1,4,7,10,13,16-六氮杂环十八烷三硫酸盐(56187-09-8)质谱(MS)
分子式:C12H36N6O12S3
分子量: 552.64
InChI:InChI=1S/C12H30N6.3H2O4S/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;3*1-5(2,3)4/h13-18H,1-12H2;3*(H2,1,2,3,4)
InChIKey: UXVDKNLOZWKLJC-UHFFFAOYSA-N
Smiles:S(=O)(=O)(O)O.S(=O)(=O)(O)O.S(=O)(=O)(O)O.C1NCCNCCNCCNCCNCCNC1
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Mass
MS-NW-6544
1,4,7,10,13,16-hexaazacyclooctadecane trisulfate
C12H30N6 3H2O4S (Mass of molecular ion: 258)
Source Temperature: 230 °C
Sample Temperature: 270 °C
Direct, 75 eV
20.0 1.2
24.0 1.1
25.0 1.7
26.0 11.6
27.0 17.4
28.0 35.7
29.0 8.7
30.0 29.9
31.0 1.1
32.0 39.1
33.0 26.4
34.0 75.2
35.0 2.1
36.0 4.3
37.0 1.0
38.0 3.7
39.0 6.6
40.0 11.3
41.0 19.1
42.0 27.9
43.0 11.7
44.0 26.6
45.0 10.0
46.0 3.4
47.0 1.3
48.0 51.7
50.0 2.7
51.0 5.7
52.0 13.5
53.0 12.7
54.0 10.3
55.0 16.2
56.0 40.0
57.0 8.3
58.0 10.4
59.0 19.0
60.0 9.1
61.0 1.6
62.0 1.0
64.0 100.0
65.0 3.6
66.0 5.9
67.0 5.4
68.0 17.5
69.0 7.0
70.0 10.8
71.0 5.4
72.0 9.8
73.0 7.4
74.0 1.9
75.0 1.5
76.0 15.9
77.0 2.2
78.0 3.1
79.0 7.7
80.0 13.1
81.0 8.1
82.0 6.7
83.0 8.8
84.0 13.0
85.0 12.8
86.0 4.7
87.0 7.4
88.0 1.4
91.0 1.3
92.0 1.9
93.0 6.3
94.0 5.4
95.0 6.2
96.0 3.2
97.0 6.7
98.0 3.4
99.0 15.0
100.0 5.9
101.0 4.9
102.0 21.0
103.0 7.1
104.0 2.9
105.0 3.2
106.0 7.6
107.0 9.5
108.0 4.6
109.0 4.4
110.0 7.4
111.0 11.8
112.0 11.1
113.0 4.1
114.0 1.1
115.0 4.5
116.0 2.9
117.0 1.5
118.0 2.0
119.0 5.2
120.0 4.3
121.0 2.8
122.0 4.1
123.0 1.7
124.0 5.7
125.0 3.7
126.0 6.1
127.0 14.3
128.0 22.6
129.0 10.7
130.0 3.8
131.0 2.1
132.0 3.9
133.0 4.3
134.0 6.2
135.0 6.4
136.0 6.1
137.0 3.8
138.0 5.0
139.0 2.8
140.0 1.2
141.0 1.3
142.0 1.9
143.0 1.2
144.0 1.1
145.0 1.5
146.0 1.8
147.0 2.1
148.0 1.4
149.0 4.1
150.0 1.9
151.0 5.6
152.0 3.4
153.0 5.0
154.0 2.2
155.0 1.3
158.0 2.8
159.0 11.9
160.0 25.7
161.0 10.7
162.0 10.1
163.0 2.3
164.0 2.0
165.0 1.3
166.0 1.5
167.0 2.9
168.0 1.7
169.0 1.8
170.0 2.3
171.0 2.5
172.0 1.0
173.0 1.6
174.0 1.2
175.0 1.3
176.0 1.8
177.0 1.9
178.0 1.9
179.0 1.7
185.0 1.8
186.0 1.1
187.0 1.9
188.0 1.8
189.0 1.0
190.0 1.5
192.0 1.3
194.0 1.5
196.0 1.5
197.0 1.1
202.0 1.4
203.0 1.6
209.0 1.1
210.0 1.2
211.0 1.3
212.0 1.5
213.0 1.1
214.0 2.0
227.0 1.0
228.0 1.3
230.0 5.8
231.0 1.3
234.0 1.0
239.0 1.0
242.0 1.0