L-Cysteine methyl ester hydrochloride(18598-63-5) MS

Product NameL-Cysteine methyl ester hydrochloride

CAS 18598-63-5

Molecular FormulaC4H10ClNO2S

Molecular Weight171.65

InChIInChI=1/C4H9NO2S.ClH/c1-7-4(6)3(5)2-8;/h3,8H,2,5H2,1H3;1H/t3-;/s3

InChIKey WHOHXJZQBJXAKL-OQFXAWDINA-N

Smiles[C@H](N)(CS)C(=O)OC.Cl |&1:0,r|

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L-Cysteine methyl ester hydrochloride(18598-63-5) MS
Mass

MS-NW-2577          
L-cysteine methyl ester hydrochloride
C4H9NO2S HCl        (Mass of molecular ion:    135)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       9.7
      18.0       1.5
      27.0       1.2
      28.0      17.1
      29.0       3.4
      30.0       8.2
      33.0      26.0
      35.0       4.2
      36.0      35.4
      37.0       1.3
      38.0      11.3
      41.0       2.7
      42.0      12.5
      43.0      15.5
      45.0       3.6
      46.0       1.8
      47.0       5.5
      48.0       2.0
      57.0       1.3
      58.0       1.8
      59.0      29.8
      60.0       3.7
      61.0       1.5
      74.0       3.6
      75.0      10.5
      76.0     100.0
      77.0       3.7
      78.0       4.1
      86.0       1.4
      88.0      60.1
      89.0       5.6
     135.0       2.5

400 MHz in D2O

L-Cysteine methyl ester hydrochloride(18598-63-5) MS

¹H NMR	399.65 MHz
C₄ H₉ N O₂ S	0.035 g : 0.5 ml D₂O
L-cysteine methyl ester hydrochloride

    Assign.     Shift(ppm)

      A             4.453
      B             3.871
      C     *1      3.18
      D     *1      3.15
     
     THE SOLVENT PEAK SUPPRESSED.

     Hz     ppm     Int.

   1784.79   4.466     75
   1779.42   4.453    112
   1774.78   4.441     77
   1549.44   3.877     71
   1547.12   3.872   1000
   1286.01   3.218     24
   1280.40   3.204     23
   1270.75   3.180    132
   1264.40   3.164    202
   1259.89   3.153    137
   1249.15   3.126     28
   1244.51   3.115     26

in D2O