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99-16-1

尿囊酸(99-16-1)质谱(MS)

产品名称:尿囊酸

CAS:99-16-1

分子式:C4H8N4O4

分子量: 176.13

InChI:InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)

InChIKey: NUCLJNSWZCHRKL-UHFFFAOYSA-N

Smiles:C(O)(=O)C(NC(N)=O)NC(N)=O

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    Mass

    MS-IW-0990          
    diureidoacetic acid
    C4H8N4O4 (H2O)      (Mass of molecular ion:    176)
    

       Source Temperature: 150 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          16.0       8.7
          17.0      28.3
          18.0      25.1
          28.0       4.9
          29.0       1.4
          42.0       3.6
          43.0      17.3
          44.0     100.0
          45.0       1.5
          60.0      65.8
          61.0       2.5
          66.0       1.0
          93.0       2.9
    

KBr disc

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nujol mull

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