7-AZATRYPTOPHAN MONOHYDRATE(1137-00-4) MS

Product Name7-AZATRYPTOPHAN MONOHYDRATE

CAS 1137-00-4

Molecular FormulaC10H11N3O2

Molecular Weight205.22

InChIInChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)

InChIKey SNLOIIPRZGMRAB-UHFFFAOYSA-N

SmilesC12C=CC=NC=1NC=C2CC(N)C(=O)O

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IR1

Mass

MS-NW-8786          
7-azatryptophan
C10H11N3O2 H2O      (Mass of molecular ion:    205)

   Source Temperature: 210 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      18.0       2.9
      28.0       3.2
      44.0       1.1
      51.0       2.2
      66.0       1.0
      76.0       1.4
      77.0       4.4
      78.0       3.2
      80.0       1.9
     103.0       1.2
     104.0       8.6
     118.0       1.0
     131.0     100.0
     132.0      14.2
     133.0       1.9
     159.0       1.4
     160.0       1.3
     205.0       1.3

KBr disc

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