1069-31-4

DL-鳥氨酸鹽酸鹽(1069-31-4)質(zhì)譜(MS)

產(chǎn)品名稱:DL-鳥氨酸鹽酸鹽

CAS:1069-31-4

分子式:C5H13ClN2O2

分子量: 168.62

InChI:InChI=1S/C5H12N2O2.ClH/c6-3-1-2-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);1H

InChIKey: GGTYBZJRPHEQDG-UHFFFAOYSA-N

Smiles:C(N)(CCCN)C(=O)O.Cl

Mass

MS-NW-8154          
DL-ornithine hydrochloride
C5H12N2O2 HCl       (Mass of molecular ion:    132)

   Source Temperature: 200 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      15.0       2.0
      17.0       4.5
      18.0      25.5
      26.0       1.2
      27.0       5.8
      28.0      30.9
      29.0       8.4
      30.0      57.6
      31.0       2.9
      35.0       6.0
      36.0      66.9
      37.0       2.2
      38.0      21.9
      39.0       5.2
      40.0       2.1
      41.0      16.3
      42.0      14.6
      43.0      67.6
      44.0      10.9
      45.0       4.8
      52.0       1.1
      53.0       1.6
      54.0       2.9
      55.0       2.4
      56.0      57.9
      57.0      17.8
      58.0      34.1
      59.0       2.8
      67.0       1.1
      68.0       8.1
      69.0     100.0
      70.0      48.3
      71.0       3.7
      74.0       2.6
      75.0       8.4
      85.0       5.8
      86.0       6.8
      87.0       7.2
      96.0       1.4
      97.0       2.7
     103.0       3.2
     114.0       3.2
     115.0       2.7

400 MHz in D2O

¹H NMR	399.65 MHz
C₅ H₁₂ N₂ O₂	0.035 g : 0.5 ml D₂O
DL-ornithine hydrochloride

    Assign.     Shift(ppm)

      A             3.802
      B             3.070
      C             1.95
      D     *1      1.85
      E     *1      1.77
     
     SOLVENT PEAK SUPPRESSED

     Hz     ppm     Int.

   1525.27   3.817    281
   1519.41   3.802    561
   1513.31   3.787    276
   1234.50   3.089    526
   1226.93   3.071   1000
   1219.48   3.052    542
    793.46   1.986    121
    791.14   1.980    127
    786.87   1.969    220
    784.18   1.963    321
    781.49   1.956    249
    775.88   1.942    401
    770.14   1.928    232
    765.63   1.916     30
    764.40   1.913     41
    764.04   1.912     43
    761.84   1.907     51
    757.20   1.895     64
    750.24   1.878     95
    747.31   1.870     33
    744.87   1.864     86
    742.68   1.859    112
    737.79   1.847    157
    735.72   1.841    110
    730.47   1.828    147
    728.76   1.824    142
    725.71   1.816     38
    721.44   1.806    145
    714.72   1.789    132
    711.91   1.782     78
    708.86   1.774    132
    706.18   1.767     92
    705.69   1.766     94
    704.59   1.764    106
    701.54   1.756    114
    698.24   1.748     91
    694.58   1.738     82
    692.87   1.734     73
    690.92   1.729     50
    686.89   1.719     38
    685.18   1.715     54

in D2O