Caffeic acid(331-39-5) MS
Molecular FormulaC9H8O4
Molecular Weight180.16
InChIInChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)
InChIKey QAIPRVGONGVQAS-UHFFFAOYSA-N
SmilesC(O)(=O)C=CC1=CC=C(O)C(O)=C1
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Mass
MS-NW-0350
3,4-dihydroxycinnamic acid
C9H8O4 (Mass of molecular ion: 180)
Source Temperature: 180 °C
Sample Temperature: 170 °C
Direct, 75 eV
18.0 3.3
26.0 1.4
27.0 5.5
28.0 3.6
29.0 2.3
37.0 1.4
38.0 3.2
39.0 9.9
40.0 1.3
41.0 1.6
43.0 2.0
44.0 22.1
44.5 1.8
45.0 1.9
49.0 1.1
50.0 6.1
51.0 12.5
52.0 5.4
53.0 5.3
53.5 1.5
54.0 1.3
55.0 5.8
61.0 1.5
62.0 6.6
63.0 11.7
64.0 3.4
65.0 2.4
66.0 1.2
67.0 4.5
67.5 2.2
68.0 2.5
69.0 2.4
74.0 1.7
75.0 1.3
76.0 1.7
77.0 12.2
78.0 7.4
79.0 6.8
80.0 1.5
81.0 2.4
81.5 1.9
82.0 1.1
87.0 1.4
88.0 4.0
89.0 26.5
90.0 9.2
91.0 1.7
92.0 1.2
93.0 1.3
95.0 1.3
105.0 3.5
106.0 5.2
107.0 8.0
108.0 1.5
110.0 5.6
117.0 9.5
118.0 2.5
119.0 1.8
120.0 1.0
123.0 6.0
126.0 1.3
133.0 3.1
134.0 33.9
135.0 21.0
136.0 63.1
137.0 5.9
138.0 1.7
139.0 1.0
144.0 1.0
145.0 5.6
151.0 1.2
152.0 2.1
161.5 1.1
162.0 4.1
162.5 5.8
163.0 24.0
164.0 2.9
170.0 1.5
179.0 14.6
180.0 100.0
181.0 10.1
182.0 1.4
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