2018-61-3

N-Acetyl-L-phenylalanine(2018-61-3) IR1

Product NameN-Acetyl-L-phenylalanine

CAS 2018-61-3

Molecular FormulaC11H13NO3

Molecular Weight207.23

InChIInChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1

InChIKey CBQJSKKFNMDLON-JTQLQIEISA-N

SmilesC(O)(=O)[C@H](CC1=CC=CC=C1)NC(C)=O

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N-Acetyl-L-phenylalanine(2018-61-3) IR1
Mass

MS2004-02519WA      
N-acetyl-L-phenylalanine
C11H13NO3           (Mass of molecular ion:    207)

   Source Temperature: 150 °C
   Sample Temperature: 140 °C
   Direct, 70 eV

      18.0       2.0
      27.0       1.0
      28.0       3.8
      30.0       1.1
      39.0       4.8
      41.0       2.0
      42.0       2.2
      43.0      39.4
      44.0       1.6
      50.0       1.8
      51.0       5.0
      52.0       1.4
      60.0       2.6
      63.0       3.1
      65.0      11.4
      74.0      21.0
      75.0       1.2
      77.0       5.4
      78.0       2.5
      88.0       1.1
      89.0       2.7
      90.0       1.6
      91.0     100.0
      92.0      10.7
      93.0       1.2
     102.0       1.7
     103.0       5.4
     104.0       6.2
     117.0       1.6
     118.0       2.8
     119.0       2.7
     120.0      12.9
     121.0       1.2
     130.0       1.7
     131.0       1.9
     147.0      20.5
     148.0      50.1
     149.0       5.1
     163.0       1.1
     189.0       7.2
     190.0       1.1
     207.0       1.8