L-Alanyl-L-proline(13485-59-1) MS

Product NameL-Alanyl-L-proline

CAS 13485-59-1

Molecular FormulaC8H14N2O3

Molecular Weight186.21

InChIInChI=1S/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)/t5-,6-/m0/s1

InChIKey WPWUFUBLGADILS-WDSKDSINSA-N

SmilesC(O)(=O)[C@@H]1CCCN1C(=O)[C@H](C)N

Request For Quotation

¹³CNMR

Mass

MS-KW-0838          
L-alanyl-L-proline
C8H14N2O3           (Mass of molecular ion:    186)

   Source Temperature: 170 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      15.0       3.5
      17.0       3.6
      18.0      19.1
      26.0       1.9
      27.0       9.4
      28.0      20.7
      29.0       1.7
      30.0       1.3
      39.0       6.9
      40.0       3.8
      41.0      24.0
      42.0      16.9
      43.0       9.4
      44.0     100.0
      45.0       2.8
      52.0       1.1
      53.0       1.7
      54.0       3.4
      55.0       9.9
      56.0       7.5
      57.0       1.2
      66.0       1.5
      67.0       2.0
      68.0      11.5
      69.0      27.8
      70.0      87.3
      71.0       5.2
      81.0       1.1
      82.0       1.8
      84.0       2.4
      85.0       1.1
      94.0       1.2
      96.0       1.8
      97.0      23.2
      98.0       5.0
      99.0       1.0
     112.0       4.9
     121.0       1.2
     125.0      25.4
     126.0       3.4
     140.0       7.5
     150.0       1.7
     168.0      50.5
     169.0       5.2

in D2O