L-2-氨基丁酸(1492-24-6)質(zhì)譜(MS)

產(chǎn)品名稱:L-2-氨基丁酸

CAS:1492-24-6

分子式:C4H9NO2

分子量: 103.12

InChI:InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1

InChIKey: QWCKQJZIFLGMSD-VKHMYHEASA-N

Smiles:C(O)(=O)[C@@H](N)CC

Mass

MS-IW-4306          
L-2-aminobutyric acid
C4H9NO2             (Mass of molecular ion:    103)

   Source Temperature: 200 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      15.0       1.3
      17.0       1.8
      18.0      10.8
      26.0       3.2
      27.0       8.5
      28.0      41.3
      29.0       7.6
      30.0       8.3
      38.0       1.2
      39.0       5.4
      40.0       3.6
      41.0      37.9
      42.0       5.6
      43.0       6.9
      44.0       5.4
      45.0       1.9
      46.0       2.9
      51.0       1.2
      52.0       2.3
      53.0       1.6
      54.0       8.4
      55.0       2.9
      56.0      16.3
      57.0       5.9
      58.0     100.0
      59.0       6.0
      67.0       1.5
      70.0       1.2
      74.0      33.9
      75.0       1.1
      85.0       1.0

400 MHz in D2O

¹H NMR	399.65 MHz
C₄ H₉ N O₂	0.040 g : 0.5 ml D₂O
L-2-aminobutyric acid

    Assign.     Shift(ppm)

      A             3.715
      B     *1      1.91
      C     *1      1.89
      D             0.963
     
     SOLVENT PEAK REMOVED

     Hz     ppm     Int.

   1490.97   3.731    169
   1485.35   3.717    221
   1484.74   3.716    254
   1479.13   3.702    174
    776.00   1.942     42
    773.80   1.937     38
    770.39   1.928     51
    769.78   1.927     50
    768.31   1.923    129
    766.24   1.918    121
    762.82   1.909    120
    760.62   1.904    164
    760.01   1.902    166
    758.79   1.899    144
    755.25   1.890    115
    752.56   1.884    135
    747.68   1.871     41
    745.12   1.865     48
    400.27   1.002    490
    392.70   0.983   1000
    385.13   0.964    443

in D2O