965-03-7

N-Α-苯甲酰-L-精氨酰胺盐酸盐(965-03-7)质谱(MS)

分子式:C13H19N5O2

分子量: 277.32

InChI:InChI=1S/C13H19N5O2/c14-11(19)10(7-4-8-17-13(15)16)18-12(20)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,14,19)(H,18,20)(H4,15,16,17)/t10-/m0/s1

InChIKey: UMKJQJGLFKDADN-JTQLQIEISA-N

Smiles:C(N[C@H](C(N)=O)CCCNC(N)=N)(=O)C1=CC=CC=C1

Mass

MS-NW-2337          
N(alpha)-benzoyl-L-argininamide monohydrochloride
C13H19N5O2 HCl H2O  (Mass of molecular ion:    277)

   Source Temperature: 260 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      13.0       1.0
      15.0       1.8
      16.0      27.8
      17.0      40.6
      18.0      41.8
      26.0       5.3
      27.0      16.0
      28.0      16.5
      29.0       2.3
      30.0      10.3
      35.0       8.8
      36.0      77.3
      37.0       2.9
      38.0      24.7
      39.0      12.8
      40.0       4.7
      41.0      21.6
      42.0      17.7
      43.0      20.9
      44.0       8.2
      49.0       1.2
      50.0      13.9
      51.0      26.4
      52.0       9.2
      53.0       4.6
      54.0       5.5
      55.0       5.5
      56.0       5.6
      57.0       3.1
      58.0       1.2
      59.0       2.6
      60.0       1.0
      62.0       1.4
      63.0       3.3
      64.0       2.6
      65.0       3.1
      66.0       3.0
      67.0       7.7
      68.0      18.5
      69.0      13.6
      70.0      22.1
      71.0       2.0
      72.0       2.0
      73.0       1.2
      74.0       3.6
      75.0       5.7
      76.0      21.8
      77.0      74.0
      78.0       9.0
      79.0       4.6
      80.0       1.8
      81.0       1.9
      82.0       1.2
      83.0       2.3
      84.0       3.3
      85.0      16.8
      86.0       3.6
      87.0       1.6
      89.0       1.7
      90.0       1.0
      91.0       1.8
      92.0       5.5
      93.0       2.3
      94.0       2.3
      95.0       7.7
      96.0      11.3
      97.0       9.5
      97.5       1.1
      98.0       4.3
      99.0       1.7
     100.0       1.1
     102.0       2.2
     103.0      53.8
     104.0      67.1
     105.0     100.0
     106.0       8.7
     107.0       1.1
     109.0       1.3
     110.0       2.0
     111.0       2.0
     112.0       4.9
     113.0      27.1
     114.0       3.0
     115.0       1.6
     116.0       1.1
     117.0       4.0
     118.0       1.1
     120.0       2.6
     121.0      16.4
     122.0       7.4
     123.0       1.2
     127.0       2.2
     128.0       1.6
     129.0       2.9
     130.0       1.8
     131.0       1.2
     133.0       1.2
     134.0       1.8
     135.0       1.1
     136.0       1.3
     137.0       1.2
     138.0       1.2
     139.0       1.8
     140.0       1.2
     141.0       1.0
     143.0       1.1
     144.0       1.6
     145.0       2.1
     146.0       1.2
     147.0       1.1
     148.0       1.8
     154.0       1.1
     155.0       1.4
     156.0       1.3
     157.0       1.4
     158.0       1.0
     160.0       3.0
     161.0       3.1
     162.0       2.4
     163.0       1.1
     164.0       2.9
     168.0       1.9
     169.0       1.5
     170.0       2.7
     171.0       6.9
     172.0      16.9
     173.0      25.9
     174.0       7.0
     175.0       1.1
     182.0       1.7
     183.0       1.0
     184.0       1.4
     185.0       1.8
     186.0       3.5
     187.0       2.3
     189.0       1.1
     190.0       1.1
     194.0       2.0
     195.0      20.4
     196.0       6.0
     197.0       3.0
     198.0      16.4
     199.0      33.2
     200.0      21.5
     201.0       3.2
     212.0       1.2
     213.0       1.6
     215.0       1.9
     216.0       1.5
     217.0       1.1
     218.0      10.6
     219.0       1.6
     227.0       1.1
     232.0       1.7
     241.0       6.8
     242.0      15.8
     243.0       2.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₃ H₁₉ N₅ O₂	0.039 g : 0.5 ml DMSO-d₆
N(alpha)-benzoyl-L-argininamide monohydrochloride

    Assign.     Shift(ppm)

      A             8.51
      B             7.955
      C             7.93
      D     *1      7.59
      E             7.542
      F             7.474
      G     *1      7.12
      J             4.416
      K             3.150
      L     *2      1.85
      M     *2      1.78
      N             1.55

     Hz     ppm     Int.

   3406.52   8.524    357
   3398.59   8.504    375
   3183.29   7.966    758
   3176.27   7.948   1000
   3174.90   7.945    779
   3170.78   7.934    321
   3033.60   7.591    383
   3016.05   7.547    493
   3010.10   7.532    262
   3008.73   7.529    431
   3007.35   7.525    262
   2993.77   7.491    662
   2987.37   7.475    511
   2985.99   7.472    922
   2978.97   7.454    415
   2977.91   7.452    290
   2845.76   7.121    404
   1776.89   4.447     95
   1771.85   4.434    114
   1767.73   4.424    173
   1763.61   4.413    157
   1763.00   4.412    156
   1759.49   4.403    132
   1754.46   4.390    102
   1269.07   3.176    137
   1262.51   3.160    333
   1256.10   3.144    342
   1249.54   3.127    144
    754.55   1.889     51
    746.92   1.869     87
    740.81   1.854    113
    737.46   1.846    109
    731.96   1.832    105
    725.71   1.816     96
    720.21   1.803     71
    715.48   1.791    110
    710.75   1.779    137
    706.02   1.767     93
    701.45   1.756    113
    697.33   1.745     66
    692.29   1.733     44
    687.41   1.721     36
    650.63   1.628     39
    644.07   1.612     71
    642.24   1.608     61
    590.67   1.478     34

in DMSO-d6