苏丹黑B(4197-25-5)红外图谱(IR2)
InChI:InChI=1S/C29H24N6/c1-29(2)30-26-14-8-13-22-25(17-18-27(31-29)28(22)26)35-34-24-16-15-23(20-11-6-7-12-21(20)24)33-32-19-9-4-3-5-10-19/h3-18,30-31H,1-2H3
InChIKey: YCUVUDODLRLVIC-UHFFFAOYSA-N
Smiles:N1C2C3C(C=CC=2)=C(N=NC2=C4C(C=CC=C4)=C(N=NC4=CC=CC=C4)C=C2)C=CC=3NC1(C)C
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Mass
MS-NW-6645
sudan black B
C29H24N6 (Mass of molecular ion: 456)
Source Temperature: 250 °C
Sample Temperature: 200 °C
Direct, 75 eV
15.0 1.2
18.0 2.5
27.0 2.4
28.0 12.1
38.0 1.9
39.0 7.9
40.0 1.3
41.0 2.8
42.0 3.4
50.0 4.2
51.0 12.5
52.0 4.4
53.0 1.0
54.0 1.2
62.0 2.2
63.0 5.6
64.0 2.7
65.0 6.2
66.0 5.6
74.0 2.6
75.0 4.6
76.0 4.4
77.0 30.8
78.0 5.6
79.0 1.2
84.5 2.7
85.0 1.2
87.0 1.8
88.0 2.8
89.0 5.5
90.0 1.8
90.5 1.0
91.0 3.1
91.5 1.3
92.0 2.9
93.0 16.0
94.0 1.3
97.5 1.1
98.0 2.0
98.5 2.7
99.0 3.7
100.0 2.1
101.0 4.3
102.0 4.3
103.0 3.2
104.0 1.4
105.0 2.3
106.0 1.7
107.0 1.3
113.0 4.8
114.0 8.0
115.0 35.8
116.0 13.4
117.0 2.3
123.5 1.8
126.0 4.8
127.0 10.0
128.0 7.0
129.0 3.5
130.0 3.9
131.0 1.2
139.0 2.3
140.0 14.1
141.0 6.7
142.0 100.0
143.0 14.0
144.0 1.6
152.0 1.6
153.0 3.1
154.0 5.0
155.0 6.9
156.0 4.2
157.0 4.1
158.0 2.5
165.0 1.2
166.0 1.6
167.0 3.1
168.0 5.8
169.0 7.1
170.0 9.9
171.0 1.6
179.0 1.1
180.0 4.3
181.0 12.7
182.0 29.0
183.0 10.5
184.0 1.7
189.0 1.4
191.0 1.0
194.0 5.2
195.0 13.1
196.0 52.4
197.0 28.0
198.0 24.1
199.0 3.8
201.0 1.0
202.0 2.2
203.0 1.4
204.0 1.1
206.0 1.0
207.0 1.2
208.0 1.3
209.0 1.2
210.0 3.6
211.0 4.9
212.0 1.9
213.0 12.3
214.0 2.6
216.0 1.4
217.0 3.5
218.0 4.1
219.0 3.7
219.5 1.1
220.0 1.9
221.0 1.0
228.0 1.7
231.0 3.2
232.0 3.8
233.0 1.9
234.0 7.6
235.0 1.7
236.0 1.0
238.0 3.2
239.0 1.4
244.0 1.2
245.0 2.5
246.0 10.0
247.0 53.0
248.0 10.7
249.0 1.4
253.0 2.0
261.0 1.0
264.0 1.1
265.0 1.2
266.0 1.8
267.0 1.5
272.0 1.0
279.0 1.0
293.0 1.0
294.0 1.0
295.0 1.1
305.0 1.2
306.0 3.0
307.0 5.3
308.0 6.7
309.0 2.4
310.0 1.4
319.0 1.0
320.0 2.5
321.0 2.9
322.0 2.1
323.0 2.8
324.0 2.0
333.0 1.3
334.0 2.4
335.0 3.3
336.0 5.4
337.0 4.7
338.0 1.3
348.0 1.0
349.0 2.4
350.0 2.2
351.0 3.6
352.0 7.5
353.0 2.0
365.0 1.8
366.0 1.1
367.0 7.2
368.0 2.0
374.0 1.0
392.0 1.0
400.0 1.3
411.0 1.2
412.0 2.7
413.0 17.1
414.0 6.0
415.0 2.1
426.0 1.3
427.0 2.3
428.0 10.9
429.0 4.0
430.0 1.7
439.0 1.9
440.0 3.3
441.0 23.2
442.0 8.0
443.0 2.1
454.0 2.1
455.0 2.8
456.0 37.0
457.0 12.9
458.0 2.5