ADENYLIC ACID(67583-85-1) MS

Molecular FormulaC20H28N10O14P2

Molecular Weight694.44

InChIInChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/s3

InChIKey UDMBCSSLTHHNCD-BFXIWLNFNA-N

SmilesP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@H](O)[C@@H]1O)(O)(O)=O |&1:3,5,16,18,r|

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IR1

IR2

Mass

MS2002-01380WA      
adenosine monophosphate
C10H14N5O7P H2O     (Mass of molecular ion:    347)

   Source Temperature: 250 °C
   Sample Temperature:  65 °C
   Direct, 70 eV

      17.0       6.7
      18.0      30.8
      27.0       1.9
      28.0      16.6
      29.0       2.8
      38.0       2.2
      39.0       2.7
      40.0       1.9
      43.0       4.3
      44.0       3.8
      53.0       8.7
      54.0      10.7
      55.0       3.6
      56.0       2.2
      57.0       2.3
      65.0       2.2
      66.0       6.2
      67.0       2.2
      67.5       2.0
      68.0       1.7
      70.0       3.1
      71.0       1.2
      73.0       1.1
      80.0       3.8
      81.0       9.6
      92.0       1.7
     107.0       2.0
     108.0      27.0
     109.0       1.7
     114.0       1.8
     119.0       1.2
     134.0       2.9
     135.0     100.0
     136.0       7.3
     148.0       1.0

KBr disc

nujol mull

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