3-溴肉桂酸(14473-91-7)質(zhì)譜(MS)
InChI:InChI=1S/C9H7BrO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+
InChIKey: YEMUSDCFQUBPAL-SNAWJCMRSA-N
Smiles:C(O)(=O)/C=C/C1=CC=CC(Br)=C1
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Mass
MS-NW-9714
trans-3-bromocinnamic acid
C9H7BrO2 (Mass of molecular ion: 226)
Source Temperature: 150 °C
Sample Temperature: 110 °C
Direct, 75 eV
18.0 3.7
27.0 1.3
37.0 1.0
38.0 2.3
39.0 4.2
43.0 1.0
45.0 3.3
45.5 1.3
49.0 1.9
50.0 18.1
50.5 1.1
51.0 32.3
51.5 1.5
52.0 6.2
53.0 1.5
55.0 1.0
59.0 4.8
59.5 1.5
61.0 1.9
62.0 4.0
63.0 8.0
64.0 1.4
65.0 8.5
69.0 2.2
71.0 1.8
73.0 5.9
73.5 9.3
74.0 14.3
75.0 28.2
76.0 22.4
77.0 12.5
78.0 2.1
79.0 4.5
87.0 1.3
89.0 4.1
90.0 4.4
90.5 1.4
91.0 33.0
91.5 1.4
92.0 2.8
98.0 2.5
99.0 1.6
100.0 1.5
101.0 20.6
102.0 81.4
103.0 26.9
104.0 2.2
104.5 1.0
118.0 8.5
119.0 9.8
129.0 1.8
130.0 8.1
131.0 1.2
146.0 1.0
147.0 62.4
148.0 7.3
155.0 2.1
156.0 1.4
157.0 3.1
158.0 1.2
159.0 1.1
169.0 2.1
171.0 2.1
172.0 1.1
180.0 10.1
181.0 16.0
182.0 11.4
183.0 16.4
184.0 2.6
185.0 2.2
187.0 1.1
198.0 2.2
199.0 1.0
200.0 2.2
208.0 5.4
209.0 17.7
210.0 7.1
211.0 17.0
212.0 1.7
225.0 62.7
226.0 100.0
227.0 71.1
228.0 98.0
229.0 9.9