香草酸(121-34-6)质谱(MS)
InChI:InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
InChIKey: WKOLLVMJNQIZCI-UHFFFAOYSA-N
Smiles:C(O)(=O)C1=CC=C(O)C(OC)=C1
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Mass
MS-NW-2148
vanillic acid
C8H8O4 (Mass of molecular ion: 168)
Source Temperature: 180 °C
Sample Temperature: 160 °C
Direct, 75 eV
15.0 4.1
17.0 1.0
18.0 5.5
26.0 1.8
27.0 3.9
28.0 6.0
29.0 3.2
31.0 1.6
37.0 1.6
38.0 2.6
39.0 5.9
40.0 1.1
41.0 6.5
43.0 1.8
44.0 2.0
45.0 2.3
49.0 1.0
50.0 5.5
51.0 11.1
52.0 10.9
53.0 5.2
54.0 1.0
55.0 3.7
61.0 1.1
62.0 2.4
63.0 4.6
64.0 1.6
65.0 4.3
66.0 1.1
67.0 2.0
68.0 1.4
69.0 2.8
71.0 2.2
77.0 2.9
79.0 6.1
80.0 3.1
81.0 3.6
91.0 1.0
92.0 1.2
93.0 1.4
95.0 1.4
96.0 1.0
97.0 27.6
98.0 1.6
107.0 2.6
108.0 4.2
109.0 1.9
121.0 1.4
123.0 5.5
124.0 1.7
125.0 22.8
126.0 1.5
151.0 14.3
152.0 1.6
153.0 56.0
154.0 5.5
168.0 100.0
169.0 8.9
170.0 1.3