487-79-6

Kainic acid(487-79-6) IR2

Molecular FormulaC10H15NO4

Molecular Weight213.23

InChIInChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1

InChIKey VLSMHEGGTFMBBZ-OOZYFLPDSA-N

SmilesN1C[C@H](C(C)=C)[C@H](CC(O)=O)[C@H]1C(O)=O

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¹HNMR

IR1

IR2

Kainic acid(487-79-6) IR2
Mass

MS-NW-6483          
(2S,3S,4R)-2-carboxy-4-isopropenyl-3-pyrrolidineacetic acid
C10H15NO4           (Mass of molecular ion:    213)

   Source Temperature: 200 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      15.0       2.2
      17.0       2.5
      18.0      11.4
      27.0      10.9
      28.0      13.5
      29.0       7.4
      30.0      18.9
      31.0       1.8
      38.0       1.4
      39.0      16.7
      40.0       4.4
      41.0      40.7
      42.0      10.2
      43.0      13.5
      44.0      13.7
      45.0       4.7
      50.0       1.2
      51.0       3.7
      52.0       2.9
      53.0      13.8
      54.0       6.2
      55.0       7.8
      56.0      12.1
      57.0       2.3
      58.0       1.0
      63.0       1.0
      65.0       3.7
      66.0       2.3
      67.0      16.3
      68.0      27.9
      69.0      28.9
      70.0       2.2
      74.0       1.3
      77.0       7.4
      78.0       2.1
      79.0      11.2
      80.0      45.2
      81.0      15.3
      82.0       9.6
      83.0       9.9
      84.0       2.2
      85.0       4.3
      87.0      27.8
      88.0       3.3
      91.0       5.0
      92.0       2.4
      93.0      23.3
      94.0      11.2
      95.0       6.3
      96.0       5.2
      97.0       6.8
      99.0       1.8
     100.0       6.4
     101.0       3.7
     105.0       3.2
     106.0       3.6
     107.0       6.0
     108.0      27.9
     109.0      12.7
     110.0       2.6
     111.0       2.9
     112.0       5.1
     119.0       1.0
     120.0       4.0
     121.0       4.8
     122.0      23.6
     123.0       3.7
     124.0       2.7
     125.0       1.9
     126.0      10.8
     127.0       2.0
     134.0       1.1
     135.0       1.2
     138.0       3.4
     139.0       6.6
     140.0       3.6
     145.0       1.2
     147.0       1.0
     149.0       1.1
     150.0       8.1
     151.0       1.5
     152.0       4.0
     153.0      22.2
     154.0       4.3
     166.0       1.9
     167.0       9.7
     168.0     100.0
     169.0      10.5
     170.0       1.7
     177.0       1.2
     195.0      12.5
     196.0       1.6
     213.0       8.3
     214.0       1.3