(S)-2-CHLORO-4-METHYL-N-VALERIC ACID(28659-81-6) IR1
Molecular FormulaC6H11ClO2
Molecular Weight150.6
InChIInChI=1S/C6H11ClO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKey CBQBIPRPIHIKPW-YFKPBYRVSA-N
SmilesC(O)(=O)[C@@H](Cl)CC(C)C
-
Mass
MS-IW-7542
(S)-2-chloro-4-methylvaleric acid
C6H11ClO2 (Mass of molecular ion: 150)
Source Temperature: 220 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
15.0 1.4
18.0 2.4
26.0 2.6
27.0 26.5
28.0 8.4
29.0 20.5
31.0 1.3
35.0 1.9
36.0 18.6
37.0 1.2
38.0 6.3
39.0 20.7
40.0 4.2
41.0 60.4
42.0 16.3
43.0 78.8
44.0 13.6
45.0 10.1
50.0 2.2
51.0 3.8
52.0 1.4
53.0 14.8
54.0 2.4
55.0 39.0
56.0 10.6
57.0 100.0
58.0 9.1
59.0 17.2
60.0 1.9
61.0 1.0
62.0 1.8
63.0 1.8
65.0 1.6
67.0 6.5
68.0 4.3
69.0 30.9
70.0 8.1
71.0 9.7
72.0 1.8
73.0 82.8
74.0 3.2
75.0 1.4
76.0 2.9
78.0 1.0
81.0 7.2
87.0 11.4
88.0 1.5
89.0 3.4
91.0 1.3
94.0 43.7
95.0 2.5
96.0 14.9
97.0 3.3
98.0 1.1
99.0 26.0
100.0 1.6
107.0 3.4
108.0 3.4
109.0 1.6
110.0 1.1
113.0 2.3
114.0 7.1
115.0 20.0
116.0 1.4
135.0 1.0