右旋奎寧酸(77-95-2)質(zhì)譜(MS)
InChI:InChI=1/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7+/s3
InChIKey: AAWZDTNXLSGCEK-VTBOMJOVNA-N
Smiles:C([C@]1(C[C@@H](O)[C@H](O)[C@H](O)C1)O)(=O)O |&1:1,3,5,7,r|
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Mass
MS-NW-9188
quinic acid
C7H12O6 (Mass of molecular ion: 192)
Source Temperature: 200 °C
Sample Temperature: 90 °C
Direct, 75 eV
15.0 4.1
17.0 2.0
18.0 12.0
19.0 5.9
27.0 9.1
28.0 6.8
29.0 15.6
30.0 1.2
31.0 10.6
39.0 7.7
40.0 2.8
41.0 22.3
42.0 8.7
43.0 88.2
44.0 19.6
45.0 9.4
47.0 2.8
53.0 6.2
54.0 1.7
55.0 22.8
56.0 4.7
57.0 54.4
58.0 13.7
59.0 4.3
60.0 100.0
61.0 6.2
62.0 1.0
65.0 2.1
66.0 1.3
67.0 3.2
68.0 2.8
69.0 55.2
70.0 11.4
71.0 35.0
72.0 2.9
73.0 12.6
74.0 2.8
81.0 3.1
82.0 3.6
83.0 18.9
84.0 9.7
85.0 22.0
86.0 8.7
87.0 22.6
88.0 1.5
89.0 24.1
90.0 1.2
93.0 1.0
94.0 1.4
95.0 1.6
97.0 15.2
98.0 1.1
99.0 1.7
100.0 38.2
101.0 2.8
102.0 2.8
109.0 1.9
110.0 7.1
111.0 82.5
112.0 17.2
113.0 13.0
114.0 1.9
115.0 9.2
117.0 1.9
118.0 57.1
119.0 2.7
120.0 1.4
127.0 3.6
128.0 9.7
129.0 29.4
130.0 7.8
138.0 6.7
139.0 1.2
147.0 39.0
148.0 9.4
156.0 12.0
157.0 1.8
174.0 1.8
193.0 2.6