L-Carnosine(305-84-0) MS

Product NameL-Carnosine

CAS 305-84-0

Molecular FormulaC9H14N4O3

Molecular Weight226.23

InChIInChI=1/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/s3

InChIKey CQOVPNPJLQNMDC-KPOCXSGKNA-N

Smiles[C@H](C(=O)O)(NC(=O)CCN)CC1N=CNC=1 |&1:0,r|

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Mass

MS2003-02097WA      
N(alpha)-(beta-alanyl)-L-histidine
C9H14N4O3           (Mass of molecular ion:    226)

   Source Temperature: 250 °C
   Sample Temperature: 300 °C
   Direct, 70 eV
   comment:  Pattern varies. middle period pattern is recorded.

      16.0       2.2
      17.0       3.0
      18.0       6.2
      26.0       1.0
      27.0       4.5
      28.0      14.6
      29.0       1.4
      30.0      21.7
      36.0       2.2
      39.0       3.2
      40.0       2.0
      41.0       3.6
      42.0       4.7
      43.0       4.0
      44.0      10.0
      45.0       1.3
      52.0       2.9
      53.0       2.4
      54.0      14.3
      55.0      12.6
      56.0       5.5
      57.0       1.0
      60.0       1.0
      66.0       2.7
      67.0       1.5
      68.0       3.0
      69.0       2.8
      70.0       2.4
      72.0       8.4
      74.0       1.9
      80.0       1.6
      81.0      65.1
      82.0     100.0
      83.0      17.3
      84.0       1.3
      89.0      22.2
      90.0       1.2
      92.0       1.2
      93.0      10.6
      94.0      28.5
      95.0      13.0
      96.0       2.2
      99.0       2.0
     107.0       3.1
     108.0       4.9
     109.0      10.4
     110.0      98.4
     111.0      10.1
     112.0       1.5
     119.0       1.3
     120.0       8.8
     121.0       6.0
     122.0       5.2
     128.0       2.1
     134.0       2.3
     135.0       1.2
     136.0       5.9
     137.0       2.0
     138.0      12.2
     139.0       8.6
     140.0      21.4
     141.0       1.7
     146.0       3.1
     152.0       1.8
     153.0       1.5
     154.0       3.0
     155.0       1.9
     156.0       5.5
     162.0       1.2
     163.0       1.0
     164.0       6.4
     165.0       3.5
     166.0       2.5
     179.0       1.7
     180.0       1.8
     181.0      15.1
     182.0       8.0
     183.0       1.5
     190.0       2.3
     191.0       1.2
     197.0       3.5
     208.0       3.5
     209.0       5.8
     210.0       1.5
     226.0       8.5
     227.0       1.2