2-氨基異丁酸(62-57-7)質(zhì)譜(MS)
InChI:InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)
InChIKey: FUOOLUPWFVMBKG-UHFFFAOYSA-N
Smiles:C(O)(=O)[C@](C)(C)N
-
Mass
MS-NW-5033
2-methylalanine
C4H9NO2 (Mass of molecular ion: 103)
Source Temperature: 190 °C
Sample Temperature: 140 °C
Direct, 75 eV
15.0 5.6
18.0 9.5
27.0 2.0
28.0 4.5
30.0 5.8
39.0 4.5
40.0 2.2
41.0 15.9
42.0 35.7
43.0 5.1
44.0 1.5
45.0 2.6
56.0 1.1
57.0 2.1
58.0 100.0
59.0 4.5
88.0 5.1
-
| 1H NMR |
89.56 MHz |
| C4 H9 N O2
|
0.042 g : 0.5 ml D2O
|
| 2-methylalanine
|
 |
Assign. Shift(ppm)
B 1.498
THE SOLVENT SIGNAL REMOVED.
|
Hz ppm Int.
134.19 1.499 1000