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10512-86-4

N-甲酰基-L-丙氨酸(10512-86-4)质谱(MS)

分子式:C4H7NO3

分子量: 117.1

InChI:InChI=1S/C4H7NO3/c1-3(4(7)8)5-2-6/h2-3H,1H3,(H,5,6)(H,7,8)/t3-/m0/s1

InChIKey: SRBATDDRZARFDZ-VKHMYHEASA-N

Smiles:C(O)(=O)[C@H](C)NC=O

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    Mass

    MS-NW-5028          
    N-formyl-L-alanine
    C4H7NO3             (Mass of molecular ion:    117)
    

       Source Temperature: 160 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          15.0       7.0
          18.0      23.9
          26.0       2.9
          27.0       9.9
          28.0      28.7
          29.0       9.4
          30.0       1.5
          40.0       2.6
          41.0       4.3
          42.0      19.3
          43.0       5.6
          44.0      83.4
          45.0       7.4
          46.0       4.4
          55.0       2.5
          56.0       1.1
          58.0       1.6
          71.0       2.2
          72.0     100.0
          73.0       8.2
          74.0       3.2
         102.0       1.1
         117.0       8.8
    

in D2O

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KBr disc

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nujol mull

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