MassBank Record: MSBNK-Kyoto_Univ-CA000099
ACCESSION: MSBNK-Kyoto_Univ-CA000099
RECORD_TITLE: Rhodoxanthin; FAB-EBEB; MS2; m/z: 562.38; [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: Takashi Maoka, Yoshihiro Ito, Yasuhiro Fujiwara and Keiji Hashimoto, Structures and Antioxidative Activity of retro Carotenoids from the Berries of the Japanese Yew, Taxus cuspidata (in Japanese), Journal of Japan Oil Chemists' Society, 45, 641-646 (1996).
COMMENT: Profile spectrum of this record is given as a JPEG file.
COMMENT: [Profile] CA000099.jpg
CH$NAME: Rhodoxanthin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C40H50O2
CH$EXACT_MASS: 562.38108
CH$SMILES: C(C=CC(=CC=CC(=CC=C(C=2C)C(C)(C)CC(C2)=O)C)C)=CC(=CC=CC(=CC=C(C=1C)C(C)(C)CC(C1)=O)C)C
CH$IUPAC: InChI=1S/C40H50O2/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/h11-26H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23-,38-24-
CH$LINK: CAS
116-30-3
CH$LINK: LIPIDBANK
VCA0022
CH$LINK: INCHIKEY
VWXMLZQUDPCJPL-ZDHAIZATSA-N
AC$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 547.4731
MS$FOCUSED_ION: PRECURSOR_M/Z 562.38
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+*
MS$DATA_PROCESSING: RELATIVE_M/Z normalised by peak(m/z=547.4731). set 999 for peak(m/z=562.4346,rel=3675).
PK$SPLASH: splash10-03di-1930020000-c29cfb2c239b6e13933d
PK$NUM_PEAK: 680
PK$PEAK: m/z int. rel.int.
4.6597 0.01 0
14.0229 0.02 1
15.0307 0.04 1
22.9934 0.03 1
25.0308 0.01 0
26.0244 0.11 4
27.0322 0.93 34
28.0432 0.09 3
29.0481 0.73 27
30.0040 0.01 0
31.0039 0.02 1
35.0186 0.01 0
36.2413 0.01 0
37.0156 0.12 4
37.6669 0.01 0
38.0163 0.36 13
39.0348 2.85 105
40.0445 0.45 17
41.0506 4.39 161
42.0331 0.11 4
43.0462 2.71 100
44.0615 0.01 0
44.6908 0.01 0
45.0455 0.06 2
48.1897 0.01 0
49.0260 0.08 3
49.4193 0.01 0
50.0253 0.85 31
50.4000 0.01 0
51.0361 2.18 80
52.0450 0.69 25
52.5022 0.01 0
53.0504 3.56 131
54.0366 0.10 4
55.0652 5.01 184
56.0719 0.18 7
57.0801 0.58 21
58.0496 0.02 1
58.7784 0.01 0
59.0674 0.12 4
60.0039 0.02 1
61.0343 0.13 5
62.0375 0.72 26
63.0496 2.11 78
63.4554 0.01 0
64.0554 0.32 12
64.5562 0.03 1
65.0604 3.13 115
66.0671 0.54 20
66.5422 0.01 0
67.0622 3.79 139
67.5701 0.01 0
68.0598 0.09 3
69.0635 4.15 153
69.7366 0.01 0
70.1009 0.02 1
70.2881 0.01 0
70.6483 0.01 0
71.0562 0.13 5
72.0765 0.01 0
73.0637 0.04 1
74.0358 0.51 19
75.0649 0.91 33
75.6914 0.06 2
76.0518 0.50 18
77.0528 9.42 346
78.0668 2.05 75
78.4583 0.06 2
79.0676 7.26 267
79.6580 0.01 0
80.0700 0.64 24
81.0815 5.00 184
82.0796 0.15 6
83.0691 3.23 119
83.6887 0.02 1
83.9982 0.02 1
85.0533 0.25 9
86.0454 0.27 10
87.0412 0.41 15
87.7268 0.02 1
88.0509 0.17 6
89.0949 1.19 44
90.0904 0.47 17
91.0844 19.60 721
92.0921 1.51 56
93.0970 8.80 324
94.0973 0.56 21
95.0928 3.33 122
96.0983 0.10 4
96.5798 0.01 0
97.1149 0.38 14
98.0959 0.19 7
99.0828 0.25 9
99.3966 0.01 0
100.1198 0.04 1
100.6287 0.02 1
101.1198 0.38 14
102.0784 1.41 52
103.0938 4.30 158
104.1006 1.94 71
105.1066 20.73 762
106.1077 1.69 62
107.1158 6.97 256
107.6420 0.07 3
108.1079 0.74 27
108.4765 0.03 1
109.1031 4.52 166
110.0840 0.31 11
111.0890 0.45 17
111.9999 0.05 2
113.0732 0.26 10
113.3595 0.08 3
114.0883 0.54 20
115.0797 12.59 463
116.0912 4.42 163
117.0935 9.11 335
118.0865 1.72 63
119.1038 16.16 594
120.1011 1.56 57
121.0997 7.79 286
122.0957 1.01 37
122.5584 0.03 1
123.0889 1.73 64
124.0510 0.28 10
125.1051 1.28 47
125.5818 0.09 3
126.0711 0.68 25
127.0830 5.51 203
128.0800 15.04 553
129.0822 16.13 593
130.0885 5.44 200
131.0945 12.80 471
132.1073 2.44 90
133.1048 9.40 346
134.1048 0.86 32
135.0924 11.48 422
136.0907 0.88 32
136.5560 0.05 2
137.0984 2.75 101
138.1017 0.29 11
139.0785 1.85 68
139.5191 0.08 3
140.0840 0.86 32
141.0849 12.26 451
142.0938 9.97 367
143.1037 16.37 602
144.1036 5.88 216
145.1100 14.72 541
146.1063 2.88 106
147.1189 9.34 343
148.1102 1.12 41
149.1232 5.28 194
150.1052 0.67 25
151.1299 6.31 232
152.1067 5.81 214
153.1039 7.71 283
154.1201 3.42 126
155.1219 11.68 429
156.1301 7.51 276
157.1350 13.43 494
158.1281 3.97 146
159.1403 10.58 389
160.1407 3.09 114
161.1503 5.72 210
162.1101 0.43 16
163.1522 1.29 47
164.1529 0.77 28
165.1319 12.83 472
166.1383 4.34 160
167.1484 8.79 323
168.1405 3.20 118
169.1560 9.95 366
170.1595 4.39 161
171.1581 8.94 329
172.1475 3.13 115
173.1574 7.08 260
174.1454 1.24 46
175.1665 5.57 205
176.1360 1.17 43
177.1302 1.23 45
177.5383 0.28 10
178.1251 6.56 241
179.1291 10.63 391
180.1451 4.40 162
181.1348 9.14 336
182.1521 3.62 133
183.1458 8.66 318
184.1473 2.42 89
185.1466 6.37 234
186.1307 2.27 83
187.1383 4.12 151
188.1436 0.73 27
189.1324 6.11 225
190.1260 1.88 69
191.1331 6.59 242
192.1378 4.36 160
193.1346 7.98 293
194.1347 3.89 143
195.1469 9.88 363
196.1410 3.42 126
197.1471 8.10 298
198.1322 1.70 63
199.1422 7.30 268
200.1369 1.00 37
201.1537 3.80 140
202.1222 3.41 125
203.1357 4.53 167
204.1353 1.70 63
205.1369 4.68 172
206.1519 3.36 124
207.1559 7.00 257
208.1546 3.18 117
209.1581 7.26 267
210.1577 2.07 76
211.1679 6.56 241
212.1858 0.94 35
213.1623 6.50 239
214.1825 0.58 21
215.1685 4.67 172
216.1709 1.99 73
217.1766 4.43 163
218.1740 1.73 64
219.1777 4.25 156
219.5674 0.14 5
220.1861 2.27 83
221.1892 4.99 183
222.1825 2.23 82
223.1980 4.64 171
224.2009 1.57 58
225.2143 2.66 98
226.1846 1.54 57
227.2032 1.74 64
228.2051 1.53 56
229.1916 3.28 121
230.1900 1.49 55
231.1976 3.54 130
232.2099 1.61 59
233.2095 3.65 134
234.2109 1.38 51
235.2039 3.81 140
236.1973 1.55 57
237.2086 3.23 119
238.1969 0.76 28
239.1928 2.81 103
240.1848 0.62 23
240.6859 0.16 6
241.1916 1.86 68
242.1798 1.01 37
243.1961 2.48 91
244.2200 1.26 46
245.2166 2.95 108
246.2076 1.24 46
247.2252 2.92 107
248.2140 1.10 40
249.2221 3.13 115
250.2173 1.21 44
251.2319 2.28 84
252.2029 1.26 46
253.2138 2.21 81
254.2187 0.75 28
255.2150 2.01 74
256.2146 1.21 44
257.2086 1.90 70
258.2308 1.10 40
259.2255 2.60 96
260.2380 1.06 39
260.6161 0.17 6
261.2288 2.46 90
261.7448 0.15 6
262.2419 0.89 33
263.2304 2.37 87
264.2617 0.63 23
265.2272 2.17 80
266.2195 0.83 31
267.2369 1.52 56
268.2253 0.61 22
268.6807 0.14 5
269.2242 1.53 56
270.2484 0.80 29
271.2375 1.17 43
272.2428 0.85 31
273.2219 1.65 61
274.1734 0.66 24
275.2544 1.60 59
276.2416 0.66 24
277.2658 1.91 70
278.2477 0.62 23
279.2342 1.74 64
280.2415 0.59 22
281.2697 1.62 60
282.2747 1.05 39
283.2430 1.21 44
284.2249 0.54 20
285.2585 1.10 40
286.2379 0.42 15
287.2602 1.49 55
288.2385 0.41 15
289.2774 1.36 50
290.2386 0.48 18
291.2794 1.21 44
291.7183 0.19 7
292.2793 0.48 18
293.2500 1.14 42
294.2473 0.58 21
295.2582 0.80 29
296.2604 0.40 15
297.2437 0.89 33
298.2700 0.51 19
299.2744 0.90 33
300.2274 0.49 18
301.2543 0.92 34
302.2194 0.32 12
303.2498 1.00 37
304.3054 0.35 13
305.2697 0.58 21
306.2992 0.46 17
307.2579 0.69 25
308.2701 0.33 12
309.2366 0.51 19
310.3083 0.22 8
311.2427 0.66 24
312.2616 0.38 14
313.2467 0.83 31
314.2467 0.31 11
315.2810 0.93 34
316.2385 0.26 10
316.5804 0.11 4
317.2687 0.77 28
317.7173 0.04 1
318.3021 0.30 11
319.2764 0.70 26
320.2450 0.32 12
321.2226 0.24 9
322.2567 0.18 7
322.7516 0.08 3
323.2599 0.45 17
324.2559 0.25 9
325.2254 0.42 15
325.8540 0.07 3
326.2795 0.26 10
327.3116 0.66 24
328.2623 0.41 15
329.2769 0.71 26
330.3035 0.29 11
330.5863 0.10 4
331.2660 0.74 27
332.3072 0.28 10
333.2597 0.89 33
334.3087 0.54 20
335.2777 0.39 14
335.7816 0.02 1
336.3330 0.14 5
336.6813 0.04 1
337.2624 0.35 13
338.2616 0.21 8
339.2951 0.53 19
340.3406 0.20 7
341.3062 0.47 17
342.3877 0.22 8
343.3151 0.70 26
344.2663 0.34 13
345.3126 0.80 29
345.7728 0.07 3
346.3131 0.77 28
346.7763 0.08 3
347.2900 0.64 24
348.2626 0.12 4
349.3036 0.34 13
350.2186 0.25 9
351.2837 0.39 14
352.2940 0.23 8
353.3238 0.46 17
354.2899 0.11 4
354.7402 0.08 3
355.3734 0.37 14
356.3873 0.13 5
357.3209 0.51 19
358.3520 0.40 15
358.6878 0.11 4
359.3297 1.09 40
360.3225 0.66 24
361.3719 0.14 5
362.0185 0.07 3
362.3396 0.13 5
363.2778 0.21 8
363.6421 0.14 5
364.3291 0.12 4
365.3151 0.25 9
365.7821 0.02 1
366.3235 0.13 5
367.3782 0.25 9
368.3795 0.12 4
368.6474 0.06 2
369.3393 0.54 20
370.3736 0.16 6
371.3214 0.39 14
372.2921 0.48 18
372.8421 0.05 2
373.3164 0.38 14
374.3260 0.38 14
375.2212 0.13 5
376.3366 0.12 4
377.2245 0.13 5
377.8835 0.03 1
378.2926 0.18 7
378.7494 0.05 2
379.3356 0.29 11
379.7299 0.05 2
380.1629 0.07 3
380.5676 0.06 2
381.3817 0.23 8
382.4101 0.16 6
383.3687 0.46 17
384.3289 0.24 9
385.3235 0.51 19
386.4060 0.14 5
386.6860 0.08 3
387.3443 0.17 6
387.9504 0.10 4
388.3615 0.14 5
388.8516 0.05 2
389.1897 0.12 4
389.3983 0.06 2
389.9659 0.03 1
390.4218 0.19 7
391.3202 0.21 8
391.6375 0.11 4
392.3588 0.15 6
393.3513 0.20 7
394.2247 0.06 2
394.6137 0.06 2
395.4112 0.25 9
395.8435 0.10 4
396.2982 0.14 5
396.5278 0.08 3
397.3642 0.56 21
397.8324 0.10 4
398.3856 0.48 18
399.3803 0.70 26
400.3989 0.68 25
401.4401 0.24 9
401.9547 0.02 1
402.3470 0.06 2
402.7111 0.07 3
403.3022 0.23 8
404.3250 0.17 6
404.6078 0.05 2
404.8922 0.03 1
405.3448 0.13 5
405.6426 0.03 1
406.2085 0.08 3
406.4944 0.05 2
406.7967 0.02 1
407.4132 0.12 4
408.3976 0.08 3
409.3107 0.96 35
410.3609 0.18 7
410.7259 0.04 1
411.3889 0.60 22
412.3991 0.54 20
413.4451 0.40 15
414.5002 0.14 5
415.3453 1.03 38
416.5392 0.15 6
417.3189 0.11 4
417.7035 0.02 1
418.3938 0.36 13
419.4404 0.10 4
419.7903 0.03 1
420.2461 0.04 1
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420.8463 0.01 0
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422.4938 0.01 0
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424.3457 0.42 15
425.3634 1.10 40
426.4125 0.24 9
426.7583 0.10 4
427.3201 0.09 3
427.5974 0.04 1
428.0668 0.05 2
428.4335 0.05 2
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429.6752 0.06 2
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432.3871 0.10 4
432.9076 0.04 1
433.1178 0.04 1
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434.2735 0.07 3
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437.6489 0.10 4
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443.4445 0.13 5
443.9818 0.02 1
444.6236 0.05 2
445.3924 0.07 3
446.2612 0.05 2
447.0405 0.05 2
447.5392 0.08 3
448.3126 0.09 3
448.6261 0.08 3
449.3981 0.16 6
450.0208 0.11 4
451.1663 0.14 5
452.2177 0.15 6
453.2006 0.18 7
454.3830 0.15 6
455.3971 0.36 13
456.3965 1.33 49
457.1676 0.12 4
457.4928 0.08 3
458.2640 0.02 1
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479.0999 0.05 2
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502.9564 0.01 0
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518.1791 0.08 3
518.5476 0.16 6
519.4517 0.41 15
520.2663 0.11 4
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523.1328 0.01 0
523.4999 0.04 1
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524.9027 0.06 2
525.2907 0.06 2
525.9325 0.09 3
526.2847 0.05 2
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526.9102 0.04 1
527.5803 0.08 3
528.3505 0.13 5
528.8760 0.10 4
529.5358 0.32 12
530.4136 0.17 6
531.4616 0.66 24
532.4739 0.43 16
533.4862 0.52 19
534.4807 0.35 13
535.3229 0.03 1
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536.3517 0.05 2
537.2717 0.07 3
537.8347 0.05 2
538.5187 0.13 5
544.4161 2.05 75
545.5082 1.11 41
547.4731 27.17 999
548.6057 0.58 21
550.4005 0.35 13
562.4346 99.96 999
565.4153 4.00 147
566.2184 1.91 70
567.5217 0.82 30
568.9041 0.54 20
569.7133 0.30 11
570.8928 0.17 6
572.0261 0.19 7
//
