621-44-3

3-Nitro-L-tyrosine(621-44-3) IR2

Product Name3-Nitro-L-tyrosine

CAS 621-44-3

Molecular FormulaC9H10N2O5

Molecular Weight226.19

InChIInChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1

InChIKey FBTSQILOGYXGMD-LURJTMIESA-N

SmilesC(O)(=O)[C@H](CC1=CC=C(O)C([N+]([O-])=O)=C1)N

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3-Nitro-L-tyrosine(621-44-3) IR2
Mass

MS-NW-7355          
3-nitro-L-tyrosine
C9H10N2O5           (Mass of molecular ion:    226)

   Source Temperature: 180 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      18.0       2.7
      27.0       2.5
      28.0      24.1
      29.0       2.4
      30.0       3.1
      38.0       2.0
      39.0       6.3
      40.0       1.0
      41.0       2.0
      42.0       2.8
      43.0       2.7
      44.0       4.5
      45.0       1.8
      46.0      11.3
      50.0       4.2
      51.0      17.0
      52.0       6.4
      52.5       1.0
      53.0       5.5
      54.0       1.8
      55.0       1.9
      56.0       1.6
      57.0       3.0
      62.0       2.6
      63.0       5.4
      64.0       3.3
      65.0       5.3
      66.0       2.2
      67.0       2.3
      68.0       1.1
      74.0      87.7
      75.0       7.4
      76.0       2.5
      77.0      29.5
      78.0      11.3
      79.0       5.1
      80.0       3.4
      81.0       1.0
      89.0       2.5
      90.0       3.6
      90.5       1.0
      91.0       5.1
      92.0       2.4
      93.0       1.3
      94.0       2.4
     104.0       3.8
     105.0      31.9
     106.0      26.4
     107.0       6.7
     108.0       1.3
     117.0       4.6
     118.0       3.2
     119.0       3.3
     120.0       2.1
     121.0       1.0
     122.0       2.7
     123.0       1.0
     132.0       1.0
     133.0       2.7
     134.0       3.1
     135.0     100.0
     136.0      12.0
     137.0       2.4
     147.0       1.1
     148.0       1.4
     152.0      22.0
     153.0      14.0
     154.0       1.3
     164.0       1.3
     165.0       1.3
     180.0       1.4
     181.0      11.4
     182.0       1.3
     208.0       6.4
     226.0       5.0