二苯甲酰硫胺素(299-88-7)質(zhì)譜(MS)
分子式:C26H26N4O4S
分子量: 490.58
InChI:InChI=1S/C26H26N4O4S/c1-18(30(17-31)16-22-15-28-19(2)29-24(22)27)23(35-26(33)21-11-7-4-8-12-21)13-14-34-25(32)20-9-5-3-6-10-20/h3-12,15,17H,13-14,16H2,1-2H3,(H2,27,28,29)
InChIKey: AZJUFRDUYTYIHV-UHFFFAOYSA-N
Smiles:C(C1=CN=C(C)N=C1N)N(C=O)C(C)=C(CCOC(C1C=CC=CC=1)=O)SC(C1C=CC=CC=1)=O
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Mass
MS-NW-2447
dibenzoylthiamine
C26H26N4O4S (Mass of molecular ion: 490)
Source Temperature: 270 °C
Sample Temperature: 180 °C
Direct, 75 eV
17.0 1.8
18.0 9.0
27.0 2.6
28.0 2.3
38.0 1.6
39.0 6.3
40.0 1.0
41.0 1.5
42.0 6.5
45.0 4.0
50.0 5.4
51.0 14.3
52.0 3.1
53.0 2.4
54.0 2.6
58.0 4.3
59.0 1.9
65.0 1.9
66.0 1.0
71.0 1.6
74.0 1.7
75.0 1.3
76.0 2.6
77.0 49.7
78.0 5.3
80.0 2.4
81.0 4.4
85.0 1.4
92.0 1.0
94.0 1.6
97.0 4.8
98.0 6.5
99.0 1.0
105.0 100.0
106.0 7.9
112.0 1.6
121.0 1.8
122.0 40.8
123.0 4.3
124.0 3.5
125.0 66.2
126.0 6.1
127.0 3.4
138.0 5.4
201.0 3.6
224.0 1.5
225.0 5.1
226.0 2.3
227.0 1.1
229.0 1.6
231.0 3.9
242.0 1.1
243.0 1.5