硫代二乙酸(123-93-3)質(zhì)譜(MS)
InChI:InChI=1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChIKey: UVZICZIVKIMRNE-UHFFFAOYSA-N
Smiles:S(CC(O)=O)CC(O)=O
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Mass
MS-NW-1763
2,2'-thiodiacetic acid
C4H6O4S (Mass of molecular ion: 150)
Source Temperature: 210 °C
Sample Temperature: 190 °C
Direct, 75 eV
13.0 2.2
14.0 10.6
15.0 4.3
17.0 2.3
18.0 8.7
27.0 8.6
28.0 5.8
29.0 9.3
31.0 28.6
32.0 1.3
33.0 1.0
34.0 1.1
35.0 3.3
41.0 2.2
42.0 35.5
43.0 10.3
44.0 5.0
45.0 70.9
46.0 37.4
47.0 100.0
48.0 3.2
49.0 4.0
55.0 1.1
57.0 1.3
58.0 2.6
59.0 8.8
60.0 59.4
61.0 28.3
62.0 2.4
63.0 5.1
74.0 4.0
75.0 1.1
77.0 49.5
78.0 1.5
79.0 2.2
87.0 1.9
90.0 1.6
91.0 2.6
104.0 27.1
105.0 12.0
106.0 10.0
114.0 2.1
132.0 32.8
133.0 1.9
134.0 1.9
150.0 18.5
151.0 1.0
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| 1H NMR |
89.56 MHz |
| C4 H6 O4 S
|
0.041 g : 0.5 ml D2O
|
| 2,2'-thiodiacetic acid
|
 |
Assign. Shift(ppm)
B 3.470
THE SOLVENT SIGNAL REMOVED.
|
Hz ppm Int.
310.81 3.471 1000