21593-77-1

S-ALLYL-L-CYSTEINE(21593-77-1) IR2

Product NameS-ALLYL-L-CYSTEINE

CAS 21593-77-1

Molecular FormulaC6H11NO2S

Molecular Weight161.22

InChIInChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1

InChIKey ZFAHNWWNDFHPOH-YFKPBYRVSA-N

SmilesC(O)(=O)[C@H](CSCC=C)N

Request For Quotation

¹HNMR

IR1

IR2

S-ALLYL-L-CYSTEINE(21593-77-1) IR2
Mass

MS-IW-8801          
3-allylthio-L-alanine
C6H11NO2S           (Mass of molecular ion:    161)

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

      15.0       2.3
      16.0       1.0
      17.0       3.1
      18.0      11.6
      26.0       2.5
      27.0       6.5
      28.0      19.3
      29.0       2.2
      30.0      12.9
      32.0       1.2
      33.0       1.0
      34.0       2.9
      37.0       1.5
      38.0       3.4
      39.0      24.4
      40.0       7.5
      41.0      77.0
      42.0      18.2
      43.0      15.1
      44.0       9.9
      45.0      37.9
      46.0       9.0
      47.0       9.2
      48.0       2.1
      53.0      10.0
      54.0       2.0
      55.0       3.0
      56.0       3.1
      57.0       2.2
      58.0       3.3
      59.0       6.9
      60.0       1.6
      61.0       1.3
      64.0       1.2
      65.0       1.0
      68.0       1.2
      69.0       1.7
      70.0       2.0
      71.0      10.9
      72.0      16.2
      73.0      17.3
      74.0      83.8
      75.0       6.9
      76.0       3.6
      82.0       1.4
      85.0       8.8
      86.0       1.5
      87.0     100.0
      88.0      58.7
      89.0      32.9
      90.0       4.2
      97.0       1.6
      98.0       4.2
      99.0       1.4
     100.0       1.1
     102.0       1.0
     103.0       1.4
     114.0       4.6
     115.0       2.2
     116.0       8.6
     132.0       6.6
     144.0       1.6
     161.0       6.7
     162.0       1.1