5424-29-3

2-甲基-DL-丝氨酸水合物(5424-29-3)质谱(MS)

产品名称:2-甲基-DL-丝氨酸水合物

CAS:5424-29-3

分子式:C4H9NO3

分子量: 119.12

InChI:InChI=1S/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8)/t4-/m0/s1

InChIKey: CDUUKBXTEOFITR-BYPYZUCNSA-N

Smiles:C(O)(=O)[C@](C)(CO)N

¹HNMR

IR1

IR2

Mass

MS-NW-6928          
2-methyl-DL-serine
C4H9NO3             (Mass of molecular ion:    119)

   Source Temperature: 220 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      15.0       8.4
      18.0      10.3
      26.0       1.6
      27.0       5.8
      28.0      18.7
      29.0       8.9
      30.0       6.2
      31.0       7.6
      38.0       1.0
      39.0       2.7
      40.0       3.3
      41.0       8.1
      42.0     100.0
      43.0      13.6
      44.0       4.8
      45.0       4.0
      54.0       1.2
      55.0       1.7
      56.0      19.7
      57.0      10.3
      58.0       3.0
      59.0       1.2
      60.0       1.7
      71.0       2.0
      72.0       1.4
      74.0      39.6
      75.0       1.6
      88.0      45.5
      89.0       4.7

90 MHz in D2O

¹H NMR	89.56 MHz
C₄ H₉ N O₃	saturated in D₂O
2-methyl-DL-serine

    Assign.     Shift(ppm)

      A     *1      3.900
      B     *1      3.687
      C             1.431
     
     SOLVENT PEAK REMOVED

     Hz     ppm     Int.

    358.00   3.998     95
    345.94   3.863    251
    333.63   3.726    247
    321.56   3.591     95
    128.19   1.432   1000

KBr disc

nujol mull

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