5-THIO-D-GLUCOSE(20408-97-3) MS
Molecular FormulaC6H12O5S
Molecular Weight196.22
InChIInChI=1S/C6H12O5S/c7-1-3(9)5(10)6(11)4(12)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1
InChIKey IJJLRUSZMLMXCN-SLPGGIOYSA-N
SmilesO=C[C@@H]([C@H]([C@@H]([C@@H](CO)S)O)O)O
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Mass
MS-NW-6965
5-thio-D-glucose
C6H12O5S (Mass of molecular ion: 196)
Source Temperature: 200 °C
Sample Temperature: 170 °C
Direct, 75 eV
14.0 1.7
15.0 7.7
17.0 1.8
18.0 8.4
19.0 9.0
26.0 2.1
27.0 11.6
28.0 5.5
29.0 21.7
30.0 3.8
31.0 27.0
32.0 2.3
34.0 1.8
35.0 2.5
39.0 4.5
41.0 8.2
42.0 10.9
43.0 19.4
44.0 4.4
45.0 14.9
46.0 2.7
47.0 11.3
48.0 2.6
53.0 1.5
54.0 2.2
55.0 9.5
56.0 8.6
57.0 31.7
58.0 5.1
59.0 24.1
60.0 60.6
61.0 19.2
62.0 2.1
63.0 3.6
68.0 1.3
69.0 7.5
70.0 4.9
71.0 17.3
72.0 6.2
73.0 100.0
74.0 9.3
75.0 4.2
76.0 6.8
77.0 9.9
78.0 1.0
81.0 1.1
83.0 1.5
84.0 2.7
85.0 8.1
86.0 2.6
87.0 9.4
88.0 7.9
89.0 19.4
90.0 4.8
91.0 4.8
97.0 3.5
98.0 7.2
99.0 5.3
100.0 1.5
101.0 16.3
102.0 7.1
103.0 2.5
104.0 3.6
105.0 3.8
107.0 2.7
113.0 2.3
114.0 1.4
116.0 5.3
117.0 1.5
118.0 1.4
119.0 9.4
127.0 4.2
128.0 3.2
129.0 7.0
130.0 2.9
131.0 4.0
132.0 2.3
145.0 1.1
147.0 10.1
148.0 1.3
149.0 1.2
160.0 5.6
165.0 1.5
178.0 5.2