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635-39-2

鸟嘌呤盐酸盐(635-39-2)质谱(MS)

产品名称:鸟嘌呤盐酸盐

CAS:635-39-2

分子式:C5H6ClN5O

分子量: 187.59

InChI:InChI=1S/C5H5N5O.ClH/c6-5-9-3-2(4(11)10-5)7-1-8-3;/h1H,(H4,6,7,8,9,10,11);1H

InChIKey: IBAOFQIOOBQLHE-UHFFFAOYSA-N

Smiles:N1C2=C(N=C(NC2=O)N)N=C1.[H]Cl

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    Mass

    MS-NW-8322          
    guanine hydrochloride
    C5H5N5O HCl         (Mass of molecular ion:    151)
    

       Source Temperature: 250 °C
       Sample Temperature: 270 °C
       Direct, 75 eV
    

          17.0       1.1
          18.0       4.6
          27.0       6.9
          28.0      30.6
          29.0       3.2
          35.0       1.2
          36.0       9.2
          38.0       4.2
          39.0       2.2
          40.0       1.2
          41.0       1.5
          42.0       7.7
          43.0      47.8
          44.0      13.9
          52.0       1.3
          53.0      19.1
          54.0      25.7
          55.0       5.1
          56.0       1.5
          65.0       1.0
          66.0       1.4
          67.0       1.3
          68.0       5.2
          69.0       9.7
          70.0       2.5
          75.5       1.6
          79.0       2.4
          80.0       3.4
          81.0       8.5
          82.0       4.2
          83.0       2.0
          96.0       2.7
          97.0       1.2
         106.0       3.5
         107.0       1.4
         108.0      10.0
         109.0      21.8
         110.0      21.5
         111.0       1.2
         123.0       1.4
         124.0       1.4
         134.0       9.5
         135.0       5.9
         151.0     100.0
         152.0       8.0
    

parameter in D2O

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    1H NMR 300 MHz
    C5 H5 N5 O saturated in D2O
    guanine hydrochloride
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.751

         Hz     ppm     Int.
    

       2625.30   8.751   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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