1975-50-4

2-Methyl-3-nitrobenzoic acid(1975-50-4) MS

Product Name2-Methyl-3-nitrobenzoic acid

CAS 1975-50-4

Molecular FormulaC8H7NO4

Molecular Weight181.15

InChIInChI=1S/C8H7NO4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3,(H,10,11)

InChIKey YPQAFWHSMWWPLX-UHFFFAOYSA-N

SmilesC(O)(=O)C1=CC=CC([N+]([O-])=O)=C1C

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2-Methyl-3-nitrobenzoic acid(1975-50-4) MS
Mass

MS-NW-8095          
3-nitro-o-toluic acid
C8H7NO4             (Mass of molecular ion:    181)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      17.0       1.1
      18.0       5.7
      26.0       1.2
      27.0       6.7
      28.0       8.0
      29.0       2.9
      30.0       4.5
      37.0       2.6
      38.0       6.3
      39.0      34.5
      40.0       3.1
      41.0       7.3
      43.0      30.1
      44.0       2.7
      44.5       1.8
      45.0       5.4
      49.0       1.1
      50.0      10.7
      51.0      24.1
      52.0      11.2
      53.0      17.3
      54.0       1.2
      55.0       4.8
      61.0       3.8
      62.0      13.8
      63.0      39.6
      64.0      14.6
      65.0      38.1
      66.0       4.5
      67.0       5.3
      68.0       1.5
      74.0       4.6
      75.0       7.5
      76.0       5.5
      77.0      74.5
      78.0      17.6
      79.0      28.6
      80.0      15.3
      81.0       3.8
      85.0       1.4
      86.0       3.1
      87.0       3.2
      88.0       3.4
      89.0      36.8
      90.0      22.7
      91.0      66.8
      92.0      48.7
      93.0       6.6
      94.0       1.2
      95.0       1.4
     103.0       4.6
     104.0       2.2
     105.0      20.8
     106.0       7.9
     107.0       7.8
     108.0       9.7
     109.0       1.6
     116.0       4.9
     117.0      13.8
     118.0       7.6
     119.0       6.8
     120.0       4.0
     121.0       2.8
     122.0       1.5
     132.0       1.2
     133.0       1.9
     134.0       8.4
     135.0       4.6
     136.0       6.0
     146.0      14.3
     147.0       1.8
     151.0       1.1
     162.0       1.2
     164.0     100.0
     165.0       9.8
     166.0       1.0
     181.0      29.5
     182.0       3.2