间甲酚紫(2303-01-7)质谱(MS)
分子式:C21H18O5S
分子量: 382.43
InChI:InChI=1S/C21H18O5S/c1-13-11-15(22)7-9-17(13)21(18-10-8-16(23)12-14(18)2)19-5-3-4-6-20(19)27(24,25)26-21/h3-12,22-23H,1-2H3
InChIKey: OLQIKGSZDTXODA-UHFFFAOYSA-N
Smiles:S1(=O)(=O)C2=CC=CC=C2C(C2=CC=C(O)C=C2C)(C2=CC=C(O)C=C2C)O1
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Mass
MS-NW-1908
m-cresol purple
C21H18O5S (Mass of molecular ion: 382)
Source Temperature: 240 °C
Sample Temperature: 290 °C
Direct, 75 eV
15.0 1.6
16.0 1.1
17.0 6.2
18.0 26.8
20.0 1.3
26.0 1.1
27.0 7.5
28.0 12.9
29.0 2.3
32.0 3.1
37.0 1.1
38.0 2.7
39.0 14.6
40.0 2.1
41.0 5.3
42.0 1.0
43.0 4.1
44.0 6.1
48.0 24.7
50.0 5.0
51.0 10.7
52.0 4.2
53.0 5.9
54.0 2.2
55.0 8.7
56.0 1.0
57.0 2.1
62.0 2.7
63.0 7.7
64.0 49.0
65.0 3.9
66.0 2.5
67.0 2.4
68.0 1.2
69.0 3.2
71.0 1.1
74.0 2.9
75.0 4.4
76.0 4.8
77.0 21.5
78.0 5.4
79.0 14.1
80.0 6.4
81.0 2.2
81.5 1.3
82.0 1.8
82.5 1.2
83.0 1.7
84.0 1.1
86.0 1.4
87.0 3.3
88.0 4.7
89.0 5.1
90.0 5.2
91.0 6.0
92.0 1.1
93.0 1.2
93.5 2.2
94.0 2.8
94.5 5.4
95.0 2.4
97.0 1.2
98.0 1.6
99.0 1.7
100.0 5.1
100.5 2.2
101.0 11.8
101.5 2.3
102.0 2.1
103.0 1.5
104.0 1.8
105.0 3.0
105.5 1.3
106.0 2.5
106.5 6.5
107.0 45.2
107.5 4.3
108.0 45.6
109.0 5.9
110.0 1.1
111.0 1.2
112.0 3.6
112.5 2.7
113.0 15.9
113.5 4.7
114.0 5.1
114.5 1.7
115.0 6.6
115.5 3.8
116.0 2.9
117.0 1.0
118.0 1.4
118.5 4.4
119.0 7.8
119.5 12.5
120.0 6.5
120.5 1.7
121.0 7.7
121.5 1.6
122.0 7.2
122.5 1.9
123.0 3.2
125.0 3.6
125.5 1.7
126.0 6.7
126.5 1.6
127.0 4.4
127.5 5.2
128.0 8.3
128.5 3.4
129.0 4.6
129.5 1.8
131.0 1.9
132.0 1.1
133.0 1.4
133.5 1.1
134.0 6.1
134.5 3.1
135.0 13.8
135.5 1.4
136.0 4.9
136.5 1.1
137.0 1.8
139.0 4.7
140.0 1.4
141.0 3.6
142.0 4.0
142.5 4.1
143.0 3.6
143.5 2.6
144.0 1.5
145.0 1.1
149.0 1.7
150.0 5.7
150.5 1.1
151.0 9.2
151.5 1.3
152.0 11.5
153.0 4.4
154.0 1.1
155.0 2.0
157.0 1.1
162.0 1.0
163.0 4.5
164.0 3.4
165.0 26.4
166.0 11.6
167.0 5.2
168.0 2.1
169.0 1.0
174.0 1.4
175.0 1.5
176.0 4.0
177.0 3.6
178.0 3.8
179.0 2.1
181.0 11.5
182.0 7.2
183.0 1.9
187.0 3.0
188.0 2.1
189.0 9.2
190.0 3.1
191.0 1.9
193.0 1.6
194.0 28.2
195.0 43.4
196.0 9.2
197.0 3.5
198.0 1.3
199.0 1.2
200.0 5.1
201.0 4.3
202.0 15.1
203.0 5.9
204.0 1.4
205.0 1.5
207.0 1.0
208.0 1.0
209.0 1.4
210.0 6.0
211.0 4.9
212.0 1.7
213.0 7.3
214.0 3.1
215.0 13.8
216.0 4.9
217.0 2.1
218.0 4.7
219.0 3.2
220.0 1.0
224.0 3.3
225.0 7.0
226.0 16.9
227.0 11.3
228.0 10.2
229.0 8.9
230.0 2.9
231.0 13.2
232.0 6.0
233.0 3.6
234.0 1.3
237.0 2.9
238.0 2.0
239.0 18.8
240.0 8.0
241.0 7.2
242.0 6.3
243.0 5.6
244.0 12.5
245.0 9.5
246.0 3.4
247.0 1.7
248.0 1.0
250.0 2.2
251.0 1.9
252.0 4.8
253.0 4.3
254.0 2.1
255.0 17.3
256.0 11.2
257.0 28.2
258.0 14.1
259.0 19.1
260.0 4.7
261.0 3.6
266.0 1.0
267.0 1.7
268.0 7.4
269.0 9.8
270.0 5.2
271.0 15.3
272.0 42.7
273.0 16.2
274.0 9.4
275.0 6.6
276.0 4.0
277.0 1.2
281.0 1.8
282.0 1.7
283.0 3.6
284.0 7.4
285.0 18.4
286.0 13.3
287.0 98.8
288.0 22.7
289.0 3.8
297.0 1.8
298.0 6.0
299.0 9.8
300.0 84.8
301.0 43.3
302.0 100.0
303.0 29.1
304.0 4.6
314.0 1.4
315.0 1.1
316.0 2.4
317.0 1.9
318.0 1.3
367.0 8.1
368.0 2.1
369.0 1.0
380.0 1.3
381.0 1.0
382.0 10.2
383.0 2.6
384.0 1.4