62571-86-2

卡托普利(62571-86-2)质谱(MS)

产品名称:卡托普利

CAS:62571-86-2

分子式:C9H15NO3S

分子量: 217.29

InChI:InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1

InChIKey: FAKRSMQSSFJEIM-RQJHMYQMSA-N

Smiles:C(O)(=O)[C@@H]1CCCN1C(=O)[C@H](C)CS

¹³CNMR

IR1

Mass

MS-KW-0435          
(S)-(-)-1-(3-mercapto-2-methylpropionyl)-L-proline
C9H15NO3S           (Mass of molecular ion:    217)

   Source Temperature: 180 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       2.0
      27.0       3.0
      28.0       6.5
      29.0       1.1
      39.0       3.5
      40.0       1.0
      41.0      18.6
      42.0       6.8
      43.0       7.5
      44.0       1.6
      45.0       2.6
      47.0       5.8
      55.0       3.9
      56.0       2.2
      68.0       5.1
      69.0      11.2
      70.0     100.0
      71.0       6.2
      72.0       1.7
      73.0       1.2
      74.0       1.4
      75.0       8.9
      87.0       1.2
      96.0       1.1
      97.0       1.4
      98.0       2.4
     101.0       3.4
     103.0       1.3
     112.0       1.1
     114.0       5.3
     115.0       1.2
     116.0       6.9
     124.0       1.0
     126.0       9.5
     127.0       4.9
     131.0       2.5
     138.0       2.4
     140.0       8.2
     152.0       2.7
     158.0       1.2
     170.0       1.4
     171.0       7.1
     172.0       3.6
     173.0       6.1
     184.0       6.1
     199.0       5.5
     217.0      13.5
     218.0       1.9

in DMSO-d6