17916-88-0

N-乙酰-D-缬氨酸(17916-88-0)质谱(MS)

产品名称:N-乙酰-D-缬氨酸

CAS:17916-88-0

分子式:C7H13NO3

分子量: 159.18

InChI:InChI=1S/C7H13NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11)/t6-/m1/s1

InChIKey: IHYJTAOFMMMOPX-ZCFIWIBFSA-N

Smiles:C(O)(=O)[C@@H](C(C)C)NC(C)=O

Mass

MS-NW-2466          
N-acetyl-D-valine
C7H13NO3            (Mass of molecular ion:    159)

   Source Temperature: 230 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      14.0       1.0
      15.0      10.4
      17.0       2.4
      18.0      11.8
      26.0       1.2
      27.0      12.3
      28.0      21.8
      29.0       6.2
      30.0       7.7
      38.0       1.2
      39.0       9.7
      40.0       1.9
      41.0      18.1
      42.0       8.2
      43.0     100.0
      44.0       3.6
      45.0       2.4
      46.0       2.4
      53.0       1.2
      54.0       2.1
      55.0      19.5
      56.0      13.0
      57.0      33.1
      58.0       7.1
      59.0       1.5
      60.0      30.0
      61.0       1.0
      70.0       5.8
      71.0      17.6
      72.0      92.5
      73.0       4.8
      74.0      37.2
      75.0      10.6
      76.0       1.1
      82.0       6.5
      83.0       1.2
      84.0       1.7
      88.0       1.7
      97.0       1.2
      98.0       1.9
      99.0      86.5
     100.0       6.5
     101.0       1.3
     102.0       2.0
     113.0       1.2
     114.0      41.3
     115.0       5.2
     116.0       1.9
     117.0      15.2
     126.0       1.5
     141.0       1.6
     159.0       1.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₁₃ N O₃	0.039 g : 0.5 ml DMSO-d₆
N-acetyl-D-valine

    Assign.     Shift(ppm)

      A            12.5
      B             8.00
      C             4.133
      D             2.030
      E             1.881
      F             0.878

     Hz     ppm     Int.

   3200.83   8.010     72
   3192.41   7.989     74
   1658.94   4.151     91
   1653.08   4.137     99
   1650.51   4.130     97
   1644.65   4.116     93
    821.32   2.056     37
    814.72   2.039     63
    808.50   2.024     58
    801.72   2.007     40
    751.90   1.882   1000
    355.16   0.889    555
    354.06   0.886    566
    348.38   0.872    537
    347.28   0.869    559

in DMSO-d6