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4245-76-5

1-甲基-3-硝基胍(4245-76-5)质谱(MS)

产品名称:1-甲基-3-硝基胍

CAS:4245-76-5

分子式:C2H6N4O2

分子量: 118.09

InChI:InChI=1S/C2H6N4O2/c1-4-2(3)5-6(7)8/h1H3,(H3,3,4,5)

InChIKey: XCXKNNGWSDYMMS-UHFFFAOYSA-N

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

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    Mass

    MS-NW-5508          
    1-methyl-3-nitroguanidine
    C2H6N4O2            (Mass of molecular ion:    118)
    

       Source Temperature: 170 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          13.0       1.3
          14.0       1.3
          15.0       9.8
          16.0       1.0
          17.0       1.9
          18.0      36.4
          27.0       5.9
          28.0      59.9
          29.0      10.3
          30.0      72.8
          31.0       2.2
          40.0       1.1
          41.0       2.9
          42.0      11.8
          43.0     100.0
          44.0      16.8
          45.0       1.2
          46.0       8.3
          53.0       4.0
          54.0       1.1
          55.0      46.3
          56.0      22.4
          57.0      10.5
          58.0      12.2
          71.0       1.1
          72.0      71.3
          73.0       2.7
          88.0       5.4
         118.0      36.2
         119.0       1.9
    

DMSO-d6

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KBr disc

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nujol mull

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4880 A,200 M,powder

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