MassBank Record: MSBNK-Kyoto_Univ-CA000013
ACCESSION: MSBNK-Kyoto_Univ-CA000013
RECORD_TITLE: Canthaxanthin; FAB-EBEB; MS2; m/z: 564.40; [M]+*
DATE: 2016.01.19 (Created 2010.04.01, modified 2011.05.10)
AUTHORS: Akimoto N, Graduate School of Pharmaceutical Sciences, Kyoto University and Maoka T, Research Institute for Production Development
LICENSE: CC BY-SA
PUBLICATION: Akimoto, N.; Takashi, M.; Fujiwara, Y.; Hashimoto, K.; Analysis of carotenoids by FAB CID-MS2 (in Japanese). J. Mass Spectrom. Soc. Jpn. 2000, 48, 32-41. doi:10.5702/massspec.48.32
COMMENT: Profile spectrum of this record is given as a JPEG file.
COMMENT: [Profile] CA000013.jpg
CH$NAME: Canthaxanthin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C40H52O2
CH$EXACT_MASS: 564.39673
CH$SMILES: C(C(C)=1)(=O)CCC(C(C=CC(C)=CC=CC(=CC=CC=C(C)C=CC=C(C=CC(=C2C)C(CCC2=O)(C)C)C)C)1)(C)C
CH$IUPAC: InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
CH$LINK: CAS
514-78-3
CH$LINK: LIPIDBANK
VCA0040
CH$LINK: NIKKAJI
J6.290A
CH$LINK: INCHIKEY
FDSDTBUPSURDBL-DKLMTRRASA-N
CH$LINK: COMPTOX
DTXSID0022727
AC$INSTRUMENT: JMS-HX/HX 110A, JEOL
AC$INSTRUMENT_TYPE: FAB-EBEB
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: ATOM_GUN_CURRENT 5 mA
AC$MASS_SPECTROMETRY: BOMBARDMENT 6 kV xenon
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 3 kV
AC$MASS_SPECTROMETRY: COLLISION_GAS Ar
AC$MASS_SPECTROMETRY: GAS_PRESSURE adjust to attenuate the intensity of the precursor ion by 30 %
AC$MASS_SPECTROMETRY: IONIZATION FAB
AC$MASS_SPECTROMETRY: MATRIX 1-2 uL m-NBA
AC$MASS_SPECTROMETRY: PROBE_TIP stainless-steel
MS$FOCUSED_ION: BASE_PEAK 91.0633
MS$FOCUSED_ION: PRECURSOR_M/Z 564.40
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+*
MS$DATA_PROCESSING: RELATIVE_M/Z normalised by peak(m/z=91.0633). set 999 for peak(m/z=564.4359,rel=2072).
PK$SPLASH: splash10-02vl-2920010000-7c8f6754d70e115e1e44
PK$NUM_PEAK: 678
PK$PEAK: m/z int. rel.int.
1.0096 0.01 0
8.1322 0.01 0
9.5105 0.02 0
11.9900 0.01 0
12.9967 0.01 0
13.6285 0.03 1
14.0109 0.05 1
15.0201 0.18 4
16.4797 0.01 0
19.1665 0.01 0
22.9746 0.06 1
23.9650 0.01 0
24.1825 0.01 0
24.9984 0.11 2
25.3872 0.02 0
25.5503 0.01 0
26.0080 0.67 14
27.0180 3.96 82
28.0256 0.56 12
28.5992 0.01 0
29.0309 2.76 57
29.5206 0.02 0
30.0189 0.02 0
31.0082 0.09 2
35.1114 0.04 1
35.9987 0.05 1
36.3820 0.01 0
36.9968 0.53 11
37.3080 0.01 0
37.6070 0.01 0
38.0081 1.42 29
39.0191 9.95 206
40.0252 1.25 26
40.4519 0.01 0
41.0359 19.27 399
42.0304 0.71 15
42.7077 0.04 1
43.0292 12.42 257
44.0449 0.05 1
44.4995 0.01 0
45.0262 0.15 3
45.8859 0.01 0
46.9228 0.01 0
47.9962 0.02 0
48.7223 0.03 1
49.0042 0.41 8
49.1998 0.07 1
50.0118 3.68 76
51.0210 8.31 172
52.0326 3.06 63
53.0342 10.78 223
54.0367 0.62 13
55.0411 28.77 596
56.0609 3.39 70
57.0514 2.40 50
57.5025 0.06 1
58.0525 0.07 1
59.0502 0.26 5
59.9769 0.08 2
61.0161 0.70 15
62.0179 2.43 50
63.0261 7.30 151
64.0386 1.49 31
65.0375 11.05 229
66.0415 1.67 35
66.4418 0.04 1
67.0494 12.12 251
67.6595 0.02 0
68.0587 0.38 8
69.0681 32.11 666
70.0631 0.94 19
71.0689 1.15 24
72.0672 0.04 1
73.0298 0.21 4
74.0125 2.17 45
75.0279 2.99 62
76.0317 1.91 40
77.0361 28.51 591
78.0473 5.97 124
79.0491 19.84 411
80.0588 2.30 48
81.0639 16.14 335
81.5305 0.07 1
82.0392 0.36 7
82.4920 0.07 1
83.0623 4.59 95
83.6586 0.02 0
84.0592 0.18 4
84.5738 0.02 0
85.0751 0.46 10
86.0139 0.92 19
87.0183 1.73 36
88.0444 0.58 12
89.0475 4.29 89
90.0708 1.41 29
91.0633 48.20 999
92.0695 4.60 95
93.0820 23.13 479
94.0833 1.78 37
95.0863 10.23 212
96.0642 0.63 13
97.0791 5.73 119
98.0428 0.69 14
99.0553 0.68 14
99.4541 0.04 1
99.6354 0.02 0
100.0607 0.20 4
101.0563 1.44 30
102.0577 3.99 83
103.0701 10.41 216
104.0700 4.94 102
105.0809 46.52 964
106.0923 3.91 81
107.0962 17.17 356
108.0918 1.64 34
109.0957 6.88 143
110.0708 0.68 14
111.0793 4.17 86
112.1014 0.12 2
113.0573 1.34 28
114.0946 1.44 30
115.0547 33.01 684
116.0631 11.13 231
117.0662 24.66 511
118.0709 5.08 105
119.0770 44.93 931
120.0818 4.38 91
121.0746 15.00 311
122.0633 2.40 50
123.0723 5.41 112
124.0569 0.76 16
125.0659 0.93 19
126.0409 2.45 51
127.0456 13.35 277
128.0475 35.12 728
129.0507 35.21 730
130.0564 11.94 247
131.0661 27.04 560
132.0620 6.76 140
133.0577 37.34 774
134.0614 3.94 82
135.0719 9.67 200
136.0592 1.45 30
137.0765 12.61 261
138.0660 2.24 46
139.0566 9.59 199
140.0593 2.45 51
141.0574 30.21 626
142.0622 23.85 494
143.0694 33.91 703
144.0720 11.73 243
145.0798 31.42 651
145.5931 0.27 6
146.0789 5.13 106
147.0831 22.76 472
148.0716 3.12 65
149.1027 4.50 93
150.0708 1.92 40
151.0746 4.42 92
152.0681 15.34 318
153.0737 18.63 386
154.0816 9.04 187
155.0918 27.57 571
156.0986 16.75 347
157.1021 30.91 641
158.1079 7.49 155
159.1173 18.27 379
160.1162 3.96 82
161.1231 10.09 209
162.1335 2.03 42
163.1124 8.13 169
164.1103 2.67 55
165.0992 31.13 645
166.1099 10.17 211
167.1158 20.01 415
168.1183 7.86 163
169.1267 23.41 485
170.1259 8.37 173
171.1328 17.68 366
172.1207 4.72 98
173.1333 11.30 234
174.1226 2.38 49
175.1310 8.24 171
176.0946 4.10 85
177.1228 4.08 85
178.0948 17.04 353
179.0973 22.59 468
180.1104 8.87 184
181.1114 20.78 431
182.1172 7.64 158
183.1166 19.27 399
184.1280 4.84 100
185.1143 12.85 266
186.1013 2.77 57
187.1216 9.06 188
188.1126 2.31 48
189.0984 12.24 254
190.1034 4.73 98
191.0947 12.65 262
192.1037 9.25 192
193.1032 17.44 361
194.1133 8.81 183
195.1168 19.97 414
196.1123 6.48 134
197.1226 14.79 307
198.1148 2.76 57
199.1205 8.35 173
200.0950 4.40 91
201.1204 7.83 162
202.0874 9.21 191
203.1138 12.60 261
204.1076 3.69 76
205.1077 9.56 198
206.1140 6.65 138
207.1180 13.27 275
208.1310 5.87 122
209.1316 13.12 272
210.1269 3.24 67
211.1385 9.20 191
211.7081 0.18 4
212.1521 1.77 37
213.1400 7.87 163
214.1530 1.68 35
215.1317 13.87 287
216.1225 4.09 85
217.1339 8.44 175
218.1371 3.83 79
219.1451 8.59 178
220.1564 4.11 85
221.1551 9.55 198
222.1629 3.08 64
223.1726 8.07 167
224.1624 2.59 54
225.1700 5.34 111
226.1620 3.16 65
227.1748 4.54 94
228.1499 3.74 78
229.1670 6.43 133
230.1802 3.03 63
231.1632 5.83 121
232.1684 2.98 62
233.1754 6.60 137
234.1829 2.90 60
235.1863 5.85 121
236.2017 1.63 34
237.1855 5.96 124
238.1973 1.61 33
239.1672 6.73 139
240.1608 1.96 41
241.1765 4.86 101
242.1591 1.74 36
243.1595 4.46 92
244.1662 2.31 48
245.1775 5.15 107
246.1877 2.22 46
247.1954 5.62 116
248.1946 1.69 35
249.2014 4.44 92
250.1851 1.28 27
251.2014 4.04 84
252.1858 2.24 46
253.1953 4.45 92
254.1932 1.41 29
255.1984 4.51 93
256.1833 1.49 31
257.2053 3.79 79
258.2070 1.72 36
259.2061 4.44 92
260.2245 1.56 32
261.1963 3.97 82
262.2315 1.09 23
263.2082 3.27 68
264.1808 1.12 23
265.1978 3.58 74
266.2062 1.15 24
267.2135 4.00 83
268.2210 1.28 27
269.2347 2.67 55
270.2237 1.37 28
271.2321 2.70 56
271.6147 0.16 3
272.2085 1.07 22
273.2126 2.58 53
274.2259 1.01 21
275.2306 2.80 58
276.1811 1.12 23
277.2466 2.68 56
277.7294 0.12 2
278.2344 1.03 21
279.2415 3.13 65
280.2446 1.01 21
281.2449 3.31 69
282.2307 1.19 25
283.2610 2.81 58
283.7077 0.16 3
284.2502 0.76 16
285.2412 1.74 36
286.2398 0.77 16
287.2726 2.28 47
288.2381 0.72 15
289.2417 1.98 41
290.1851 0.57 12
291.2215 1.68 35
292.2361 0.49 10
293.2318 1.93 40
294.2439 0.82 17
295.2429 1.93 40
296.2304 0.70 15
297.2077 1.26 26
298.1483 0.45 9
299.2251 1.42 29
300.2281 0.54 11
301.2329 1.09 23
302.2216 0.61 13
303.2180 1.48 31
304.2057 0.51 11
304.5694 0.07 1
305.2409 1.30 27
306.2038 0.44 9
306.6032 0.06 1
307.2202 1.26 26
308.2486 0.54 11
309.2417 0.88 18
310.2158 0.31 6
311.2330 0.88 18
312.2164 0.43 9
313.2473 1.09 23
313.7554 0.09 2
314.2488 0.36 7
315.2120 1.35 28
316.2420 0.40 8
317.2471 1.27 26
318.2657 0.34 7
318.6927 0.08 2
319.2666 0.90 19
320.2752 0.25 5
321.2350 0.55 11
321.7321 0.06 1
322.2217 0.26 5
322.5155 0.09 2
323.2442 0.39 8
323.5885 0.04 1
324.2669 0.30 6
325.2170 0.67 14
326.2459 0.29 6
327.2469 0.63 13
328.2688 0.26 5
328.6134 0.06 1
329.2701 1.03 21
330.2597 0.49 10
331.2645 1.21 25
332.2731 0.28 6
333.2671 1.14 24
334.2538 0.48 10
335.2822 1.12 23
335.7794 0.10 2
336.2395 0.22 5
337.2712 0.30 6
338.2719 0.26 5
339.2728 0.61 13
340.2085 0.35 7
341.2676 0.50 10
342.2586 0.19 4
342.6702 0.07 1
343.2675 0.74 15
344.3123 0.27 6
345.2725 0.83 17
346.2701 0.46 10
347.2990 1.30 27
348.2878 0.50 10
349.3171 1.37 28
350.2542 0.20 4
351.2614 0.42 9
352.2658 0.24 5
352.7599 0.05 1
353.2644 0.20 4
353.5605 0.08 2
353.7645 0.04 1
354.2750 0.14 3
355.1994 0.42 9
356.3741 0.28 6
357.3078 0.57 12
358.3423 0.15 3
359.2920 0.99 21
360.3534 0.64 13
361.3316 2.61 54
362.3398 0.86 18
363.1842 0.15 3
364.2314 0.14 3
365.3084 0.35 7
366.3305 0.14 3
366.7358 0.06 1
367.2887 0.29 6
367.7090 0.04 1
368.2812 0.17 4
369.3380 0.39 8
370.2057 0.11 2
370.5307 0.03 1
371.3134 0.46 10
372.3547 0.45 9
373.3257 0.97 20
374.3712 0.29 6
375.3231 0.26 5
376.2885 0.11 2
376.4792 0.05 1
376.9008 0.04 1
377.3702 0.19 4
377.9647 0.07 1
378.4163 0.04 1
378.7024 0.04 1
379.3418 0.29 6
380.3494 0.29 6
381.2826 0.22 5
381.7760 0.03 1
382.2844 0.10 2
382.8078 0.06 1
383.3401 0.36 7
383.7860 0.02 0
384.3228 0.13 3
385.3132 0.23 5
385.7457 0.08 2
386.4155 0.23 5
387.2941 0.14 3
388.4221 0.11 2
389.3591 0.21 4
389.6561 0.05 1
390.0814 0.08 2
390.2694 0.04 1
390.4858 0.02 0
391.2455 0.09 2
391.5470 0.06 1
392.2934 0.06 1
393.2846 0.26 5
393.5891 0.07 1
394.3013 0.17 4
395.3719 0.21 4
396.0618 0.07 1
396.3740 0.11 2
396.6383 0.10 2
397.3507 0.34 7
397.8824 0.06 1
398.3126 0.13 3
398.9102 0.06 1
399.3792 0.55 11
399.8035 0.10 2
400.3727 0.36 7
401.3963 0.46 10
402.3855 0.18 4
403.3524 0.21 4
403.7520 0.05 1
404.2754 0.08 2
405.2893 0.18 4
405.6905 0.08 2
406.0439 0.08 2
406.4421 0.12 2
407.4131 0.19 4
408.3156 0.07 1
409.3822 0.10 2
410.3744 0.18 4
411.3785 0.64 13
412.3589 0.44 9
412.7201 0.04 1
413.3425 0.36 7
413.7962 0.02 0
414.3380 0.26 5
415.2679 0.16 3
416.3488 0.14 3
416.7653 0.06 1
417.3521 0.10 2
418.3719 0.05 1
418.8453 0.01 0
419.3963 0.15 3
420.3830 0.27 6
421.4004 0.29 6
422.2956 0.13 3
422.5656 0.05 1
423.4146 0.18 4
423.9309 0.05 1
424.2756 0.06 1
424.6308 0.03 1
425.3218 0.17 4
426.3934 0.69 14
427.3323 0.14 3
427.7249 0.07 1
428.2474 0.14 3
429.2043 0.12 2
430.0494 0.09 2
430.5466 0.04 1
431.2992 0.06 1
432.1952 0.06 1
433.0300 0.08 2
433.4467 0.10 2
434.0128 0.07 1
434.3563 0.05 1
435.3646 0.17 4
435.7142 0.11 2
436.8346 0.11 2
437.3008 0.17 4
437.9597 0.08 2
438.3466 0.16 3
439.1446 0.27 6
439.5077 0.09 2
439.8141 0.03 1
440.3685 0.08 2
441.2278 0.11 2
441.4341 0.06 1
442.9109 0.37 8
444.3818 0.10 2
445.3372 0.14 3
445.8306 0.04 1
446.4690 0.05 1
446.7980 0.07 1
447.2286 0.07 1
447.5800 0.02 0
448.2171 0.12 2
448.6134 0.08 2
449.4749 0.11 2
450.3977 0.20 4
451.4657 0.29 6
452.9422 0.24 5
454.4234 0.23 5
455.5352 0.31 6
456.5647 0.22 5
457.4001 0.37 8
458.3878 0.33 7
458.8302 0.07 1
459.1710 0.07 1
459.4878 0.08 2
460.0229 0.01 0
460.4653 0.07 1
461.3816 0.09 2
461.7164 0.07 1
461.9631 0.04 1
462.2979 0.07 1
462.6791 0.05 1
463.4057 0.25 5
464.2265 0.07 1
464.7767 0.04 1
465.4481 0.14 3
466.4126 1.26 26
467.3681 0.08 2
467.7944 0.03 1
468.4060 0.10 2
468.8951 0.07 1
469.3468 0.11 2
469.8614 0.07 1
470.5330 0.17 4
471.3766 0.34 7
472.4208 6.29 130
473.3424 0.13 3
473.6731 0.09 2
474.1234 0.06 1
474.4541 0.04 1
474.7773 0.05 1
475.3743 0.19 4
475.7859 0.07 1
476.2318 0.04 1
476.5206 0.06 1
476.8019 0.03 1
477.3781 0.11 2
477.9543 0.12 2
478.4258 0.29 6
478.8194 0.10 2
479.4226 0.28 6
479.7279 0.11 2
480.4375 0.13 3
481.3521 0.06 1
482.2708 0.04 1
482.6863 0.05 1
483.3650 0.09 2
483.8821 0.05 1
484.4203 0.46 10
485.4459 0.73 15
486.5238 0.09 2
486.8766 0.04 1
487.4538 0.04 1
488.2597 0.09 2
489.2392 0.15 3
489.7776 0.05 1
490.4969 0.10 2
491.3419 0.14 3
491.8489 0.07 1
492.5055 0.15 3
493.4119 0.23 5
494.4695 0.15 3
495.4299 0.36 7
495.7441 0.15 3
496.0089 0.06 1
496.4413 0.05 1
497.3479 0.14 3
498.4357 0.15 3
498.8292 0.11 2
499.2617 0.15 3
499.7989 0.08 2
500.1820 0.09 2
500.7012 0.11 2
501.0784 0.04 1
501.5184 0.04 1
501.8835 0.03 1
502.2098 0.06 1
502.9417 0.09 2
503.3937 0.03 1
504.1765 0.10 2
504.4190 0.09 2
504.6645 0.04 1
505.4773 0.12 2
506.4698 0.18 4
506.8307 0.02 0
507.0747 0.02 0
507.5028 0.20 4
507.8846 0.05 1
508.4811 1.72 36
509.5623 0.09 2
510.3658 0.02 0
510.8541 0.06 1
511.1902 0.06 1
511.6487 0.06 1
512.1266 0.05 1
512.5001 0.07 1
512.9332 0.04 1
513.3560 0.07 1
514.2179 0.04 1
514.8916 0.08 2
515.1904 0.09 2
515.4742 0.06 1
516.1749 0.05 1
516.5842 0.02 0
516.9129 0.02 0
517.4045 0.14 3
517.9379 0.05 1
518.4205 0.14 3
518.8822 0.03 1
519.4022 0.27 6
519.7234 0.09 2
520.4841 0.42 9
521.5825 0.13 3
522.3118 0.10 2
522.6212 0.05 1
522.9589 0.06 1
523.5074 0.14 3
523.7809 0.06 1
524.1890 0.05 1
524.6419 0.07 1
524.9543 0.04 1
525.3190 0.07 1
525.7211 0.08 2
526.1337 0.18 4
526.6644 0.15 3
526.9948 0.13 3
527.4567 0.12 2
528.2012 0.07 1
529.1670 0.10 2
531.3245 0.71 15
532.4969 0.25 5
533.5466 0.36 7
534.3990 0.46 10
535.4953 4.84 100
536.4286 1.15 24
537.3500 0.11 2
538.2579 0.10 2
539.2766 0.13 3
539.7134 0.11 2
540.2385 0.09 2
541.3650 0.25 5
542.8312 0.43 9
543.7260 0.38 8
546.3805 3.09 64
547.4864 0.98 20
548.4651 1.39 29
549.4889 10.96 227
550.4603 0.43 9
564.4359 99.97 999
566.9438 5.33 110
568.5950 1.31 27
569.6913 0.70 15
570.6801 0.35 7
571.6807 0.27 6
572.3180 0.24 5
//