MassBank Record: MSBNK-Kyoto_Univ-CA000002
ACCESSION: MSBNK-Kyoto_Univ-CA000002
RECORD_TITLE: Alloxanthin; 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] CA000002.jpg
CH$NAME: Alloxanthin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C40H52O2
CH$EXACT_MASS: 564.39673
CH$SMILES: CC(C)(C=1C#CC(C)=CC=CC(=CC=CC=C(C)C=CC=C(C#CC(=C2C)C(C)(C)CC(C2)O)C)C)CC(CC(C)1)O
CH$IUPAC: InChI=1S/C40H52O2/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/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1
CH$LINK: CAS
28380-31-6
CH$LINK: LIPIDBANK
VCA0051
CH$LINK: NIKKAJI
J332.267J
CH$LINK: INCHIKEY
DVICWXUADSCSLL-DDEWRDOISA-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$FOCUSED_ION: BASE_PEAK 549.3766
MS$FOCUSED_ION: PRECURSOR_M/Z 564.40
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+*
MS$DATA_PROCESSING: RELATIVE_M/Z normalised by peak(m/z=549.3766). set 999 for peak(m/z=564.3118,rel=1512).
PK$SPLASH: splash10-03fs-2951020000-4b5706aa961185082d65
PK$NUM_PEAK: 544
PK$PEAK: m/z int. rel.int.
1.0926 0.01 0
3.2358 0.01 0
9.5604 0.01 0
11.7391 0.01 0
12.9907 0.01 0
14.0102 0.03 0
14.6120 0.01 0
15.0186 0.15 2
16.0283 0.01 0
19.0198 0.01 0
22.9780 0.05 1
23.8944 0.01 0
24.9992 0.03 0
26.0062 0.20 3
26.5967 0.01 0
27.0153 1.71 26
28.0238 0.14 2
29.0262 1.96 30
30.0179 0.04 1
31.0063 0.27 4
32.0001 0.01 0
35.9478 0.01 0
37.0029 0.27 4
38.0071 0.69 10
39.0160 4.50 68
39.5905 0.02 0
40.0211 0.42 6
41.0307 8.07 122
42.0230 0.11 2
42.3040 0.01 0
43.0260 5.57 84
44.0173 0.17 3
45.0241 0.27 4
45.3530 0.01 0
46.9564 0.01 0
47.9907 0.02 0
48.3621 0.01 0
49.0097 0.15 2
50.0063 1.80 27
51.0154 3.74 57
52.0248 1.08 16
53.0297 4.78 72
53.5291 0.01 0
54.0209 0.14 2
54.3532 0.01 0
55.0433 8.13 123
56.0563 0.20 3
57.0583 4.59 69
57.5749 0.01 0
58.0686 0.04 1
59.0433 0.80 12
60.0455 0.12 2
61.0161 0.39 6
62.0108 1.36 21
63.0203 4.10 62
64.0245 0.79 12
65.0292 4.80 73
66.0415 0.56 8
67.0446 5.03 76
68.0383 0.18 3
68.3263 0.02 0
69.0489 5.76 87
70.0571 0.08 1
71.0374 2.17 33
72.0404 0.03 0
72.4409 0.01 0
73.0237 0.17 3
74.0003 1.72 26
75.0205 2.20 33
76.0194 1.14 17
77.0275 12.47 189
78.0325 2.30 35
79.0392 7.79 118
80.0401 0.59 9
81.0539 6.25 95
82.0341 0.23 3
82.5334 0.04 1
83.0585 3.16 48
84.0390 0.10 2
85.0524 6.36 96
86.0063 0.84 13
87.0183 1.38 21
88.0266 0.68 10
89.0373 2.61 39
90.0504 0.62 9
91.0530 23.51 356
92.0593 1.34 20
93.0704 6.95 105
94.0562 0.40 6
94.5232 0.05 1
95.0785 4.35 66
95.5310 0.04 1
96.0706 0.22 3
97.0687 0.68 10
98.0246 0.76 11
99.0345 0.57 9
99.5428 0.01 0
100.0294 0.22 3
101.0550 1.04 16
102.0524 2.10 32
103.0531 4.97 75
104.0648 1.86 28
105.0691 22.61 342
106.0765 1.16 18
107.0804 7.03 106
108.0601 0.42 6
109.0785 2.55 39
109.4705 0.05 1
110.0191 0.44 7
111.0514 0.79 12
112.0482 0.11 2
113.0266 0.81 12
114.0439 0.83 13
115.0414 18.42 279
116.0457 5.55 84
117.0528 9.74 147
118.0548 1.47 22
119.0649 17.99 272
120.0670 0.83 13
121.0692 4.96 75
122.0255 0.51 8
122.5075 0.02 0
123.0534 1.40 21
123.5415 0.04 1
124.0393 0.16 2
125.0564 0.45 7
126.0273 1.52 23
127.0306 7.89 119
128.0325 21.27 322
129.0343 18.46 279
130.0414 5.54 84
131.0511 10.77 163
132.0484 1.63 25
132.4872 0.12 2
133.0536 5.96 90
134.0395 0.69 10
134.4478 0.03 0
135.0527 1.63 25
135.5194 0.05 1
136.0372 0.22 3
137.0421 0.78 12
138.0082 0.45 7
139.0222 4.49 68
140.0510 1.43 22
141.0326 18.12 274
142.0415 13.01 197
143.0500 17.31 262
144.0512 4.20 64
145.0631 8.67 131
146.0539 0.92 14
147.0817 5.02 76
148.0660 0.36 5
149.0805 1.24 19
150.0457 1.32 20
151.0509 3.66 55
152.0458 12.20 185
153.0513 12.50 189
154.0606 5.24 79
155.0680 16.38 248
156.0804 8.17 124
157.0853 13.79 209
157.5523 0.24 4
158.0868 3.14 48
158.5331 0.15 2
159.0976 4.08 62
160.0923 0.80 12
161.0921 1.13 17
162.0772 0.56 8
163.0631 2.64 40
164.0934 2.10 32
165.0738 25.41 384
166.0845 7.13 108
167.0946 14.14 214
168.1000 5.05 76
169.1027 12.86 195
170.1061 4.47 68
171.1102 7.92 120
172.1136 1.29 20
173.1220 4.24 64
174.0674 0.66 10
175.0913 1.48 22
176.0663 3.31 50
177.0830 2.85 43
178.0664 15.24 231
179.0732 19.62 297
180.0848 7.07 107
181.0858 13.48 204
182.0888 4.61 70
183.0910 9.39 142
184.0938 2.03 31
185.0944 3.01 46
186.0656 0.62 9
187.0717 1.81 27
188.0612 1.02 15
189.0484 9.90 150
190.0620 3.67 56
191.0646 12.69 192
192.0693 8.79 133
193.0731 16.74 253
194.0804 6.68 101
195.0882 12.39 187
196.0922 2.82 43
197.0954 5.85 89
198.0990 1.06 16
199.0831 1.84 28
200.0419 1.90 29
201.0845 2.16 33
202.0543 10.83 164
203.0634 9.96 151
204.0730 3.93 59
205.0745 10.33 156
206.0852 6.62 100
207.0920 13.15 199
208.1036 4.60 70
209.1042 7.48 113
210.1139 1.72 26
211.1053 3.16 48
212.1014 0.75 11
213.0850 3.21 49
214.1009 1.16 18
215.0767 11.00 166
216.0863 5.01 76
217.1006 9.82 149
218.1067 4.11 62
219.1161 9.70 147
220.1187 4.49 68
221.1348 7.97 121
222.1353 2.21 33
223.1436 4.20 64
224.1071 1.42 21
225.1409 1.84 28
226.0980 4.21 64
227.1195 3.48 53
228.1106 4.12 62
229.1147 8.97 136
230.1293 4.28 65
231.1326 8.80 133
232.1349 3.77 57
233.1420 7.86 119
234.1523 2.74 41
235.1470 4.57 69
236.1566 1.16 18
237.1418 2.80 42
238.1361 0.82 12
239.1059 6.01 91
240.1257 2.04 31
241.1123 5.19 79
242.1241 3.03 46
243.1289 7.36 111
244.1413 3.30 50
245.1439 7.00 106
246.1468 2.84 43
247.1559 5.34 81
248.1551 1.63 25
249.1721 3.22 49
250.1061 1.83 28
251.1604 2.03 31
252.1169 3.88 59
253.1265 4.44 67
254.1463 1.77 27
255.1485 4.86 74
256.1555 2.62 40
257.1569 5.73 87
258.1659 2.19 33
259.1752 4.72 71
260.1702 1.61 24
261.1713 3.34 51
262.1698 0.81 12
263.1436 3.17 48
264.1456 0.91 14
265.1390 3.90 59
266.1518 2.09 32
267.1679 4.95 75
268.1813 2.13 32
269.1744 4.75 72
270.1736 2.19 33
271.1879 3.79 57
272.1820 1.41 21
273.1965 2.87 43
274.1641 1.21 18
275.1938 1.81 27
276.1575 2.20 33
277.1759 2.47 37
278.1652 1.48 22
279.1723 3.47 52
280.1812 1.75 26
281.1992 4.50 68
282.1894 2.25 34
283.1932 3.28 50
284.1927 1.33 20
285.1985 2.86 43
286.1926 0.84 13
287.1870 2.26 34
288.1939 0.64 10
289.1518 2.86 43
290.1541 1.13 17
291.1699 2.16 33
292.1491 1.04 16
293.1772 2.81 43
294.1819 1.42 21
295.1854 3.11 47
296.1905 1.10 17
297.1915 2.19 33
298.1882 0.84 13
299.1926 1.83 28
300.1365 1.12 17
301.1738 1.63 25
302.1478 1.36 21
303.1515 2.09 32
304.1687 0.87 13
305.1581 2.22 34
306.1624 1.00 15
307.1714 2.76 42
308.1998 1.03 16
309.1825 1.92 29
310.1877 0.85 13
311.1797 1.59 24
312.2193 0.58 9
313.1555 1.87 28
314.1732 0.64 10
315.1542 1.50 23
316.1635 0.85 13
317.1655 2.09 32
318.1707 0.85 13
319.1836 2.52 38
320.1758 0.84 13
321.1772 1.76 27
322.1846 0.63 10
323.1908 1.31 20
324.1689 0.61 9
325.2036 1.07 16
326.1390 0.85 13
327.1801 1.15 17
328.1663 0.56 8
329.1913 1.62 25
330.1884 0.82 12
331.1948 2.03 31
332.2138 0.78 12
333.2151 2.96 45
334.2152 1.27 19
335.2020 1.60 24
336.1935 0.59 9
337.2133 1.03 16
338.2319 0.30 5
339.1808 0.99 15
340.1654 0.47 7
341.1844 0.91 14
342.1769 0.55 8
343.1902 1.27 19
344.1934 0.59 9
345.2086 1.97 30
346.2150 0.84 13
347.2216 2.18 33
348.2165 0.45 7
349.2263 0.83 13
350.2066 0.31 5
351.1930 0.65 10
352.2003 0.38 6
353.2019 0.77 12
354.1976 0.21 3
355.1875 0.76 11
356.2178 0.42 6
357.2184 1.22 18
358.2083 0.52 8
359.2339 1.65 25
360.2388 0.92 14
361.2363 0.83 13
362.2355 0.42 6
363.2274 0.68 10
364.2165 0.29 4
365.2339 0.52 8
366.2650 0.19 3
367.2142 0.48 7
368.2038 0.36 5
369.2501 0.68 10
370.2713 0.34 5
371.2553 1.16 18
372.2609 0.34 5
373.2557 1.27 19
374.2223 0.38 6
375.2382 0.60 9
376.2497 0.23 3
377.2823 0.40 6
378.2509 0.14 2
379.2658 0.46 7
380.2733 0.20 3
381.2244 0.46 7
382.2278 0.21 3
383.2313 0.53 8
384.2483 0.23 3
385.2445 0.80 12
386.2290 0.36 5
387.2718 0.52 8
387.7059 0.10 2
388.2520 0.21 3
388.6071 0.05 1
389.2741 0.43 7
390.1516 0.12 2
391.2604 0.29 4
392.2680 0.13 2
393.2562 0.30 5
394.2192 0.15 2
395.2555 0.64 10
396.2739 0.19 3
397.2701 0.37 6
398.2365 0.24 4
399.2717 0.52 8
400.2831 0.37 6
401.2663 0.49 7
402.3661 0.14 2
403.2404 0.34 5
404.2694 0.15 2
405.2700 0.31 5
406.3034 0.22 3
407.2908 0.29 4
408.2484 0.15 2
409.2912 0.53 8
410.3057 0.15 2
411.3024 0.54 8
412.2858 0.22 3
413.2574 0.41 6
413.7186 0.08 1
414.3470 0.17 3
415.2754 0.36 5
416.2652 0.17 3
417.2998 0.35 5
418.4018 0.11 2
419.3112 0.36 5
420.1935 0.13 2
421.2930 0.26 4
422.1374 0.14 2
423.2549 0.34 5
424.2413 0.29 4
425.2874 0.46 7
425.6665 0.10 2
426.3098 0.22 3
427.2621 0.24 4
429.1297 0.29 4
430.1897 0.15 2
431.3066 0.42 6
432.3370 0.14 2
433.2839 0.31 5
435.0898 0.30 5
436.3625 0.18 3
437.2784 0.36 5
438.3123 0.17 3
439.3269 0.30 5
441.3250 0.35 5
442.8331 0.48 7
444.2324 0.24 4
445.2579 0.37 6
446.3135 0.15 2
447.2645 0.33 5
447.7281 0.09 1
448.3053 0.18 3
449.3118 0.48 7
450.2646 0.12 2
451.3161 0.29 4
451.7634 0.10 2
452.4022 0.18 3
453.1876 0.14 2
455.2753 0.29 4
455.5905 0.14 2
456.3496 0.15 2
457.3238 0.72 11
457.6571 0.23 3
458.4102 0.21 3
459.3279 1.13 17
460.3069 0.19 3
461.2620 0.37 6
462.2874 0.23 3
463.3100 0.58 9
464.3207 0.57 9
465.3120 0.31 5
466.3378 0.19 3
467.3681 0.10 2
469.1449 0.26 4
470.3235 0.21 3
471.3273 0.32 5
472.3610 2.27 34
473.3424 0.30 5
475.3295 0.46 7
476.3021 0.17 3
477.3018 0.50 8
478.3255 0.25 4
479.3403 0.74 11
479.8687 0.09 1
480.3431 0.12 2
481.3206 0.07 1
482.0062 0.05 1
483.3724 0.15 2
484.3829 0.22 3
485.3561 0.23 3
486.4102 0.09 1
487.2564 0.17 3
487.5390 0.09 1
489.2063 0.40 6
490.4565 0.18 3
491.3419 0.25 4
492.3484 0.19 3
493.3222 0.36 5
494.3693 0.13 2
495.2863 0.13 2
496.3500 0.11 2
499.1869 0.16 2
500.1371 0.11 2
501.3193 0.29 4
503.1093 0.22 3
504.3337 0.26 4
505.3651 0.55 8
506.3261 0.29 4
506.7244 0.14 2
507.3846 0.23 3
508.3571 0.28 4
509.2711 0.09 1
510.4733 0.10 2
511.2514 0.07 1
511.8160 0.08 1
513.3963 0.14 2
513.6921 0.08 1
514.2925 0.07 1
515.2949 0.27 4
516.2885 0.22 3
517.4224 0.17 3
518.4011 0.16 2
519.4082 0.50 8
520.4213 0.65 10
521.3613 0.37 6
525.0844 0.43 7
531.1705 4.14 63
531.9496 0.28 4
533.3747 0.77 12
534.3572 0.68 10
535.3024 0.39 6
536.4734 0.18 3
546.4074 6.39 97
549.3766 66.03 999
550.3674 1.75 26
564.3118 99.97 999
567.3626 2.06 31
568.1418 1.14 17
569.1110 0.55 8
570.6307 0.22 3
572.0622 0.12 2
//
