110-44-1

Sorbic acid(110-44-1) MS

Product NameSorbic acid

CAS 110-44-1

Molecular FormulaC6H8O2

Molecular Weight112.13

InChIInChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+

InChIKey WSWCOQWTEOXDQX-MQQKCMAXSA-N

SmilesC(O)(=O)/C=C/C=C/C

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Sorbic acid(110-44-1) MS
Mass

MS-NW-9066          
trans,trans-2,4-hexadienoic acid
C6H8O2              (Mass of molecular ion:    112)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       2.1
      27.0       9.1
      28.0       3.9
      29.0       3.3
      31.0       2.5
      32.0       1.1
      32.5       1.2
      37.0       2.2
      38.0       5.3
      39.0      34.1
      40.0       9.3
      41.0      44.7
      42.0       5.2
      43.0      14.1
      44.0       1.3
      45.0       5.7
      47.0       1.1
      50.0       2.8
      51.0       4.8
      52.0       1.7
      53.0       5.6
      55.0      13.5
      56.0       3.1
      57.0       1.9
      58.0       2.7
      61.0       1.3
      62.0       2.1
      63.0       3.5
      64.0       1.0
      65.0      14.4
      66.0      20.1
      67.0      64.1
      68.0       5.5
      69.0      15.4
      70.0       2.4
      71.0       1.4
      79.0       2.8
      83.0       4.4
      84.0       5.0
      93.0       1.5
      94.0       1.9
      95.0       7.0
      97.0     100.0
      98.0       5.6
     111.0       8.3
     112.0      77.7
     113.0       5.5