鹽酸硫胺(67-03-8)質(zhì)譜(MS)
分子式:C12H17N4OS.ClH.Cl
分子量: 337.27
InChI:InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1
InChIKey: DPJRMOMPQZCRJU-UHFFFAOYSA-M
Smiles:S1C(CCO)=C(C)[N+](CC2=CN=C(C)N=C2N)=C1.[Cl-].[H]Cl
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Mass
MS-IW-3292
thiamin hydrochloride
C12H17ClN4OS HCl (Mass of molecular ion: 300)
Source Temperature: 190 °C
Sample Temperature: 160 °C
Direct, 75 eV
18.0 3.2
26.0 1.2
27.0 4.4
28.0 5.0
29.0 1.5
31.0 4.6
35.0 5.6
36.0 37.6
37.0 1.9
38.0 12.9
39.0 9.8
40.0 1.6
41.0 5.6
42.0 14.9
43.0 3.7
45.0 16.8
47.0 1.4
50.0 1.2
51.0 3.5
52.0 6.8
53.0 11.2
54.0 6.0
55.0 4.5
58.0 3.3
59.0 6.8
64.0 1.1
65.0 1.7
66.0 1.6
67.0 1.2
68.0 2.5
69.0 2.8
70.0 1.5
71.0 6.1
72.0 4.1
73.0 2.2
78.0 1.3
79.0 3.0
80.0 5.7
81.0 10.7
82.0 1.2
83.0 1.5
84.0 1.3
85.0 26.0
86.0 4.4
87.0 2.4
88.0 5.3
97.0 1.2
98.0 1.9
99.0 1.5
100.0 2.3
105.0 1.1
106.0 2.3
107.0 4.3
110.0 1.3
111.0 1.1
112.0 100.0
113.0 36.7
114.0 7.1
115.0 2.2
116.0 2.4
117.0 1.6
121.0 2.3
122.0 50.0
123.0 10.5
124.0 1.8
125.0 1.5
126.0 1.8
133.0 1.3
134.0 3.5
142.0 1.7
143.0 38.4
144.0 5.1
145.0 2.1
146.0 1.4
147.0 10.5
148.0 5.6
149.0 6.8
157.0 4.7
159.0 1.9
175.0 1.7
192.0 1.2
199.0 1.6
200.0 2.5
201.0 1.3
216.0 1.5
219.0 3.2
231.0 3.9
232.0 1.3
233.0 32.4
234.0 5.9
235.0 2.4
242.0 1.1
247.0 2.4
249.0 2.0
263.0 13.5
264.0 40.3
265.0 6.8
266.0 2.4