Coumalic acid(500-05-0) IR2
Molecular FormulaC6H4O4
Molecular Weight140.09
InChIInChI=1S/C6H4O4/c7-5-2-1-4(3-10-5)6(8)9/h1-3H,(H,8,9)
InChIKey ORGPJDKNYMVLFL-UHFFFAOYSA-N
SmilesC1(=O)OC=C(C(O)=O)C=C1
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Mass
MS-NW-1641
2-pyrone-5-carboxylic acid
C6H4O4 (Mass of molecular ion: 140)
Source Temperature: 200 °C
Sample Temperature: 130 °C
Direct, 75 eV
18.0 4.0
25.0 2.0
26.0 4.0
27.0 3.9
28.0 3.8
29.0 14.6
31.0 1.1
33.0 3.2
36.0 3.1
37.0 18.3
38.0 39.0
39.0 67.6
40.0 11.8
41.0 2.9
42.0 16.1
43.0 3.1
44.0 6.1
45.0 11.7
49.0 3.4
50.0 6.2
51.0 2.2
53.0 10.2
54.0 1.4
55.0 14.7
56.0 5.1
65.0 2.5
66.0 23.6
67.0 7.3
68.0 5.3
69.0 3.3
71.0 3.3
83.0 2.6
84.0 66.2
85.0 3.2
86.0 1.6
93.0 1.6
94.0 37.9
95.0 25.2
96.0 2.1
111.0 3.2
112.0 100.0
113.0 5.8
122.0 3.8
123.0 9.4
139.0 2.0
140.0 62.2
141.0 4.1