7164-43-4

5-Aminoorotic acid(7164-43-4) IR2

Product Name5-Aminoorotic acid

CAS 7164-43-4

Molecular FormulaC5H5N3O4

Molecular Weight171.11

InChIInChI=1S/C5H5N3O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h6H2,(H,10,11)(H2,7,8,9,12)

InChIKey HWCXJKLFOSBVLH-UHFFFAOYSA-N

SmilesC1(=O)NC(=O)C(N)=C(C(O)=O)N1

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5-Aminoorotic acid(7164-43-4) IR2
Mass

MS-NW-7061          
5-amino-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid
C5H5N3O4            (Mass of molecular ion:    171)

   Source Temperature: 170 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      16.0       1.5
      17.0       3.0
      18.0       8.1
      27.0       8.8
      28.0      84.0
      29.0      11.4
      38.0       1.1
      39.0       1.4
      40.0       2.1
      41.0       2.2
      42.0       1.6
      43.0       3.9
      44.0      17.9
      45.0      24.1
      46.0       1.6
      53.0       9.9
      54.0      31.5
      55.0      14.1
      56.0      19.5
      57.0       2.1
      67.0       1.4
      68.0       2.2
      69.0       1.0
      70.0       4.5
      71.0       3.2
      72.0      13.0
      73.0       8.4
      82.0      18.7
      83.0       2.2
      84.0       2.7
      97.0       1.7
      99.0       2.5
     100.0      15.1
     110.0       1.6
     125.0       8.5
     126.0       2.9
     127.0      24.2
     128.0       1.9
     153.0      22.3
     154.0       2.3
     171.0     100.0
     172.0       7.0
     173.0       1.3