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606-18-8

2-氨基-3-硝基苯甲酸(606-18-8)质谱(MS)

分子式:C7H6N2O4

分子量: 182.13

InChI:InChI=1S/C7H6N2O4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,8H2,(H,10,11)

InChIKey: JJPIVRWTAGQTPQ-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC=CC([N+]([O-])=O)=C1N

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    Mass

    MS-IW-8799          
    2-amino-3-nitrobenzoic acid
    C7H6N2O4            (Mass of molecular ion:    182)
    

       Source Temperature: 180 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          18.0       1.9
          28.0       2.1
          30.0       1.0
          37.0       1.0
          38.0       2.1
          39.0       4.2
          41.0       1.1
          44.0       2.6
          45.0       1.3
          50.0       1.1
          51.0       2.6
          52.0       5.3
          53.0       2.8
          61.0       1.1
          62.0       3.4
          63.0      12.1
          64.0       5.4
          65.0      17.6
          66.0       1.6
          75.0       1.2
          76.0       1.7
          77.0       3.2
          78.0       3.0
          79.0       1.1
          80.0       1.9
          81.0       1.2
          89.0       2.6
          90.0      33.1
          91.0       7.9
          92.0       2.4
          93.0       3.0
         103.0       1.2
         104.0       3.4
         106.0       4.6
         107.0       1.2
         117.0       4.4
         118.0       7.9
         119.0       7.3
         120.0       3.2
         134.0       6.4
         138.0       1.3
         147.0       3.7
         148.0       3.0
         152.0       1.1
         164.0      68.7
         165.0       7.0
         166.0       2.0
         182.0     100.0
         183.0       9.0
         184.0       1.1
    

KBr disc

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nujol mull

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