3-溴丙酮酸(1113-59-3)質(zhì)譜(MS)
InChI:InChI=1S/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)
InChIKey: PRRZDZJYSJLDBS-UHFFFAOYSA-N
Smiles:C(O)(=O)C(=O)CBr
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Mass
MS-NW-9645
3-bromopyruvic acid
C3H3BrO3 (H2O) (Mass of molecular ion: 166)
Source Temperature: 260 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
13.0 1.1
14.0 4.8
15.0 10.2
16.0 1.6
17.0 2.7
18.0 12.6
26.0 1.3
27.0 1.1
28.0 12.9
29.0 5.5
31.0 1.7
36.0 1.2
40.0 1.1
41.0 4.1
42.0 60.9
43.0 46.8
44.0 85.1
45.0 21.9
46.0 1.0
53.0 1.0
55.0 1.4
71.0 5.0
77.0 1.5
79.0 14.9
80.0 40.0
81.0 15.0
82.0 39.2
84.0 1.0
87.0 1.7
88.0 1.2
92.0 1.6
93.0 28.2
94.0 5.4
95.0 27.0
96.0 3.9
120.0 3.0
121.0 100.0
122.0 5.9
123.0 96.5
124.0 3.1
166.0 1.3
169.0 1.2
207.0 1.2
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| 1H NMR |
399.65 MHz |
| C3 H3 Br O3
|
0.037 g : 0.5 ml D2O
|
| 3-bromopyruvic acid
|
 |
Assign. Shift(ppm)
B 3.667
THE SOLVENT SIGNAL REMOVED.
|
Hz ppm Int.
1465.82 3.668 1000