3-甲基戊二酸(626-51-7)核磁圖(13CNMR)
InChI:InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKey: XJMMNTGIMDZPMU-UHFFFAOYSA-N
Smiles:C(O)(=O)CC(C)CC(O)=O
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Mass
MS-NW-2262
3-methylglutaric acid
C6H10O4 (Mass of molecular ion: 146)
Source Temperature: 130 °C
Sample Temperature: 110 °C
Direct, 75 eV
14.0 1.6
15.0 4.0
17.0 3.2
18.0 15.9
26.0 2.4
27.0 24.3
28.0 5.6
29.0 17.4
31.0 6.6
37.0 1.4
38.0 3.4
39.0 28.6
40.0 5.6
41.0 63.4
42.0 48.8
43.0 48.7
44.0 2.2
45.0 31.2
50.0 1.4
51.0 1.4
53.0 3.5
54.0 5.7
55.0 17.2
56.0 20.9
57.0 11.1
58.0 9.5
59.0 12.9
60.0 55.9
61.0 1.9
68.0 2.8
69.0 84.3
70.0 3.8
71.0 4.5
72.0 41.4
73.0 2.1
82.0 7.1
83.0 3.0
84.0 5.0
85.0 9.5
86.0 2.2
87.0 60.7
88.0 2.6
89.0 1.0
95.0 1.0
99.0 2.2
100.0 100.0
101.0 7.0
102.0 1.4
113.0 5.0
127.0 1.0
128.0 19.3
129.0 4.8