5-硝基異酞酸(618-88-2)質(zhì)譜(MS)
InChI:InChI=1S/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)
InChIKey: NBDAHKQJXVLAID-UHFFFAOYSA-N
Smiles:C1(C(O)=O)=CC([N+]([O-])=O)=CC(C(O)=O)=C1
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Mass
MS-NW-9220
5-nitroisophthalic acid
C8H5NO6 (Mass of molecular ion: 211)
Source Temperature: 220 °C
Sample Temperature: 150 °C
Direct, 75 eV
18.0 2.1
27.0 2.4
28.0 3.0
30.0 14.1
37.0 1.4
38.0 1.8
39.0 6.9
44.0 1.3
45.0 4.5
50.0 6.6
51.0 4.1
53.0 8.8
55.0 2.2
62.0 2.0
63.0 5.7
64.0 2.7
65.0 24.5
66.0 2.1
69.0 3.6
73.0 2.1
74.0 14.3
75.0 19.0
76.0 1.9
79.0 1.2
81.0 25.4
82.0 1.5
91.0 3.5
92.0 1.9
93.0 1.1
97.0 1.5
101.0 1.6
102.0 4.3
107.0 3.2
109.0 7.5
119.0 14.4
120.0 9.7
121.0 1.1
125.0 1.4
135.0 1.0
136.0 1.4
137.0 3.5
147.0 4.3
148.0 7.5
153.0 4.1
163.0 3.1
165.0 59.9
166.0 6.0
167.0 1.1
181.0 13.5
182.0 1.2
194.0 5.7
195.0 1.5
211.0 100.0
212.0 9.9
213.0 1.6