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4998-57-6

DL-组氨酸(4998-57-6)质谱(MS)

产品名称:DL-组氨酸

CAS:4998-57-6

分子式:C6H9N3O2

分子量: 155.15

InChI:InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1

InChIKey: HNDVDQJCIGZPNO-YFKPBYRVSA-N

Smiles:C(O)(=O)[C@H](CC1N=CNC=1)N

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    Mass

    MS-NW-0617          
    DL-histidine
    C6H9N3O2            (Mass of molecular ion:    155)
    

       Source Temperature: 240 °C
       Sample Temperature: 220 °C
       Direct, 75 eV
    

          15.0       1.0
          17.0       1.0
          18.0       4.1
          26.0       1.8
          27.0       3.5
          28.0      26.7
          29.0       3.3
          30.0       3.8
          38.0       1.0
          39.0       2.9
          40.0       2.2
          41.0       3.8
          42.0       4.0
          43.0       2.1
          44.0       2.9
          46.0       2.0
          52.0       3.1
          53.0       2.1
          54.0      16.1
          55.0       8.7
          56.0       6.5
          57.0       1.1
          66.0       1.8
          68.0       1.7
          69.0       2.2
          74.0       2.8
          80.0       1.0
          81.0      44.8
          82.0     100.0
          83.0      13.5
          93.0       4.6
          94.0       1.9
         109.0       6.1
         110.0      19.4
         111.0       2.8
         155.0       1.0
    

KBr disc

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nujol mull

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