繞丹寧-3-丙酸(7025-19-6)質(zhì)譜(MS)
分子式:C6H7NO3S2
分子量: 205.25
InChI:InChI=1S/C6H7NO3S2/c8-4-3-12-6(11)7(4)2-1-5(9)10/h1-3H2,(H,9,10)
InChIKey: SWAHCTPCIUXXTQ-UHFFFAOYSA-N
Smiles:S1CC(=O)N(CCC(O)=O)C1=S
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Mass
MS-NW-1648
4-oxo-2-thioxo-3-thiazolidinepropionic acid
C6H7NO3S2 (Mass of molecular ion: 205)
Source Temperature: 200 °C
Sample Temperature: 160 °C
Direct, 75 eV
14.0 2.7
15.0 3.4
18.0 3.5
26.0 3.9
27.0 20.6
28.0 9.5
29.0 8.6
30.0 1.3
31.0 1.9
32.0 2.3
40.0 1.5
41.0 2.5
42.0 11.0
43.0 11.0
44.0 3.0
45.0 24.3
46.0 36.4
47.0 4.8
48.0 1.6
54.0 1.6
55.0 20.5
56.0 5.0
57.0 1.1
58.0 3.5
59.0 10.1
60.0 17.7
61.0 1.1
64.0 9.0
70.0 1.8
71.0 21.0
72.0 19.3
73.0 15.3
74.0 10.5
75.0 5.7
76.0 4.5
77.0 2.7
78.0 2.7
83.0 1.1
84.0 1.0
85.0 21.8
86.0 19.9
87.0 12.4
88.0 11.3
90.0 2.3
91.0 2.3
98.0 5.1
100.0 1.0
101.0 4.7
103.0 1.7
104.0 1.9
105.0 1.0
112.0 2.3
114.0 14.6
115.0 1.0
117.0 2.1
118.0 6.1
119.0 1.3
129.0 1.9
130.0 16.7
131.0 4.2
132.0 7.2
133.0 10.0
134.0 1.6
143.0 1.4
145.0 1.5
158.0 1.7
159.0 8.6
160.0 5.8
161.0 1.4
163.0 35.4
164.0 2.4
165.0 3.4
172.0 2.4
177.0 3.8
188.0 2.0
205.0 100.0
206.0 8.8
207.0 9.6
217.0 1.5