Alliin(556-27-4) ¹H NMR

Mass

MS-IW-8802          
3-allylsulfinyl-L-alanine
C6H11NO3S           (Mass of molecular ion:    177)

   Source Temperature: 180 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      15.0       1.8
      16.0      10.8
      17.0      17.9
      18.0      25.8
      26.0       3.1
      27.0       8.3
      28.0      13.6
      29.0       6.9
      30.0       5.0
      31.0       5.2
      32.0       2.3
      33.0       1.4
      34.0       4.1
      37.0       2.5
      38.0       4.4
      39.0      29.7
      40.0       8.5
      41.0      43.8
      42.0      12.7
      43.0       5.2
      44.0     100.0
      45.0      13.3
      46.0       3.4
      47.0       3.3
      48.0       1.7
      53.0       1.8
      54.0       2.6
      55.0       2.9
      56.0       2.5
      57.0      21.5
      58.0       6.1
      59.0       3.0
      60.0       1.3
      61.0       1.2
      64.0      14.3
      65.0       1.0
      66.0       1.4
      67.0       2.1
      68.0       3.4
      69.0       3.4
      70.0       1.5
      71.0       5.3
      72.0       6.7
      73.0      13.5
      74.0      11.5
      75.0       1.8
      76.0       1.4
      78.0       1.1
      79.0       1.7
      80.0       1.4
      81.0       2.5
      85.0       1.7
      87.0       1.2
      88.0       1.2
      90.0       4.8
      91.0       1.0
      92.0       1.0
      93.0       1.8
      94.0       1.7
      95.0       1.4
      99.0       1.3
     103.0       1.5
     104.0       1.3
     105.0       2.2
     106.0       4.5
     112.0       1.0
     113.0       6.4
     114.0       1.5
     146.0       2.4