1098-50-6

丹磺酰-L-缬胺酸(1098-50-6)质谱(MS)

分子式:C17H22N2O4S

分子量: 350.43

InChI:InChI=1S/C17H22N2O4S/c1-11(2)16(17(20)21)18-24(22,23)15-10-6-7-12-13(15)8-5-9-14(12)19(3)4/h5-11,16,18H,1-4H3,(H,20,21)/t16-/m0/s1

InChIKey: VULDIKGSZAUMHB-INIZCTEOSA-N

Smiles:C(O)(=O)[C@H](C(C)C)NS(C1=C2C(C(N(C)C)=CC=C2)=CC=C1)(=O)=O

IR1

IR2

Mass

MS-NW-2163          
N-(5-dimethylamino-1-naphthylsulfonyl)-L-valine
C17H22N2O4S         (Mass of molecular ion:    350)

   Source Temperature: 200 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      15.0       1.0
      17.0       1.5
      18.0       8.0
      27.0       2.8
      28.0       7.0
      29.0       1.4
      39.0       2.5
      41.0       3.7
      42.0       7.8
      43.0       4.9
      44.0       5.1
      50.0       1.0
      51.0       1.2
      55.0       1.3
      56.0       3.7
      57.0       1.2
      63.0       2.2
      64.0       1.8
      70.0       1.6
      72.0       1.3
      74.0       1.8
      75.0       2.1
      76.0       2.1
      77.0       2.9
      83.5       1.4
      84.5       1.3
      85.0       1.2
      87.0       1.0
     101.0       1.6
     102.0       1.2
     113.0       1.3
     114.0       1.8
     115.0       5.1
     116.0       1.0
     126.0       5.4
     127.0      11.5
     128.0       8.2
     129.0       4.4
     130.0       1.9
     131.0       3.5
     139.0       1.1
     140.0       2.0
     141.0       1.8
     142.0       1.4
     143.0       2.1
     144.0       1.5
     148.0       1.8
     152.0       1.2
     152.5       1.0
     153.0       2.2
     154.0      14.3
     155.0      10.7
     156.0       3.2
     157.0       1.9
     167.0       2.8
     168.0      24.0
     169.0      12.8
     170.0      77.0
     171.0     100.0
     172.0      13.7
     174.0       2.4
     184.0       1.4
     185.0       2.3
     186.0       5.5
     202.0       1.8
     203.0       5.7
     204.0       1.1
     218.0       1.3
     219.0       1.3
     234.0       3.8
     235.0       4.5
     236.0       1.0
     249.0       3.4
     250.0      28.9
     251.0       4.4
     252.0       1.7
     261.0       1.7
     304.0      10.7
     305.0       2.8
     306.0       1.1
     350.0      84.6
     351.0      17.3
     352.0       6.2
     353.0       1.0

KBr disc