2,4-二硝基苯乙酸(643-43-6)質(zhì)譜(MS)
InChI:InChI=1S/C8H6N2O6/c11-8(12)3-5-1-2-6(9(13)14)4-7(5)10(15)16/h1-2,4H,3H2,(H,11,12)
InChIKey: KCNISYPADDTFDO-UHFFFAOYSA-N
Smiles:C1(CC(O)=O)=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O
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Mass
MS-IW-1169
(2,4-dinitrophenyl)acetic acid
C8H6N2O6 (Mass of molecular ion: 226)
Source Temperature: 130 °C
Sample Temperature: 100 °C
Direct, 75 eV
18.0 4.9
28.0 2.5
30.0 12.1
37.0 3.1
38.0 5.4
39.0 8.0
44.0 3.7
50.0 2.7
51.0 3.7
52.0 4.6
53.0 3.0
61.0 3.3
62.0 8.3
63.0 40.5
64.0 7.0
65.0 1.0
66.0 1.2
75.0 1.3
76.0 1.0
78.0 4.7
79.0 1.9
87.0 1.2
88.0 2.1
89.0 3.4
90.0 53.0
91.0 4.7
106.0 16.9
107.0 1.8
118.0 39.6
119.0 3.4
134.0 2.9
148.0 1.1
164.0 100.0
165.0 10.0
166.0 1.0