627-77-0

DL-CITRULLINE(627-77-0) MS

Product NameDL-CITRULLINE

CAS 627-77-0

Molecular FormulaC6H13N3O3

Molecular Weight175.19

InChIInChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1

InChIKey RHGKLRLOHDJJDR-BYPYZUCNSA-N

SmilesC(O)(=O)[C@H](CCCNC(N)=O)N

Request For Quotation

¹HNMR

IR1

IR2

DL-CITRULLINE(627-77-0) MS
Mass

MS-NW-1922          
DL-2-amino-5-ureidovaleric acid
C6H13N3O3           (Mass of molecular ion:    175)

   Source Temperature: 220 °C
   Sample Temperature: 250 °C
   Direct, 75 eV

      12.0       1.1
      14.0       1.0
      15.0       4.7
      16.0       9.8
      17.0      13.8
      18.0      26.2
      26.0       4.1
      27.0      12.6
      28.0      46.0
      29.0      11.5
      30.0      57.1
      31.0       2.8
      32.0       1.5
      37.0       1.2
      38.0       2.9
      39.0      12.9
      40.0       5.8
      41.0      33.9
      42.0      23.2
      43.0      66.4
      44.0      39.7
      45.0       2.5
      51.0       1.7
      52.0       3.1
      53.0       3.0
      54.0       8.6
      55.0       7.4
      56.0      63.9
      57.0      15.3
      58.0      31.4
      59.0       2.0
      66.0       1.6
      67.0       3.8
      68.0      14.2
      69.0     100.0
      70.0      38.7
      71.0       2.7
      74.0       1.7
      75.0       2.8
      80.0       1.2
      81.0       1.0
      82.0       3.0
      83.0       3.0
      84.0       2.9
      85.0       7.1
      86.0       6.2
      87.0       2.1
      93.0       1.0
      94.0       1.4
      95.0       2.5
      96.0       2.8
      97.0       8.1
      98.0       1.7
      99.0       1.3
     101.0       1.4
     103.0       1.1
     110.0       1.7
     111.0       2.9
     112.0       5.1
     113.0       5.4
     114.0       5.8
     115.0       1.2
     135.0       1.6
     136.0       1.3
     137.0       1.6
     138.0       2.0
     139.0       1.9
     140.0       3.8
     164.0       1.3
     176.0       1.1
     190.0       1.3
     197.0       1.1