74807-44-6

甘氨酰-D-苏氨酸,二水合物(74807-44-6)红外图谱(IR1)

产品名称:甘氨酰-D-苏氨酸,二水合物

CAS:74807-44-6

分子式:C6H16N2O6

分子量: 212.2

InChI:InChI=1/C6H12N2O4.2H2O/c1-3(9)5(6(11)12)8-4(10)2-7;;/h3,5,9H,2,7H2,1H3,(H,8,10)(H,11,12);2*1H2/t3-,5+;;/s3

InChIKey: BFDXCPYYJSKNOU-PMSOROBYNA-N

Smiles:[C@H](C(=O)O)([C@@H](O)C)NC(=O)CN.O.O |&1:0,4,r|

IR1

IR2

Raman

Mass

MS-NW-1875          
glycyl-D-threonine
C6H12N2O4           (Mass of molecular ion:    176)

   Source Temperature: 240 °C
   Sample Temperature: 240 °C
   Direct, 75 eV

      15.0       3.3
      16.0       2.9
      17.0       4.9
      18.0      23.5
      19.0       1.4
      26.0       1.3
      27.0       5.0
      28.0      17.6
      29.0       9.0
      30.0      25.7
      31.0       2.0
      39.0       2.0
      40.0       1.0
      41.0       2.7
      42.0       9.7
      43.0       7.7
      44.0      38.2
      45.0      25.3
      46.0       1.7
      52.0       1.5
      53.0       1.0
      54.0       5.1
      55.0       5.2
      56.0       8.2
      57.0      41.7
      58.0       5.0
      59.0       3.5
      67.0       1.2
      68.0       2.1
      69.0       2.5
      70.0       1.1
      71.0       3.2
      72.0       1.5
      73.0       1.8
      74.0       1.2
      75.0       1.8
      83.0       1.5
      84.0       1.0
      85.0       7.1
      86.0       6.4
     113.0       1.6
     114.0     100.0
     115.0       7.2
     128.0       6.9
     140.0       5.3

KBr disc