MassBank Record: MSBNK-Kyoto_Univ-CA000104
ACCESSION: MSBNK-Kyoto_Univ-CA000104
RECORD_TITLE: Tunaxanthin; FAB-EBEB; MS2; m/z: 568.43; [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] CA000104.jpg
CH$NAME: Tunaxanthin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C40H56O2
CH$EXACT_MASS: 568.42803
CH$SMILES: C(O)(C2)C=C(C)C(C2(C)C)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC(C1(C)C)C(C)=CC(O)C1
CH$IUPAC: InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35-38,41-42H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
CH$LINK: CAS
12738-95-3
CH$LINK: INCHIKEY
BIPAHAFBQLWRMC-DKLMTRRASA-N
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$FOCUSED_ION: BASE_PEAK 105.0764
MS$FOCUSED_ION: PRECURSOR_M/Z 568.43
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+*
MS$DATA_PROCESSING: RELATIVE_M/Z normalised by peak(m/z=105.0764). set 999 for peak(m/z=568.4344,rel=4297).
PK$SPLASH: splash10-014i-2910020000-5999bd909d65ba0822d7
PK$NUM_PEAK: 766
PK$PEAK: m/z int. rel.int.
14.0064 0.01 0
15.0166 0.07 3
22.9800 0.05 2
24.0058 0.01 0
24.9934 0.02 1
25.9950 0.11 5
27.0147 1.03 44
28.0123 0.06 3
29.0258 1.05 45
30.0119 0.02 1
31.0069 0.13 6
36.9783 0.05 2
37.9967 0.40 17
39.0201 2.70 116
39.4358 0.01 0
40.0275 0.29 12
40.4859 0.01 0
41.0343 4.89 210
42.0196 0.18 8
42.4429 0.01 0
42.6946 0.01 0
43.0270 4.04 174
44.0111 0.06 3
45.0267 0.16 7
46.0138 0.01 0
48.9917 0.02 1
50.0129 0.53 23
50.4349 0.01 0
51.0113 1.48 64
52.0211 0.69 30
53.0297 3.57 153
53.7105 0.01 0
54.0349 0.27 12
55.0465 7.74 333
56.0519 0.16 7
57.0509 1.22 52
57.4947 0.02 1
58.0502 0.05 2
59.0448 1.05 45
60.0488 0.03 1
61.0244 0.06 3
61.6142 0.02 1
62.0198 0.32 14
63.0157 1.24 53
63.6563 0.01 0
64.0263 0.31 13
64.4656 0.01 0
65.0328 2.62 113
66.0313 0.56 24
67.0505 4.30 185
67.5214 0.03 1
68.0617 0.28 12
69.0476 5.13 221
69.7105 0.01 0
70.0201 0.08 3
71.0433 3.28 141
72.0336 0.02 1
73.0517 0.08 3
74.0167 0.28 12
74.3051 0.03 1
75.0315 0.45 19
75.9940 0.35 15
77.0325 7.72 332
78.0307 1.70 73
78.5092 0.10 4
79.0431 8.01 344
80.0497 1.67 72
80.4847 0.02 1
81.0605 10.87 467
81.6184 0.02 1
82.0377 1.57 67
83.0515 2.66 114
83.6288 0.01 0
84.0554 0.24 10
85.0632 0.70 30
85.4116 0.01 0
86.0039 0.14 6
86.2642 0.03 1
87.0193 0.16 7
87.3770 0.01 0
88.0602 0.12 5
89.0295 0.93 40
89.3468 0.15 6
90.0639 0.34 15
91.0584 17.99 773
92.0655 2.62 113
93.0762 11.59 498
94.0875 1.06 46
95.0641 14.62 628
96.0661 0.85 37
97.0703 4.25 183
97.6167 0.01 0
98.0530 0.27 12
98.6501 0.01 0
99.0899 0.14 6
100.0897 0.07 3
100.5700 0.04 2
101.0285 0.31 13
101.4743 0.07 3
102.0649 1.06 46
103.0677 3.33 143
103.4928 0.06 3
104.0540 1.58 68
105.0764 23.24 999
106.0821 2.52 108
107.0859 10.42 448
108.0692 1.32 57
109.0966 7.34 316
110.0633 0.46 20
110.5525 0.05 2
111.0821 1.37 59
112.0559 0.15 6
113.0018 0.22 9
114.0147 0.41 18
115.0452 9.22 396
116.0479 3.64 156
117.0574 10.46 450
118.0698 2.34 101
119.0755 21.51 925
120.0747 2.61 112
121.0752 11.83 509
122.0663 0.75 32
123.0628 11.50 494
124.0728 0.36 15
124.5043 0.05 2
125.0801 0.58 25
125.5625 0.09 4
126.0398 0.48 21
127.0469 3.12 134
128.0404 10.20 438
129.0432 13.41 576
130.0555 5.77 248
131.0554 14.81 637
132.0592 4.07 175
132.4964 0.13 6
133.0724 12.11 521
134.0649 1.45 62
134.4495 0.10 4
135.0695 6.31 271
136.0703 0.78 34
137.0639 2.90 125
137.4515 0.08 3
138.0725 1.86 80
139.0448 2.36 101
140.0790 0.65 28
141.0437 8.35 359
142.0496 8.22 353
143.0579 16.91 727
144.0686 6.20 267
145.0762 20.71 890
146.0709 2.23 96
147.0762 6.96 299
148.0603 1.10 47
148.4982 0.02 1
149.0885 1.79 77
150.0647 0.54 23
151.0864 1.58 68
152.0643 3.33 143
153.0585 4.33 186
154.0746 2.64 113
155.0776 9.31 400
156.0899 6.56 282
157.1016 13.90 598
158.1128 2.77 119
159.1066 7.62 328
160.1054 1.09 47
161.1064 4.81 207
161.5945 0.14 6
162.1195 0.56 24
163.1080 1.13 49
164.1510 0.42 18
164.5045 0.12 5
165.0944 7.03 302
166.1036 2.51 108
167.1079 6.78 291
167.4764 0.19 8
167.6974 0.10 4
168.1199 2.69 116
169.1154 9.24 397
170.1187 3.18 137
171.1326 7.45 320
172.1303 1.87 80
173.1329 3.97 171
174.0964 0.59 25
175.1416 2.42 104
176.0965 0.65 28
177.1303 0.79 34
178.0794 3.29 141
178.6090 0.15 6
179.0932 6.27 270
179.5875 0.12 5
180.0962 3.08 132
181.0999 8.06 346
182.1057 3.09 133
183.0992 7.44 320
184.1077 1.70 73
185.1139 3.80 163
186.1322 0.68 29
186.6172 0.09 4
187.1138 1.64 70
187.6650 0.16 7
188.1305 0.38 16
189.0847 2.11 91
190.0681 0.75 32
191.0764 3.16 136
192.0896 2.24 96
193.0920 5.34 230
194.1178 2.73 117
195.0997 7.73 332
196.1051 1.91 82
197.1212 7.04 303
198.1033 1.01 43
199.1204 2.55 110
200.0847 0.74 32
201.1390 1.41 61
202.0625 1.62 70
203.0976 1.82 78
204.0971 0.95 41
205.0971 2.10 90
206.1063 2.27 98
207.1001 4.08 175
208.1059 2.31 99
209.1166 5.43 233
210.1408 1.34 58
211.1249 2.82 121
212.1137 0.68 29
212.4357 0.09 4
213.1277 1.63 70
214.1277 0.51 22
215.1063 1.80 77
216.1304 1.18 51
217.1172 2.02 87
218.1378 0.82 35
218.4287 0.12 5
219.1298 2.77 119
220.1310 1.29 55
221.1340 3.35 144
222.1476 1.34 58
222.6342 0.20 9
223.1588 2.82 121
224.1514 0.62 27
224.4561 0.11 5
225.1503 1.15 49
226.1627 0.68 29
226.6851 0.06 3
227.1492 1.21 52
227.5200 0.11 5
228.1566 0.88 38
229.1572 1.27 55
230.1355 0.63 27
230.5671 0.05 2
231.1709 1.66 71
232.1543 0.90 39
233.1745 2.23 96
234.1703 0.86 37
235.1855 1.91 82
236.1878 0.56 24
237.1657 1.18 51
238.1966 0.41 18
239.1752 1.22 52
240.1600 0.48 21
241.1539 0.91 39
241.6093 0.08 3
242.1643 0.51 22
242.4880 0.10 4
243.1457 0.93 40
244.1788 0.51 22
245.1770 1.54 66
246.1682 0.59 25
247.1847 1.64 70
248.1840 0.62 27
249.1894 1.17 50
250.2113 0.37 16
251.1763 0.62 27
251.6714 0.04 2
252.2033 0.65 28
253.1806 0.81 35
254.1759 0.45 19
254.7065 0.08 3
255.2033 0.50 21
256.1750 0.43 18
256.7176 0.04 2
257.1544 0.68 29
258.1680 0.61 26
259.2201 0.97 42
260.2077 0.53 23
260.6803 0.03 1
261.1986 1.00 43
262.2090 0.65 28
263.2063 0.91 39
264.2320 0.43 18
264.6403 0.06 3
265.2491 0.61 26
266.2105 0.43 18
267.1854 0.55 24
267.7253 0.04 2
268.1916 0.31 13
269.2069 0.57 25
270.2092 0.25 11
270.6772 0.06 3
271.2280 0.53 23
271.7242 0.05 2
272.2219 0.31 13
273.2173 0.73 31
273.7512 0.04 2
274.2026 0.30 13
274.8311 0.12 5
275.2340 0.90 39
276.2198 0.19 8
276.6405 0.10 4
277.2325 0.64 28
278.2809 0.23 10
278.8200 0.04 2
279.2454 0.48 21
279.6354 0.03 1
280.2589 0.21 9
281.2460 0.40 17
282.2201 0.31 13
282.7745 0.06 3
283.2151 0.44 19
284.2133 0.31 13
284.7118 0.05 2
285.1866 0.33 14
285.5713 0.03 1
286.2356 0.34 15
287.2138 0.40 17
287.6741 0.04 2
288.2234 0.29 12
289.2494 0.54 23
290.2711 0.34 15
291.2279 0.48 21
292.1953 0.26 11
293.2177 0.26 11
293.7209 0.03 1
294.2167 0.23 10
295.2351 0.26 11
295.4853 0.06 3
296.2182 0.11 5
297.2430 0.17 7
297.8340 0.05 2
298.2295 0.18 8
298.7392 0.03 1
299.2415 0.37 16
300.2699 0.21 9
301.2407 0.23 10
302.1332 0.15 6
303.2661 0.51 22
304.2183 0.19 8
304.6217 0.03 1
305.1899 0.29 12
305.5015 0.08 3
306.2390 0.23 10
307.1977 0.30 13
308.1788 0.16 7
308.7504 0.02 1
309.2018 0.27 12
310.1982 0.15 6
311.1948 0.10 4
311.5840 0.06 3
311.8737 0.03 1
312.2748 0.21 9
313.2376 0.20 9
313.5765 0.02 1
314.3344 0.13 6
314.7209 0.05 2
315.2531 0.25 11
316.2299 0.12 5
317.2381 0.22 9
318.1289 0.11 5
318.3744 0.05 2
319.2610 0.31 13
319.5987 0.05 2
320.2013 0.14 6
321.2594 0.22 9
322.2060 0.12 5
322.5707 0.03 1
323.1945 0.23 10
323.7707 0.02 1
324.2442 0.05 2
325.2211 0.14 6
326.2131 0.08 3
326.6078 0.05 2
327.3200 0.22 9
328.1857 0.13 6
329.1305 0.15 6
330.2767 0.20 9
331.2592 0.32 14
332.1942 0.25 11
332.8519 0.02 1
333.2999 0.17 7
334.2227 0.08 3
334.5056 0.02 1
334.9016 0.04 2
335.2886 0.21 9
336.4247 0.14 6
336.6526 0.03 1
337.3600 0.07 3
337.9393 0.05 2
338.3102 0.14 6
338.7675 0.02 1
339.2621 0.12 5
339.9102 0.09 4
340.2812 0.06 3
340.7730 0.03 1
341.2350 0.22 9
341.5151 0.04 2
341.7372 0.01 0
342.2261 0.17 7
343.2442 0.16 7
343.6706 0.05 2
344.0656 0.03 1
344.3594 0.13 6
345.1944 0.13 6
346.2562 0.23 10
347.2407 0.18 8
348.1909 0.13 6
348.4505 0.05 2
348.8549 0.03 1
349.3159 0.22 9
350.2829 0.13 6
351.3501 0.04 2
351.6665 0.02 1
352.1651 0.02 1
353.2833 0.08 3
354.3345 0.10 4
355.2380 0.07 3
355.4098 0.03 1
355.8399 0.05 2
356.3134 0.13 6
357.2455 0.09 4
358.1554 0.11 5
358.8455 0.02 1
359.2890 0.19 8
360.3120 0.10 4
361.2814 0.21 9
361.6773 0.02 1
362.3122 0.13 6
363.1698 0.06 3
363.6375 0.02 1
363.9977 0.05 2
364.3712 0.08 3
364.8121 0.03 1
365.2545 0.18 8
366.3516 0.10 4
366.6401 0.04 2
367.2262 0.12 5
367.5865 0.05 2
368.1965 0.15 6
368.9516 0.03 1
369.3150 0.20 9
369.6784 0.06 3
370.3005 0.17 7
370.8016 0.04 2
371.3311 0.13 6
372.2661 0.33 14
372.7880 0.04 2
373.3378 0.12 5
374.3030 0.27 12
375.2789 0.11 5
375.5748 0.06 3
376.3490 0.10 4
376.7032 0.03 1
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377.6719 0.04 2
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378.7887 0.03 1
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379.4540 0.09 4
380.3019 0.14 6
381.2800 0.10 4
382.1669 0.10 4
383.2529 0.05 2
383.5850 0.01 0
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386.2828 0.12 5
387.2975 0.14 6
388.3453 0.07 3
389.2554 0.23 10
390.2151 0.08 3
390.4456 0.04 2
391.2692 0.07 3
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392.8925 0.01 0
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395.4719 0.05 2
395.8315 0.03 1
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396.7155 0.01 0
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399.3109 0.08 3
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403.3120 0.28 12
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407.8332 0.03 1
408.4438 0.03 1
408.8239 0.02 1
409.3822 0.10 4
410.3776 0.08 3
410.7593 0.02 1
411.3641 0.25 11
411.6904 0.07 3
412.3821 0.47 20
413.3598 0.31 13
414.3032 0.20 9
415.3800 0.38 16
416.4015 0.19 8
417.3257 0.17 7
417.8889 0.02 1
418.2754 0.10 4
420.3715 0.14 6
420.7551 0.02 1
421.0548 0.05 2
421.4679 0.05 2
422.3167 0.04 2
422.5636 0.03 1
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429.3499 0.37 16
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485.4997 0.03 1
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485.9947 0.03 1
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487.1393 0.06 3
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487.5623 0.02 1
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489.4317 0.16 7
490.0979 0.03 1
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491.8640 0.03 1
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493.5658 0.05 2
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512.3031 0.70 30
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549.5330 0.84 36
550.4850 5.35 230
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555.1409 0.29 12
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559.5731 0.64 28
568.4344 99.97 999
570.4875 5.71 245
571.3220 2.31 99
572.2900 0.95 41
572.8019 0.47 20
573.8856 0.33 14
//
