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3051-09-0

紫脲酸铵(3051-09-0)质谱(MS)

产品名称:紫脲酸铵

CAS:3051-09-0

分子式:C8H8N6O6

分子量: 284.19

InChI:InChI=1S/C8H5N5O6.H3N/c14-3-1(4(15)11-7(18)10-3)9-2-5(16)12-8(19)13-6(2)17;/h(H2,10,11,14,15,18)(H3,12,13,16,17,19);1H3

InChIKey: LJYRLGOJYKPILZ-UHFFFAOYSA-N

Smiles:C1(=C(O)NC(=O)NC1=O)/N=C1\C(=O)NC(=O)NC\1=O.N

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    Mass

    MS-NW-4871          
    murexide
    C8H8N6O6 H2O        (Mass of molecular ion:    284)
    

       Source Temperature: 260 °C
       Sample Temperature: 260 °C
       Direct, 75 eV
    

          12.0       2.3
          14.0       1.4
          15.0       3.8
          16.0      22.7
          17.0      28.9
          18.0      16.6
          26.0       5.6
          27.0      17.7
          28.0      27.9
          29.0      20.2
          30.0       2.6
          32.0       1.1
          38.0      10.0
          39.0      13.4
          40.0       8.7
          41.0      14.9
          42.0      59.1
          43.0     100.0
          44.0      73.7
          45.0       2.9
          51.0       1.4
          52.0       4.4
          53.0      18.4
          54.0      34.8
          55.0      21.1
          56.0       2.4
          57.0       2.9
          59.0       1.5
          60.0       1.9
          64.0       6.4
          65.0       3.0
          66.0       6.5
          67.0      17.9
          68.0      10.8
          69.0      15.1
          70.0      30.8
          71.0       3.0
          77.0       1.2
          78.0       1.5
          79.0       1.4
          80.0       1.8
          81.0       2.5
          82.0      17.5
          83.0       3.5
          84.0       1.7
          85.0       6.3
          86.0       9.3
          87.0       2.7
          92.0       2.8
          93.0       3.0
          94.0       2.4
          96.0       2.0
          97.0       3.6
          98.0       5.4
          99.0       1.0
         100.0       2.6
         108.0       1.2
         109.0       3.0
         110.0      24.8
         111.0       3.4
         112.0       1.9
         113.0       7.9
         114.0       5.8
         124.0       1.6
         125.0       4.3
         126.0       2.7
         128.0       9.6
         129.0       8.8
         130.0       1.2
         134.0       2.4
         135.0       3.5
         136.0       1.3
         137.0       1.4
         138.0       2.9
         140.0       3.4
         141.0       6.5
         151.0       2.3
         152.0       1.3
         153.0      13.3
         154.0       5.3
         155.0       3.9
         163.0       1.4
         166.0       1.5
         167.0       1.2
         168.0       6.2
         169.0       2.2
         170.0       1.2
         171.0       1.4
         177.0       2.0
         178.0       2.6
         179.0       3.9
         180.0       1.8
         181.0       2.9
         193.0       1.1
         194.0       7.3
         195.0       2.6
         196.0       1.5
         205.0       1.2
         206.0       1.4
         211.0       2.4
         222.0       1.6
         223.0       1.6
         224.0       1.8
         239.0       2.6
         248.0       4.1
         249.0       1.4
         254.0       5.4
         267.0      13.2
         268.0       1.8
    

KBr disc

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nujol mull

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REDUCTION WITH L-CYSTEINE

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