DL-肉堿鹽酸鹽(461-05-2)質(zhì)譜(MS)

產(chǎn)品名稱:DL-肉堿鹽酸鹽

CAS:461-05-2

分子式:C7H16NO3.Cl

分子量: 197.66

InChI:InChI=1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H

InChIKey: JXXCENBLGFBQJM-UHFFFAOYSA-N

Smiles:C(C(O)CC(=O)O)[N+](C)(C)C.[Cl-]

Mass

MS-NW-0417          
DL-carnitine hydrochloride
C7H15NO3 HCl        (Mass of molecular ion:    161)

   Source Temperature: 210 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      14.0       1.9
      15.0       8.4
      18.0       5.1
      26.0       3.6
      27.0      12.9
      28.0       4.0
      29.0       9.1
      30.0      15.4
      31.0       6.8
      35.0       3.4
      36.0      28.4
      37.0       1.4
      38.0       9.4
      39.0       4.2
      40.0       2.6
      41.0       4.4
      42.0      23.3
      43.0      31.9
      44.0      81.4
      45.0       5.4
      54.0       3.5
      55.0      15.8
      56.0       1.9
      57.0       6.5
      58.0     100.0
      59.0      40.8
      60.0       1.3
      71.0       1.5
      74.0      19.8
      84.0       8.8
     102.0       7.3

90 MHz in D2O

¹H NMR	89.56 MHz
C₇ H₁₅ N O₃	0.046 g : 0.5 ml D₂O
DL-carnitine hydrochloride

    Assign.     Shift(ppm)

      B             4.67
      C     *1      3.51
      D     *1      3.46
      E             3.229
      F     *2      2.64
      G     *2      2.68
     
     THE SOLVENT SIGNAL AT 4.75 PPM REMOVED.

     Hz     ppm     Int.

    427.31   4.772     33
    426.81   4.766     34
    426.50   4.763     34
    425.81   4.755     35
    425.50   4.752     35
    424.81   4.744     34
    418.19   4.670     28
    418.00   4.668     28
    315.50   3.523     81
    314.63   3.514     77
    309.31   3.454    109
    289.25   3.230   1000
    240.69   2.688    159
    234.81   2.622     97
    233.69   2.610     95

in D2O