChI:InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+
InChIKey: WSWCOQWTEOXDQX-MQQKCMAXSA-N
Smiles:C(O)(=O)/C=C/C=C/C
-
Mass
MS-NW-9066
trans,trans-2,4-hexadienoic acid
C6H8O2 (Mass of molecular ion: 112)
Source Temperature: 260 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
26.0 2.1
27.0 9.1
28.0 3.9
29.0 3.3
31.0 2.5
32.0 1.1
32.5 1.2
37.0 2.2
38.0 5.3
39.0 34.1
40.0 9.3
41.0 44.7
42.0 5.2
43.0 14.1
44.0 1.3
45.0 5.7
47.0 1.1
50.0 2.8
51.0 4.8
52.0 1.7
53.0 5.6
55.0 13.5
56.0 3.1
57.0 1.9
58.0 2.7
61.0 1.3
62.0 2.1
63.0 3.5
64.0 1.0
65.0 14.4
66.0 20.1
67.0 64.1
68.0 5.5
69.0 15.4
70.0 2.4
71.0 1.4
79.0 2.8
83.0 4.4
84.0 5.0
93.0 1.5
94.0 1.9
95.0 7.0
97.0 100.0
98.0 5.6
111.0 8.3
112.0 77.7
113.0 5.5