SPICULISPORIC ACID

Mass

MS-NW-9781          
2-carboxy-alpha-decyl-5-oxotetrahydro-2-furanacetic acid
C17H28O6            (Mass of molecular ion:    328)

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

      18.0       2.7
      27.0       2.8
      28.0       1.0
      29.0       5.4
      39.0       3.1
      41.0      12.9
      42.0       2.2
      43.0      11.9
      44.0       1.1
      53.0       2.7
      54.0       1.7
      55.0      13.3
      56.0       2.3
      57.0       5.6
      65.0       2.8
      66.0       1.9
      67.0       8.1
      68.0       3.5
      69.0       6.9
      70.0       2.8
      71.0       3.4
      77.0       4.5
      78.0       1.3
      79.0       9.1
      80.0       3.2
      81.0       8.6
      82.0       5.0
      83.0       7.7
      84.0       2.4
      85.0       2.7
      91.0       5.3
      92.0       1.6
      93.0       8.8
      94.0       4.8
      95.0       8.3
      96.0       5.0
      97.0       5.2
      98.0       5.5
      99.0       2.3
     101.0       1.1
     105.0       3.6
     106.0       1.4
     107.0       6.3
     108.0       3.6
     109.0       6.0
     110.0       5.4
     111.0      18.1
     112.0       5.1
     113.0       1.6
     114.0       2.4
     117.0       1.3
     119.0       3.5
     120.0       1.9
     121.0       6.2
     122.0       5.2
     123.0       5.8
     124.0       5.3
     125.0       7.9
     126.0       4.5
     127.0       3.8
     131.0       1.4
     132.0       1.6
     133.0       3.5
     134.0       3.2
     135.0       6.6
     136.0       8.3
     137.0       6.6
     138.0      26.5
     139.0      11.3
     140.0      10.2
     141.0       1.7
     142.0       1.3
     143.0       1.8
     145.0       1.2
     147.0       3.3
     148.0       4.5
     149.0       7.0
     150.0       5.5
     151.0       9.4
     152.0      10.5
     153.0      10.7
     154.0       5.4
     155.0       1.5
     161.0       4.2
     162.0       5.8
     163.0       4.2
     164.0       4.5
     165.0       7.5
     166.0     100.0
     167.0      15.0
     168.0       4.9
     169.0       1.1
     175.0       3.0
     176.0       4.2
     177.0       4.3
     178.0       5.4
     179.0       8.1
     180.0      22.3
     181.0       5.4
     182.0       2.2
     184.0      22.0
     185.0       2.7
     189.0       2.9
     190.0       4.6
     191.0       4.7
     192.0       3.0
     193.0      15.5
     194.0       9.8
     195.0       2.7
     196.0       2.1
     198.0       1.5
     203.0       2.0
     204.0       2.6
     205.0       3.1
     206.0       2.2
     207.0       4.6
     208.0       5.2
     209.0       4.1
     210.0       1.5
     217.0       1.1
     218.0       2.1
     219.0       3.2
     220.0       2.4
     221.0       2.0
     222.0       3.6
     223.0       2.1
     232.0       1.3
     235.0       1.1
     236.0       5.0
     237.0       2.6
     238.0       2.4
     246.0       5.5
     247.0       3.6
     248.0       1.7
     250.0       3.4
     264.0       9.3
     265.0       3.5
     266.0       1.4
     274.0       1.1
     292.0       7.4
     293.0       2.3

Assign. Shift(ppm) A 13. B 2.834 C 2.55 to 2.48 D 2.38 to 2.34 E *1 1.72 F *1 1.42 G 1.28 J 1.24 K 0.856 J(B,E)=10.7HZ J(B,F)=2.8HZ ASSIGNED BY H-H AND C-H COSY.

     Hz     ppm     Int.

   1140.00   2.853     55
   1137.23   2.846     63
   1129.32   2.826     66
   1126.11   2.818     62
   1018.63   2.549     37
   1017.35   2.546     30
   1008.80   2.525     90
    995.34   2.491     76
    990.64   2.479     63
    951.54   2.381     63
    948.33   2.373     67
    946.83   2.370     72
    942.56   2.359     51
    939.14   2.350     81
    929.31   2.326     34
    517.12   1.294     83
    510.06   1.277    121
    495.11   1.239   1000
    349.16   0.874    126
    342.54   0.858    427
    335.48   0.840    153