868-59-7

L-半胱氨酸乙酯盐酸盐(868-59-7)质谱(MS)

产品名称:L-半胱氨酸乙酯盐酸盐

CAS:868-59-7

分子式:C5H12ClNO2S

分子量: 185.67

InChI:InChI=1/C5H11NO2S.ClH/c1-2-8-5(7)4(6)3-9;/h4,9H,2-3,6H2,1H3;1H/t4-;/s3

InChIKey: JFKJWWJOCJHMGV-NDILARRWNA-N

Smiles:C(=O)(OCC)[C@@H](N)CS.Cl |&1:5,r|

Mass

MS-NW-2578          
L-cysteine ethyl ester hydrochloride
C5H11NO2S HCl       (Mass of molecular ion:    149)

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

      15.0       2.7
      18.0       1.3
      19.0       1.1
      27.0       5.1
      28.0      14.8
      29.0      10.4
      30.0       6.8
      35.0       3.0
      36.0      25.3
      38.0       8.3
      41.0       1.9
      42.0       8.2
      43.0      12.0
      44.0       1.3
      45.0       1.9
      46.0       6.3
      47.0       3.4
      48.0       1.7
      57.0       1.1
      58.0       1.2
      59.0      21.7
      74.0      24.2
      75.0      13.0
      76.0     100.0
      77.0       4.0
      78.0       4.5
     102.0      31.6
     103.0       2.3
     149.0       1.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₅ H₁₁ N O₂ S	0.039 g : 0.5 ml DMSO-d₆
L-cysteine ethyl ester hydrochloride

    Assign.     Shift(ppm)

      A             9.03
      B             4.312
      C             4.219
      D             3.5
      E     *1      3.421
      F     *1      3.333
      G             1.261

     Hz     ppm     Int.

   3609.16   9.031    212
   1729.74   4.329     79
   1723.79   4.314    144
   1718.14   4.300     81
   1697.08   4.247    120
   1689.91   4.229    391
   1682.89   4.211    399
   1675.72   4.193    126
   1395.26   3.492     73
   1378.63   3.450     77
   1373.29   3.437     75
   1363.98   3.413    121
   1358.80   3.400    106
   1340.64   3.355    107
   1334.23   3.339    112
   1326.14   3.319     65
   1319.73   3.303     56
    511.17   1.280    481
    504.00   1.262   1000
    496.98   1.244    453

in DMSO-d6

in D2O