DL-2-Aminobutyric acid(2835-81-6) MS

Product NameDL-2-Aminobutyric acid

CAS 2835-81-6

Molecular FormulaC4H9NO2

Molecular Weight103.12

InChIInChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)

InChIKey QWCKQJZIFLGMSD-UHFFFAOYSA-N

SmilesC(O)(=O)C(N)CC

Request For Quotation

Mass

MS-NW-8146          
DL-2-amino-n-butyric acid
C4H9NO2             (Mass of molecular ion:    103)

   Source Temperature: 180 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      15.0       1.0
      18.0       6.4
      27.0       3.5
      28.0      21.6
      29.0       5.1
      30.0      11.6
      39.0       2.4
      41.0      24.4
      42.0       4.6
      43.0       5.9
      44.0       3.1
      45.0       1.8
      46.0       4.3
      56.0       4.7
      57.0       1.8
      58.0     100.0
      59.0       3.9
      74.0      19.1

90 MHz in D2O

¹H NMR	89.56 MHz
C₄ H₉ N O₂	0.043 g : 0.5 ml D₂O
DL-2-amino-N-butyric acid

    Assign.     Shift(ppm)

      A             3.711
      B             1.894
      C             0.988
     
     SOLVENT PEAK REMOVED

     Hz     ppm     Int.

    338.55   3.781    194
    332.74   3.716    398
    326.84   3.650    227
    185.25   2.069     66
    177.48   1.982    239
    170.81   1.908    340
    163.81   1.830    298
    156.71   1.750    118
     95.28   1.064    578
     87.93   0.982   1000
     80.41   0.898    386

in D2O