5-THIO-D-GLUCOSE(20408-97-3) IR2

Product Name5-THIO-D-GLUCOSE

CAS 20408-97-3

Molecular FormulaC6H12O5S

Molecular Weight196.22

InChIInChI=1S/C6H12O5S/c7-1-3(9)5(10)6(11)4(12)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1

InChIKey IJJLRUSZMLMXCN-SLPGGIOYSA-N

SmilesO=C[C@@H]([C@H]([C@@H]([C@@H](CO)S)O)O)O

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IR1

IR2

Mass

MS-NW-6965          
5-thio-D-glucose
C6H12O5S            (Mass of molecular ion:    196)

   Source Temperature: 200 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      14.0       1.7
      15.0       7.7
      17.0       1.8
      18.0       8.4
      19.0       9.0
      26.0       2.1
      27.0      11.6
      28.0       5.5
      29.0      21.7
      30.0       3.8
      31.0      27.0
      32.0       2.3
      34.0       1.8
      35.0       2.5
      39.0       4.5
      41.0       8.2
      42.0      10.9
      43.0      19.4
      44.0       4.4
      45.0      14.9
      46.0       2.7
      47.0      11.3
      48.0       2.6
      53.0       1.5
      54.0       2.2
      55.0       9.5
      56.0       8.6
      57.0      31.7
      58.0       5.1
      59.0      24.1
      60.0      60.6
      61.0      19.2
      62.0       2.1
      63.0       3.6
      68.0       1.3
      69.0       7.5
      70.0       4.9
      71.0      17.3
      72.0       6.2
      73.0     100.0
      74.0       9.3
      75.0       4.2
      76.0       6.8
      77.0       9.9
      78.0       1.0
      81.0       1.1
      83.0       1.5
      84.0       2.7
      85.0       8.1
      86.0       2.6
      87.0       9.4
      88.0       7.9
      89.0      19.4
      90.0       4.8
      91.0       4.8
      97.0       3.5
      98.0       7.2
      99.0       5.3
     100.0       1.5
     101.0      16.3
     102.0       7.1
     103.0       2.5
     104.0       3.6
     105.0       3.8
     107.0       2.7
     113.0       2.3
     114.0       1.4
     116.0       5.3
     117.0       1.5
     118.0       1.4
     119.0       9.4
     127.0       4.2
     128.0       3.2
     129.0       7.0
     130.0       2.9
     131.0       4.0
     132.0       2.3
     145.0       1.1
     147.0      10.1
     148.0       1.3
     149.0       1.2
     160.0       5.6
     165.0       1.5
     178.0       5.2

KBr disc