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74807-44-6

甘氨酰-D-苏氨酸,二水合物(74807-44-6)质谱(MS)

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|

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    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

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nujol mull

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4880 A,200 M,powder

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