溴甲酚绿(76-60-8)质谱(MS)
分子式:C21H14Br4O5S
分子量: 698.01
InChI:InChI=1S/C21H14Br4O5S/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21/h3-8,26-27H,1-2H3
InChIKey: FRPHFZCDPYBUAU-UHFFFAOYSA-N
Smiles:S1(=O)(=O)C2=CC=CC=C2C(C2=CC(Br)=C(O)C(Br)=C2C)(C2=CC(Br)=C(O)C(Br)=C2C)O1
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Mass
MS2012-04757CW
bromocresol green
C21H14Br4O5S (Mass of molecular ion: 694)
Source Temperature: 250 °C
Sample Temperature: 50 °C
Direct, 70 eV
15.0 1.0
16.0 1.8
17.0 14.3
18.0 64.2
27.0 2.1
28.0 18.1
29.0 2.8
31.0 1.2
32.0 4.3
36.0 1.2
39.0 3.9
40.0 1.4
41.0 5.3
42.0 1.3
43.0 9.4
44.0 28.4
45.0 2.2
48.0 6.5
50.0 2.8
51.0 5.3
52.0 1.0
53.0 3.3
55.0 5.7
56.0 2.2
57.0 7.7
60.0 2.9
61.0 1.0
62.0 1.0
63.0 2.9
64.0 13.4
65.0 1.5
67.0 6.0
68.0 1.2
69.0 4.7
70.0 2.5
71.0 4.8
72.0 1.3
73.0 3.3
74.0 2.4
75.0 7.8
76.0 9.3
77.0 11.4
78.0 2.5
79.0 31.5
80.0 78.0
81.0 31.4
82.0 75.0
83.0 3.8
84.0 1.3
85.0 3.0
86.0 1.3
87.0 3.4
88.0 2.5
89.0 1.9
91.0 1.9
93.0 1.8
93.5 2.8
94.5 1.9
95.0 1.1
96.0 1.3
97.0 3.4
98.0 1.6
99.0 3.5
100.0 6.2
101.0 4.7
102.0 1.5
103.0 1.3
104.0 4.1
105.0 7.6
106.0 3.8
106.5 10.3
107.5 2.0
109.0 1.7
110.0 1.3
111.0 2.9
112.0 12.6
113.0 16.2
113.5 3.7
115.0 3.2
116.0 1.0
118.0 5.2
118.5 17.2
119.5 22.6
121.0 5.7
122.0 1.7
123.0 1.6
124.0 3.4
125.0 11.8
126.0 7.5
126.5 1.2
127.0 2.7
127.5 7.7
129.0 3.0
131.0 1.6
133.0 5.3
134.0 18.3
134.5 12.5
135.5 3.3
137.0 4.0
138.0 2.4
139.0 4.9
140.0 3.1
141.0 2.8
142.0 5.0
143.0 4.6
143.5 1.2
147.0 1.0
148.0 6.7
149.0 18.7
150.0 8.8
151.0 10.2
152.0 18.3
153.0 13.7
154.0 1.7
155.0 3.8
156.0 3.6
157.0 12.0
157.5 3.3
159.0 1.0
160.0 1.0
161.0 2.3
162.0 2.9
163.0 14.8
164.0 10.6
165.0 10.8
166.0 1.7
166.5 1.8
167.0 1.9
167.5 1.6
169.0 1.2
172.0 1.0
173.0 2.5
174.0 6.1
175.0 4.5
176.0 4.5
177.0 1.5
178.0 1.0
179.0 2.0
180.0 3.6
181.0 17.1
182.0 5.8
183.0 2.6
184.0 3.2
185.0 3.8
186.0 3.4
187.0 8.5
188.0 9.4
189.0 11.8
189.5 2.5
190.0 1.1
192.0 1.5
193.0 1.4
194.0 1.8
195.0 1.5
196.0 1.7
196.5 6.2
197.5 6.2
199.0 3.8
200.0 11.4
201.0 6.2
202.0 7.1
203.0 2.2
205.0 1.2
207.0 2.4
208.0 1.3
209.0 6.1
210.0 3.3
211.0 7.1
212.0 4.4
213.0 14.2
214.0 4.5
215.0 4.7
216.0 1.6
218.0 1.6
219.0 1.0
220.0 1.4
221.0 2.1
222.0 2.9
223.0 3.9
224.0 18.1
225.0 12.3
226.0 24.1
227.0 7.6
228.0 1.6
228.5 1.6
229.0 2.0
229.5 1.6
230.0 1.7
231.0 2.3
232.0 1.1
233.0 1.1
235.0 4.1
236.0 3.9
237.0 22.0
238.0 11.8
239.0 36.4
240.0 12.5
241.0 5.4
242.0 5.2
243.0 3.5
244.0 2.1
245.0 2.7
246.0 1.5
248.0 2.0
249.0 1.5
250.0 5.8
251.0 3.4
252.0 4.1
253.0 6.2
254.0 4.2
255.0 17.8
256.0 6.8
257.0 3.2
258.0 1.7
259.0 5.1
260.0 3.0
261.0 5.1
262.0 2.8
263.0 2.4
264.0 2.1
265.0 4.2
266.0 3.8
267.0 4.8
268.0 20.4
269.0 22.2
270.0 8.6
271.0 4.9
272.0 4.2
273.0 2.7
274.0 4.0
275.0 2.4
279.0 3.6
280.0 1.6
281.0 6.1
282.0 2.7
283.0 3.0
284.0 6.0
285.0 4.4
286.0 1.8
287.0 10.6
288.0 9.6
289.0 12.6
290.0 9.9
291.0 6.4
292.0 3.4
293.0 9.5
294.0 3.2
295.0 5.0
296.0 2.7
297.0 9.7
298.0 13.8
299.0 4.9
300.0 3.0
301.0 1.2
304.0 2.5
305.0 1.6
306.0 2.6
307.5 2.9
308.5 8.6
309.5 8.9
310.5 3.5
311.0 2.3
312.0 1.0
313.0 1.5
314.0 1.2
317.0 1.9
318.0 1.3
319.0 1.9
320.0 2.1
321.0 1.5
322.0 2.3
323.0 1.6
324.0 1.5
325.0 1.2
331.0 1.6
332.0 2.0
333.0 11.3
334.0 5.0
335.0 11.1
336.0 4.8
337.0 3.4
338.0 1.9
339.0 3.0
341.0 1.5
346.0 5.1
347.0 8.7
348.0 9.6
349.0 11.4
350.0 7.8
351.0 7.3
352.0 6.0
353.0 9.0
354.0 4.4
355.0 5.3
356.0 1.2
359.0 2.3
360.0 2.6
361.0 4.0
362.0 19.1
363.0 7.8
364.0 18.3
365.0 6.9
366.0 3.9
367.0 3.3
368.0 5.7
369.0 5.3
370.0 4.0
371.0 3.3
372.0 1.1
373.0 1.1
375.0 7.5
376.0 15.3
377.0 13.8
378.0 20.0
379.0 10.6
380.0 7.2
381.0 4.4
382.0 2.0
383.0 1.3
384.0 2.1
385.0 1.2
386.0 1.4
387.0 1.4
389.0 1.7
391.0 1.3
392.0 1.5
393.0 1.3
394.0 1.6
395.0 1.2
397.0 1.2
398.0 1.0
399.0 1.3
400.0 1.2
401.0 1.4
402.0 1.1
403.0 1.5
405.0 1.0
411.0 2.3
412.0 1.5
413.0 4.5
414.0 2.6
415.0 15.0
416.0 3.9
417.0 25.0
418.0 4.7
419.0 13.5
420.0 2.8
421.0 1.3
422.0 1.0
424.0 1.2
425.0 1.5
426.0 2.7
427.0 3.9
428.0 5.0
429.0 6.9
430.0 14.3
431.0 18.0
432.0 24.3
433.0 25.5
434.0 14.8
435.0 12.8
436.0 2.7
437.0 1.5
439.0 1.7
440.0 7.3
441.0 6.1
442.0 14.3
443.0 10.6
444.0 9.5
445.0 7.4
446.0 3.0
447.0 2.1
448.0 1.0
453.0 1.9
454.0 6.4
455.0 8.0
456.0 23.1
457.0 20.3
458.0 32.1
459.0 23.8
460.0 18.9
461.0 11.0
462.0 4.3
463.0 1.7
464.0 1.1
471.0 1.0
472.0 1.4
473.0 1.8
474.0 1.7
475.0 1.7
476.0 1.0
508.0 2.1
509.0 1.3
510.0 2.3
512.0 1.0
518.0 1.5
519.0 1.2
520.0 4.7
521.0 4.4
522.0 7.5
523.0 8.3
524.0 7.3
525.0 7.3
526.0 3.9
527.0 2.9
528.0 1.1
533.0 1.9
534.0 21.4
535.0 24.3
536.0 77.4
537.0 66.8
538.0 100.0
539.0 70.0
540.0 50.4
541.0 28.3
542.0 8.1
543.0 3.5
551.0 1.2
552.0 1.1
553.0 2.4
554.0 1.3
555.0 2.1
586.0 1.3
588.0 2.2
590.0 1.9
599.0 4.7
600.0 7.2
601.0 19.3
602.0 21.4
603.0 31.3
604.0 23.9
605.0 23.4
606.0 10.9
607.0 6.9
608.0 1.8
612.0 3.0
613.0 4.1
614.0 13.6
615.0 21.8
616.0 28.3
617.0 43.9
618.0 33.0
619.0 42.1
620.0 21.5
621.0 19.3
622.0 7.1
623.0 3.4
678.5 4.5
680.5 7.1
681.0 12.5
681.5 1.9
682.0 3.0
683.0 29.4
683.5 1.4
684.0 5.7
685.0 20.5
686.0 4.8
686.5 1.2
687.0 5.1
688.0 1.5
694.0 7.4
695.0 2.2
696.0 29.1
697.0 7.4
698.0 43.0
699.0 10.7
700.0 30.1
701.0 7.4
702.0 9.1
703.0 2.2