MassBank Record: MSBNK-Kyoto_Univ-CA000107
ACCESSION: MSBNK-Kyoto_Univ-CA000107
RECORD_TITLE: Zeaxanthin; 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] CA000107.jpg
CH$NAME: Zeaxanthin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C40H56O2
CH$EXACT_MASS: 568.42803
CH$SMILES: C(=CC=C(C=CC=C(C)C=CC(=C(C)2)C(C)(C)CC(C2)O)C)C=C(C=CC=C(C)C=CC(=C(C)1)C(C)(C)CC(C1)O)C
CH$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/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1
CH$LINK: CAS
144-68-3
CH$LINK: CHEBI
27547
CH$LINK: KEGG
C06098
CH$LINK: LIPIDBANK
VCA0007
CH$LINK: PUBCHEM 8363
CH$LINK: INCHIKEY
JKQXZKUSFCKOGQ-QAYBQHTQSA-N
CH$LINK: COMPTOX
DTXSID5046807
AC$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 476.3185
MS$FOCUSED_ION: PRECURSOR_M/Z 568.43
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+*
MS$DATA_PROCESSING: RELATIVE_M/Z normalised by peak(m/z=476.3185). set 999 for peak(m/z=568.3062,rel=3451).
PK$SPLASH: splash10-014i-2920020000-6e0964e9063b971fd865
PK$NUM_PEAK: 580
PK$PEAK: m/z int. rel.int.
12.0230 0.01 0
13.0074 0.01 0
14.0380 0.02 1
15.0388 0.16 6
16.0461 0.01 0
19.0465 0.01 0
23.0143 0.01 0
25.0239 0.01 0
26.0386 0.17 6
27.0448 1.56 54
28.0484 0.16 6
29.0524 2.07 71
30.0269 0.02 1
31.0298 0.29 10
36.2210 0.01 0
37.0270 0.11 4
37.6381 0.01 0
38.0308 0.28 10
38.3830 0.01 0
38.6289 0.01 0
39.0434 2.87 99
39.4213 0.01 0
40.0430 0.23 8
41.0478 5.69 196
42.0583 0.12 4
43.0385 4.06 140
43.4565 0.01 0
44.0503 0.11 4
45.0382 0.19 7
49.0330 0.03 1
50.0157 0.50 17
50.3833 0.01 0
50.6296 0.01 0
51.0208 1.29 45
52.0215 0.41 14
52.5111 0.01 0
53.0223 2.44 84
54.0353 0.11 4
54.5767 0.01 0
55.0275 6.88 237
56.0214 0.10 3
57.0362 4.37 151
58.0076 0.04 1
58.2512 0.01 0
59.0241 0.70 24
60.0022 0.01 0
61.0525 0.07 2
62.0142 0.40 14
62.5053 0.01 0
63.0115 1.15 40
63.4834 0.02 1
64.0118 0.27 9
65.0149 2.27 78
65.4192 0.01 0
66.0149 0.39 13
67.0200 4.47 154
68.0181 0.17 6
69.0247 5.90 204
70.0495 0.06 2
70.3656 0.01 0
71.0087 1.40 48
71.5583 0.01 0
72.0674 0.02 1
72.5152 0.01 0
73.0186 0.07 2
74.0047 0.34 12
74.4947 0.02 1
75.0137 0.56 19
75.5236 0.03 1
76.0073 0.34 12
76.3248 0.05 2
77.0139 8.36 289
78.0148 1.62 56
79.0262 8.31 287
80.0281 0.93 32
81.0304 9.75 337
81.6599 0.01 0
82.0279 0.21 7
83.0382 3.29 114
84.0310 0.07 2
84.3431 0.01 0
85.0252 5.30 183
86.0231 0.19 7
86.5072 0.01 0
87.0147 0.25 9
88.0176 0.11 4
89.0319 1.03 36
90.0449 0.43 15
91.0409 19.43 671
92.0354 1.77 61
93.0489 13.92 481
94.0513 0.88 30
95.0564 8.85 305
95.7016 0.05 2
96.0376 0.30 10
96.5621 0.04 1
97.0560 0.93 32
97.5777 0.01 0
98.0217 0.13 4
98.4375 0.02 1
99.0533 0.20 7
100.0347 0.07 2
101.0351 0.29 10
101.3458 0.06 2
102.0439 1.09 38
103.0506 3.40 117
104.0435 1.56 54
105.0513 26.42 912
106.0437 2.59 89
107.0608 12.95 447
108.0560 0.85 29
109.0609 6.55 226
109.5546 0.08 3
110.0634 0.27 9
111.0410 0.89 31
111.5297 0.02 1
111.7122 0.01 0
112.0481 0.04 1
113.0342 0.31 11
114.0244 0.40 14
115.0390 9.79 338
116.0282 3.76 130
117.0391 10.28 355
118.0394 1.96 68
119.0398 28.12 971
120.0456 3.01 104
121.0489 9.38 324
122.0237 0.51 18
123.0392 2.17 75
124.0438 0.15 5
125.0497 0.42 14
126.0380 0.44 15
127.0370 3.80 131
128.0278 11.19 386
129.0252 13.84 478
130.0225 5.27 182
131.0320 15.77 544
132.0330 2.71 94
133.0367 14.33 495
134.0442 1.43 49
135.0378 6.45 223
135.9949 0.48 17
137.0262 1.46 50
137.9840 0.21 7
139.0216 1.49 51
140.0397 0.59 20
141.0283 9.61 332
142.0318 9.66 333
143.0336 17.62 608
144.0406 5.71 197
145.0486 19.15 661
146.0506 1.79 62
147.0633 6.30 217
148.0394 0.65 22
149.0681 3.71 128
150.0390 0.37 13
151.0822 1.55 54
152.0605 3.95 136
153.0607 5.58 193
154.0702 2.89 100
155.0652 10.71 370
156.0723 7.74 267
157.0788 16.90 583
158.0848 3.76 130
159.1015 10.59 366
160.1007 1.51 52
161.0965 3.26 113
162.0917 0.44 15
163.1103 1.52 52
164.0901 0.75 26
165.0905 8.70 300
166.0958 3.19 110
167.0977 7.66 264
168.0945 3.52 122
169.1070 11.55 399
170.1075 4.54 157
171.1116 9.39 324
172.1107 1.88 65
173.1205 6.24 215
174.1139 0.71 25
175.1293 3.97 137
176.0843 0.90 31
177.0911 1.50 52
178.0901 4.73 163
179.0869 7.76 268
180.0885 3.38 117
181.0952 9.07 313
182.0953 3.46 119
183.0960 10.32 356
184.0974 2.43 84
185.1022 5.16 178
186.1063 1.04 36
187.1023 2.49 86
188.0804 0.47 16
189.0833 2.96 102
190.0811 1.13 39
191.0781 3.36 116
192.0813 3.40 117
193.0823 6.66 230
194.0780 3.55 123
195.0815 9.78 338
196.0942 2.74 95
197.0974 7.87 272
198.0853 1.08 37
199.0967 2.62 90
200.0582 0.60 21
201.0952 2.09 72
202.0721 2.57 89
203.0842 3.31 114
204.0910 1.43 49
205.0853 3.60 124
206.0816 2.76 95
207.0870 6.02 208
208.1030 2.72 94
209.0964 6.97 241
210.1003 1.57 54
210.5380 0.13 4
211.1178 3.21 111
212.1010 0.59 20
213.1296 1.41 49
214.1180 0.42 14
215.0996 2.91 100
216.1063 1.40 48
217.1091 3.38 117
218.1138 1.42 49
219.1161 3.81 132
220.1245 1.83 63
221.1218 4.19 145
222.1355 1.24 43
223.1409 2.97 103
224.1570 0.85 29
225.1515 1.77 61
226.1640 0.75 26
227.1316 1.13 39
228.1449 1.02 35
229.1298 2.42 84
230.1171 1.01 35
231.1282 2.68 93
232.1441 1.45 50
233.1457 3.30 114
234.1594 1.21 42
235.1501 2.96 102
236.1558 0.73 25
237.1604 1.88 65
238.1712 0.52 18
239.1633 1.58 55
240.1529 0.55 19
241.1487 1.36 47
242.1170 0.65 22
243.1472 1.88 65
244.1601 0.97 33
245.1499 2.09 72
246.1415 1.12 39
247.1643 2.63 91
248.1815 0.70 24
249.1830 1.89 65
250.1774 0.51 18
251.1795 1.11 38
252.1628 0.66 23
253.1581 1.10 38
254.1920 0.49 17
255.1806 1.70 59
256.1694 0.76 26
257.1790 1.71 59
258.1801 0.89 31
259.1786 1.95 67
260.1803 0.72 25
261.1823 1.91 66
262.1890 0.62 21
263.2034 1.37 47
264.1754 0.26 9
265.1830 0.89 31
266.1127 0.46 16
267.1887 1.02 35
268.1898 0.50 17
269.1867 1.47 51
270.1618 0.57 20
271.2079 1.29 45
272.1865 0.56 19
273.1880 1.02 35
274.1942 0.44 15
275.2153 1.00 35
276.2117 0.44 15
277.2231 0.68 23
278.2303 0.34 12
279.2009 0.75 26
280.1525 0.34 12
281.1989 0.93 32
282.1909 0.41 14
283.2083 1.40 48
284.1815 0.61 21
285.2112 1.26 43
286.2012 0.46 16
287.1944 0.94 32
288.2352 0.28 10
289.2037 0.64 22
290.2064 0.30 10
291.2137 0.48 17
292.1591 0.30 10
293.2321 0.53 18
294.1705 0.21 7
295.2129 0.78 27
296.1888 0.43 15
297.1945 1.06 37
298.1975 0.53 18
299.1992 0.65 22
300.2249 0.29 10
301.2256 0.59 20
302.2339 0.27 9
303.2098 0.53 18
304.2097 0.27 9
305.1830 0.47 16
306.1774 0.29 10
307.2164 0.53 18
308.1592 0.20 7
309.1838 0.55 19
310.2280 0.37 13
311.1906 0.48 17
312.1802 0.27 9
313.1863 0.41 14
314.1912 0.21 7
315.2096 0.46 16
316.1732 0.21 7
317.2277 0.51 18
318.2095 0.24 8
319.2094 0.43 15
320.2094 0.23 8
321.2528 0.60 21
322.2755 0.25 9
323.2479 0.34 12
324.2054 0.17 6
325.2302 0.27 9
326.2373 0.18 6
327.1984 0.34 12
328.2625 0.17 6
329.2239 0.39 13
330.2347 0.17 6
331.2636 0.40 14
332.2184 0.19 7
333.2443 0.53 18
334.2734 0.15 5
335.2445 0.62 21
336.2546 0.35 12
337.2529 0.60 21
338.3036 0.26 9
339.2828 0.17 6
340.2787 0.13 4
341.2403 0.21 7
342.2693 0.18 6
343.1865 0.31 11
344.1949 0.21 7
345.2363 0.53 18
346.2211 0.22 8
347.2733 0.54 19
348.2166 0.42 14
349.2616 0.74 26
350.2440 0.33 11
351.2655 0.45 16
352.2064 0.20 7
353.2192 0.23 8
353.6614 0.05 2
354.2963 0.14 5
355.3124 0.21 7
356.2419 0.19 7
357.2673 0.38 13
358.3077 0.23 8
359.2484 0.45 16
360.2025 0.24 8
361.2791 0.60 21
362.2587 0.81 28
363.3028 0.46 16
364.3036 0.39 13
365.2912 0.17 6
366.2012 0.05 2
367.3086 0.09 3
367.6927 0.05 2
368.3055 0.06 2
369.2278 0.19 7
370.2056 0.13 4
371.2732 0.25 9
372.1914 0.31 11
373.2540 0.73 25
374.2698 0.23 8
375.2498 0.85 29
376.2555 0.36 12
377.2298 0.20 7
377.7484 0.02 1
378.2566 0.07 2
379.2775 0.11 4
379.6004 0.06 2
380.3450 0.09 3
381.2869 0.12 4
382.2439 0.07 2
383.3192 0.13 4
384.2166 0.10 3
384.6100 0.05 2
385.2668 0.20 7
386.2213 0.13 4
387.2567 0.46 16
388.2503 0.47 16
389.1917 0.69 24
390.2394 0.11 4
391.2513 0.16 6
392.2484 0.06 2
393.2831 0.17 6
394.3658 0.07 2
395.3108 0.10 3
395.8949 0.05 2
396.4626 0.09 3
397.3315 0.11 4
398.2139 0.09 3
399.3122 0.35 12
400.2023 0.14 5
401.2288 1.05 36
402.2765 0.45 16
403.2614 0.58 20
404.2972 0.19 7
405.2194 0.11 4
406.3090 0.07 2
406.6877 0.01 0
407.2655 0.07 2
408.3164 0.06 2
409.3271 0.07 2
410.3243 0.50 17
411.3950 0.09 3
411.7410 0.04 1
412.2547 0.07 2
413.3151 0.25 9
414.2798 0.30 10
415.2641 1.17 40
416.2634 0.42 14
417.2509 0.91 31
418.2564 0.18 6
419.2845 0.06 2
420.2558 0.05 2
421.3872 0.09 3
421.7271 0.02 1
422.2451 0.09 3
423.2963 0.22 8
424.2443 0.12 4
425.2477 0.09 3
426.1330 0.08 3
427.2415 0.19 7
428.3006 0.76 26
429.3224 0.29 10
430.1586 0.11 4
431.2046 0.38 13
432.2866 0.17 6
433.2084 0.20 7
433.7809 0.10 3
434.3850 0.07 2
435.2935 0.08 3
436.2395 0.15 5
437.3206 0.14 5
438.3627 0.10 3
441.1163 0.32 11
442.3418 0.18 6
443.7910 0.13 4
446.6989 0.44 15
448.2072 0.19 7
449.2623 0.21 7
450.4647 0.11 4
451.3744 0.11 4
452.3622 0.09 3
454.5154 0.22 8
457.7891 0.28 10
459.9484 0.20 7
461.3882 0.51 18
462.2851 0.64 22
463.0891 0.15 5
463.5721 0.09 3
464.6432 0.04 1
465.3708 0.11 4
466.0970 0.11 4
467.3319 0.08 3
468.2982 0.39 13
469.0951 0.10 3
469.4718 0.05 2
470.1997 0.10 3
470.8571 0.08 3
471.3869 0.06 2
472.2710 0.12 4
474.3396 0.31 11
476.3185 28.94 999
477.3380 0.32 11
478.0018 0.20 7
479.1311 0.14 5
479.9571 0.10 3
480.4513 0.11 4
481.2834 0.16 6
482.2703 0.16 6
483.3653 0.10 3
484.2935 0.06 2
484.5875 0.03 1
485.0764 0.03 1
486.1007 0.06 2
486.4112 0.03 1
487.3891 0.19 7
488.3221 0.53 18
489.3301 0.76 26
490.2497 0.06 2
490.8258 0.01 0
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492.1881 0.08 3
493.3375 0.16 6
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496.5640 0.06 2
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498.9520 0.02 1
499.3558 0.03 1
499.8737 0.02 1
500.3121 0.03 1
501.0132 0.02 1
501.5536 0.01 0
502.0911 0.03 1
502.3253 0.01 0
502.7938 0.01 0
503.1556 0.02 1
504.2202 0.07 2
504.5491 0.02 1
505.2954 0.06 2
506.2520 0.08 3
506.6199 0.04 1
507.2732 0.26 9
508.1819 0.33 11
508.4297 0.17 6
509.3159 0.13 4
510.2353 0.26 9
511.2036 0.08 3
511.6908 0.04 1
512.3444 0.13 4
512.5843 0.07 2
513.4028 0.05 2
514.1674 0.04 1
514.7657 0.01 0
514.9636 0.01 0
515.4449 0.03 1
515.8707 0.04 1
516.1361 0.03 1
516.5410 0.02 1
517.1378 0.04 1
517.5082 0.08 3
518.0225 0.02 1
518.3015 0.04 1
519.3392 0.07 2
520.2196 0.14 5
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522.1890 0.32 11
523.1955 0.55 19
524.2336 0.63 22
525.2792 0.07 2
526.2829 0.09 3
527.0841 0.08 3
527.8163 0.05 2
528.7122 0.04 1
529.8105 0.07 2
530.8580 0.06 2
531.3908 0.09 3
532.3258 0.06 2
532.7581 0.05 2
533.3344 0.06 2
534.2800 0.16 6
535.4028 0.35 12
536.2809 0.39 13
537.2792 0.23 8
538.2220 0.56 19
539.1288 0.84 29
540.1153 0.17 6
541.4381 0.12 4
550.3956 4.96 171
551.3301 1.23 42
552.2345 2.68 93
553.3339 6.38 220
568.3062 99.97 999
571.4632 6.08 210
573.0637 1.70 59
//
