Zinc gluconate(4468-02-4) MS
Molecular FormulaC12H22O14Zn
Molecular Weight455.68
InChIInChI=1/2C6H12O7.Zn/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/s3
InChIKey WHMDKBIGKVEYHS-ATBKJFGMNA-L
Smiles[C@H](O)([C@H](O)[C@H](O)CO)[C@@H](O)C(=O)O[Zn]OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO |&1:0,2,4,8,17,19,21,23,r|
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Mass
MS2001-00901WA
gluconic acid zinc(II) salt hydrate
C12H22O14Zn 3H2O (Mass of molecular ion: 454)
Source Temperature: 230 °C
Sample Temperature: 115 °C
Direct, 70 eV
14.0 1.3
15.0 8.5
16.0 1.0
17.0 3.8
18.0 12.5
19.0 7.4
26.0 4.1
27.0 14.0
28.0 4.2
29.0 37.8
30.0 9.4
31.0 45.9
32.0 1.5
37.0 1.4
38.0 2.8
39.0 11.7
40.0 2.6
41.0 9.1
42.0 28.2
43.0 52.7
44.0 23.2
45.0 20.6
47.0 3.1
50.0 1.5
51.0 1.8
52.0 1.1
53.0 2.8
54.0 5.8
55.0 22.1
56.0 8.8
57.0 25.6
58.0 11.6
59.0 4.0
60.0 52.3
61.0 74.1
62.0 2.5
63.0 1.2
68.0 3.3
69.0 11.3
70.0 6.0
71.0 42.3
72.0 25.4
73.0 100.0
74.0 9.1
75.0 1.5
76.0 14.0
77.0 1.0
81.0 1.9
83.0 5.2
84.0 4.8
85.0 40.5
86.0 8.8
87.0 2.4
89.0 6.3
90.0 2.4
91.0 6.1
96.0 3.1
97.0 7.3
98.0 4.8
99.0 1.5
100.0 16.2
101.0 5.2
102.0 1.3
103.0 21.7
104.0 1.3
112.0 2.9
113.0 1.3
114.0 5.9
115.0 1.1
118.0 6.1
119.0 7.5
125.0 10.1
126.0 1.1
132.0 1.2
140.0 12.0
141.0 1.2
142.0 7.8
147.0 8.3
160.0 20.3
161.0 2.0