2,5-Dimethylbenzenesulfonic acid dihydrate(609-54-1) MS
Molecular FormulaC8H10O3S
Molecular Weight186.23
InChIInChI=1S/C8H10O3S/c1-6-3-4-7(2)8(5-6)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)
InChIKey IRLYGRLEBKCYPY-UHFFFAOYSA-N
SmilesC1(S(O)(=O)=O)=CC(C)=CC=C1C
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Mass
MS-NW-4615
p-xylene-2-sulfonic acid
C8H10O3S 2H2O (Mass of molecular ion: 186)
Source Temperature: 180 °C
Sample Temperature: 140 °C
Direct, 75 eV
17.0 1.0
18.0 5.1
27.0 4.2
28.0 1.2
39.0 6.1
41.0 1.1
50.0 2.6
51.0 7.6
52.0 2.3
53.0 3.2
62.0 1.2
63.0 3.8
65.0 3.3
77.0 17.4
78.0 18.8
79.0 9.0
89.0 1.6
91.0 3.3
102.0 1.8
103.0 21.4
104.0 100.0
105.0 26.9
106.0 2.4
107.0 1.2
120.0 1.2
121.0 1.6
186.0 34.0
187.0 3.4
188.0 1.8