81012-91-1

L-谷氨酰-1-萘胺(81012-91-1)质谱(MS)

分子式:C15H18N2O4

分子量: 290.32

InChI:InChI=1/C15H16N2O3.H2O/c16-12(15(19)20)8-9-14(18)17-13-7-3-5-10-4-1-2-6-11(10)13;/h1-7,12H,8-9,16H2,(H,17,18)(H,19,20);1H2/t12-;/s3

InChIKey: QJIBNSSNADIAKZ-ZLBVLXFENA-N

Smiles:N(C1=CC=CC2=CC=CC=C12)C(=O)CC[C@H](N)C(=O)O.O |&1:15,r|

IR1

Raman

Mass

MS-NW-6622          
N(5)-(1-naphthyl)-L-glutamine
C15H16N2O3 H2O      (Mass of molecular ion:    272)

   Source Temperature: 240 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      17.0       2.0
      18.0       7.3
      26.0       2.0
      27.0       5.4
      28.0      18.8
      29.0       2.3
      30.0       2.2
      37.0       1.2
      38.0       2.1
      39.0       7.8
      40.0       1.4
      41.0      12.8
      42.0       1.6
      43.0       1.1
      44.0       4.6
      45.0       2.7
      50.0       3.5
      51.0       4.6
      52.0       2.4
      54.0       3.3
      55.0       3.4
      56.0      12.3
      57.0       1.3
      57.5       1.1
      58.5       1.8
      62.0       3.1
      63.0       6.2
      64.0       1.7
      65.0       2.8
      66.0       1.1
      70.5       1.9
      71.5       3.1
      73.0       1.0
      74.0       3.7
      75.0       4.3
      76.0       2.9
      77.0       5.9
      78.0       1.3
      81.0       3.4
      83.0       1.6
      84.0      35.5
      85.0       2.2
      86.0       1.5
      87.0       2.3
      88.0       2.0
      89.0       5.6
      90.0       1.9
      91.0       1.7
     101.0       3.5
     102.0       1.8
     103.0       1.6
     104.0       3.1
     104.5       1.4
     113.0       2.7
     114.0       3.9
     115.0      37.9
     116.0      15.4
     117.0       3.3
     126.0       6.7
     127.0      14.8
     128.0       6.4
     129.0       1.8
     140.0       4.0
     141.0       2.9
     142.0      14.1
     143.0     100.0
     144.0      13.1
     152.0       1.6
     153.0       7.5
     154.0       3.8
     166.0       1.8
     167.0       3.7
     168.0       3.1
     169.0       1.4
     180.0       7.5
     181.0       3.6
     182.0       1.7
     184.0       1.0
     185.0       1.2
     192.0       3.0
     193.0       1.1
     205.0       1.8
     206.0       3.8
     207.0       6.6
     208.0      12.0
     209.0      23.3
     210.0       5.1
     253.0      11.3
     254.0      30.7
     255.0       5.6
     272.0       1.1

nujol mull