邻硝基苯乙酸(3740-52-1)质谱(MS)
InChI:InChI=1S/C8H7NO4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)
InChIKey: WMUZDBZPDLHUMW-UHFFFAOYSA-N
Smiles:C1(CC(O)=O)=CC=CC=C1[N+]([O-])=O
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Mass
MS-NW-4766
(o-nitrophenyl)acetic acid
C8H7NO4 (Mass of molecular ion: 181)
Source Temperature: 160 °C
Sample Temperature: 110 °C
Direct, 75 eV
18.0 4.1
26.0 1.1
27.0 6.2
28.0 5.8
29.0 5.0
30.0 9.1
37.0 2.5
38.0 6.0
39.0 27.7
40.0 3.4
41.0 3.2
43.0 1.4
44.0 4.6
45.0 9.3
49.0 1.0
50.0 9.6
51.0 23.8
52.0 10.9
53.0 10.8
55.0 1.7
61.0 2.6
62.0 7.9
63.0 24.5
64.0 15.6
65.0 61.7
66.0 6.5
74.0 2.1
75.0 2.5
76.0 5.0
77.0 73.3
78.0 45.2
79.0 40.4
80.0 6.9
81.0 1.8
86.0 1.4
87.0 1.5
89.0 30.3
90.0 16.7
91.0 16.2
92.0 87.5
93.0 9.4
104.0 2.0
105.0 12.6
106.0 1.9
107.0 18.8
108.0 4.8
119.0 3.6
120.0 79.8
121.0 7.0
133.0 3.7
134.0 1.8
135.0 100.0
136.0 15.1
137.0 3.7
146.0 1.7
164.0 1.5