L-高絲氨酸(672-15-1)紅外圖譜(IR1)

產(chǎn)品名稱(chēng):L-高絲氨酸

CAS:672-15-1

分子式:C4H9NO3

分子量: 119.12

InChI:InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1

InChIKey: UKAUYVFTDYCKQA-VKHMYHEASA-N

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

Mass

MS2002-00942WA      
L-2-amino-4-hydroxybutyric acid
C4H9NO3             (Mass of molecular ion:    119)

   Source Temperature: 250 °C
   Sample Temperature:  25 °C
   Direct, 70 eV

      15.0       3.4
      17.0       1.0
      18.0      14.5
      19.0       1.4
      26.0       1.7
      27.0       7.1
      28.0      33.6
      29.0       6.7
      30.0      12.8
      31.0      14.0
      39.0       1.2
      40.0       1.2
      41.0       3.2
      42.0      13.6
      43.0      10.8
      44.0      68.5
      45.0       3.2
      46.0       4.9
      54.0       2.2
      55.0       4.1
      56.0      27.4
      57.0       5.6
      70.0       1.2
      71.0       1.1
      72.0       1.4
      73.0       3.4
      74.0     100.0
      75.0       4.7
      89.0       2.1
     101.0       1.8
     120.0       1.5

400 MHz in D2O

¹H NMR	399.65 MHz
C₄ H₉ N O₃	0.041 g : 0.5 ml D₂O
L-2-amino-4-hydroxybutyric acid

    Assign.     Shift(ppm)

      A             3.860
      B             3.78
      C     *1      2.160
      D     *1      2.028
     
     SOLVENT PEAK REMOVED

     Hz     ppm     Int.

   1549.19   3.877    519
   1544.31   3.865    583
   1541.63   3.858    574
   1536.74   3.846    536
   1530.52   3.830    102
   1527.95   3.824     56
   1526.37   3.820     75
   1524.29   3.815    165
   1519.04   3.801    530
   1516.24   3.794    513
   1512.94   3.786   1000
   1510.62   3.780    658
   1509.28   3.777    585
   1506.84   3.771    510
   1503.66   3.763    475
   1499.27   3.752    122
   1497.92   3.749    117
   1492.43   3.735     80
   1490.60   3.730     36
   1490.11   3.729     35
    879.88   2.202    104
    875.00   2.190    152
    873.78   2.187    167
    868.29   2.173    182
    867.07   2.170    163
    865.11   2.165    193
    861.82   2.157    161
    859.99   2.152    266
    859.13   2.150    276
    853.39   2.136    280
    847.17   2.120    162
    840.33   2.103     32
    839.97   2.102     32
    834.11   2.088     31
    826.90   2.070    174
    820.92   2.055    326
    814.82   2.039    253
    813.48   2.036    328
    807.50   2.021    223
    806.27   2.018    221
    799.93   2.002    150
    798.58   1.999    180
    792.60   1.984     94

in D2O