Tetracycline(60-54-8) MS

Molecular FormulaC22H24N2O8

Molecular Weight444.43

InChIInChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1

InChIKey OFVLGDICTFRJMM-WESIUVDSSA-N

SmilesC1(=O)[C@]2(O)[C@@]([H])(C[C@@]3([H])C(=C2O)C(=O)C2=C(C=CC=C2O)[C@]3(O)C)[C@H](N(C)C)C(O)=C1C(N)=O

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IR1

IR2

Mass

MS-NW-7870          
tetracycline
C22H24N2O8 2H2O     (Mass of molecular ion:    444)

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

      12.0       2.0
      15.0       9.4
      16.0       9.7
      17.0      11.7
      18.0      32.8
      27.0       1.8
      28.0      16.8
      29.0       1.7
      30.0       5.8
      39.0       1.5
      40.0       2.5
      41.0       4.2
      42.0      15.2
      43.0       9.0
      44.0     100.0
      45.0      22.7
      46.0       6.8
      55.0       1.4
      56.0       1.4
      57.0       2.1
      58.0      21.3
      59.0       2.2
      69.0       1.6
      70.0       1.4
      71.0       2.5
      72.0       5.3
      76.0       1.0
      77.0       1.1
      82.0       1.3
      84.0       8.8
      85.0       1.3
      86.0       1.1
      87.0       1.6
      88.0       2.2
      89.0       1.0
      98.0       4.0
     100.0       2.3
     102.0       1.7
     113.0       1.2
     114.0       1.1
     115.0       1.9
     126.0       1.4
     127.0       2.1
     128.0       1.7
     129.0       1.0
     130.0       1.1
     138.0       1.7
     139.0       5.3
     140.0       1.4
     141.0       1.3
     151.0       1.6
     152.0       2.9
     153.0       1.7
     154.0       1.4
     158.0       1.4
     163.0       1.2
     165.0       2.0
     170.0       1.9
     171.0       1.2
     174.0       1.1
     181.0       2.0
     182.0       1.0
     186.0       1.1
     187.0       1.4
     188.0       1.0
     195.0       1.3
     196.0       1.1
     197.0       1.9
     210.0       1.5
     211.0       1.9
     212.0       1.1
     213.0       4.5
     214.0       1.4
     224.0       1.2
     225.0       2.8
     226.0       1.4
     227.0       2.3
     238.0       1.0
     239.0       2.8
     240.0       2.7
     241.0      14.6
     242.0       2.8
     252.0       1.4
     255.0       1.2
     256.0       7.2
     257.0       1.7
     266.0       1.1
     268.0       2.5
     269.0       1.0
     283.0       1.0
     296.0       1.4
     313.0       1.6
     314.0       2.4
     426.0       2.1

KBr disc