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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L-Carnosine(305-84-0) MS
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