3-Indoxyl-beta-D-glucopyranoside(487-60-5) MS

Product Name3-Indoxyl-beta-D-glucopyranoside

Molecular FormulaC14H17NO6

Molecular Weight295.29

InChIInChI=1/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2/t10-,11-,12+,13-,14-/s3

InChIKey XVARCVCWNFACQC-JOAVLQHANA-N

SmilesC12C=CC=CC=1NC=C2O[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O |&1:10,11,13,14,16,r|

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IR1

IR2

Mass

MS-IW-8633          
3-indolyl beta-D-glucopyranoside
C14H17NO6 3H2O      (Mass of molecular ion:    295)

   Source Temperature: 230 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      18.0       3.1
      27.0       1.2
      28.0       3.9
      29.0       2.2
      31.0       2.2
      39.0       1.3
      41.0       1.1
      42.0       1.1
      43.0       2.9
      44.0       1.1
      45.0       1.7
      50.0       2.1
      51.0       2.3
      52.0       1.2
      55.0       1.5
      56.0       1.2
      57.0       3.7
      60.0       4.8
      61.0       2.2
      69.0       1.7
      71.0       1.3
      73.0       4.5
      74.0       1.5
      75.0       1.0
      76.0       2.9
      77.0       5.6
      78.0       5.8
      85.0       2.0
      89.0       1.2
      97.0       1.0
     103.0       1.7
     104.0      12.3
     105.0       7.3
     117.0       2.0
     131.0       1.6
     132.0       5.7
     133.0     100.0
     134.0      10.5
     146.0       1.2

KBr disc