Mesaconic acid(498-24-8) IR2
Product NameMesaconic acid
CAS498-24-8
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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MassMS-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
KBr disc
nujol mull
