3459-18-5

4-Nitrophenyl-N-acetyl-beta-D-glucosaminide(3459-18-5) MS

Product Name4-Nitrophenyl-N-acetyl-beta-D-glucosaminide

Molecular FormulaC14H18N2O8

Molecular Weight342.3

InChIInChI=1/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14-/s3

InChIKey OMRLTNCLYHKQCK-DOSMMQPLNA-N

SmilesO(C1C=CC(N(=O)=O)=CC=1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)C |&1:10,12,15,17,19,r|

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4-Nitrophenyl-N-acetyl-beta-D-glucosaminide(3459-18-5) MS
Mass

MS-IW-1190          
p-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
C14H18N2O8          (Mass of molecular ion:    342)

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

      15.0       5.0
      17.0       1.6
      18.0       8.3
      19.0       2.4
      26.0       2.0
      27.0       6.7
      28.0      12.2
      29.0       7.5
      30.0       6.7
      31.0       6.6
      37.0       1.7
      38.0       4.8
      39.0      28.2
      40.0       2.3
      41.0       4.9
      42.0      17.3
      43.0      49.8
      44.0       4.7
      45.0       4.1
      46.0       1.1
      50.0       3.2
      51.0       3.2
      52.0       3.4
      53.0       9.3
      54.0       3.9
      55.0      11.7
      56.0       7.8
      57.0       8.3
      58.0       4.9
      59.0      41.2
      60.0      26.6
      61.0       6.4
      62.0       4.2
      63.0       9.1
      64.0       4.4
      65.0      44.8
      66.0       3.9
      67.0       1.2
      68.0       2.3
      69.0       3.1
      70.0       3.8
      71.0       6.4
      72.0      13.1
      73.0      25.1
      74.0       4.2
      75.0       1.8
      79.0       1.4
      80.0       2.5
      81.0      11.3
      82.0       2.3
      83.0      41.7
      84.0     100.0
      85.0      11.0
      86.0       2.9
      87.0       8.4
      88.0      11.3
      92.0       1.5
      93.0      16.2
      94.0       1.7
      95.0       1.3
      96.0       5.0
      97.0       4.5
      98.0       3.9
      99.0       2.9
     100.0       3.7
     101.0      12.7
     102.0       2.9
     103.0       1.1
     107.0       1.2
     108.0       1.2
     109.0      22.6
     110.0       2.2
     111.0       1.0
     112.0       7.6
     113.0       3.3
     114.0      14.6
     115.0       5.2
     116.0       1.6
     123.0       5.2
     124.0       1.9
     125.0       2.6
     126.0       5.3
     127.0       1.5
     130.0      18.4
     131.0       1.4
     132.0       1.1
     138.0       2.6
     139.0      81.3
     140.0       8.3
     141.0       3.7
     142.0       2.5
     143.0       1.3
     144.0       5.0
     145.0       1.3
     154.0       2.6
     161.0       2.3
     168.0       1.9
     172.0       1.3
     174.0       1.0
     185.0       1.3
     186.0       3.4
     203.0       1.1
     204.0       3.5