498-24-8

Mesaconic acid(498-24-8) IR2

Product NameMesaconic acid

CAS 498-24-8

Molecular FormulaC5H6O4

Molecular Weight130.1

InChIInChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+

InChIKey HNEGQIOMVPPMNR-NSCUHMNNSA-N

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

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Mesaconic acid(498-24-8) IR2
Mass

MS-NW-1805          
mesaconic acid
C5H6O4              (Mass of molecular ion:    130)

   Source Temperature: 190 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      15.0       3.5
      17.0       2.3
      18.0      10.8
      19.0       1.1
      25.0       1.3
      26.0       3.0
      27.0       6.8
      28.0       5.5
      29.0       9.0
      31.0       3.7
      36.0       2.6
      37.0       9.2
      38.0      17.3
      39.0     100.0
      40.0      40.8
      41.0      33.0
      42.0       6.9
      43.0      30.1
      44.0       3.2
      45.0      31.1
      46.0       1.5
      53.0       4.7
      55.0       5.6
      56.0       4.4
      57.0       3.4
      66.0       3.7
      67.0      16.6
      68.0       8.5
      69.0       9.3
      71.0       1.3
      77.0       1.6
      83.0       1.0
      84.0      81.2
      85.0      11.7
      86.0       1.4
     112.0      96.6
     113.0       9.4