7512-17-6

N-Acetyl-D-Glucosamine(7512-17-6) IR1

Product NameN-Acetyl-D-Glucosamine

CAS 7512-17-6

Molecular FormulaC8H15NO6

Molecular Weight221.21

InChIInChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m0/s1

InChIKey MBLBDJOUHNCFQT-LXGUWJNJSA-N

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

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N-Acetyl-D-Glucosamine(7512-17-6) IR1
Mass

MS-NW-1779          
N-acetyl-D-glucosamine
C8H15NO6            (Mass of molecular ion:    221)

   Source Temperature: 230 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      14.0       3.3
      15.0      22.1
      17.0       2.6
      18.0      12.2
      19.0       6.4
      26.0       2.3
      27.0       7.2
      28.0      15.0
      29.0      20.3
      30.0      44.0
      31.0      26.6
      32.0       6.7
      39.0       2.2
      40.0       1.3
      41.0       4.9
      42.0      13.3
      43.0     100.0
      44.0       9.1
      45.0       5.3
      47.0       1.9
      54.0       3.0
      55.0       7.7
      56.0      11.4
      57.0       4.5
      58.0       6.1
      59.0      36.7
      60.0      32.7
      61.0      13.1
      68.0       1.5
      69.0       1.7
      70.0       2.4
      71.0       4.6
      72.0      44.3
      73.0      16.7
      74.0       3.6
      83.0       7.5
      84.0       8.2
      85.0       3.0
      86.0       2.1
      88.0       5.6
      91.0       1.6
      96.0       3.5
      97.0       2.1
      98.0       2.1
     100.0      10.7
     101.0      16.8
     102.0       3.3
     103.0       1.1
     112.0       3.3
     113.0       1.5
     114.0      21.6
     115.0       2.6
     118.0       1.0
     125.0       4.0
     126.0       1.6
     130.0       5.5
     142.0       4.4
     143.0       5.9
     148.0       1.2
     154.0       2.4
     172.0       1.0