MassBank Record: MSBNK-Kyoto_Univ-CA000075
ACCESSION: MSBNK-Kyoto_Univ-CA000075
RECORD_TITLE: Luteoxanthin; FAB-EBEB; MS2; m/z: 600.42; [M]+*
DATE: 2016.01.19 (Created 2007.12.03, 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
COMMENT: Profile spectrum of this record is given as a JPEG file.
COMMENT: [Profile] CA000075.jpg
CH$NAME: Luteoxanthin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C40H56O4
CH$EXACT_MASS: 600.41786
CH$SMILES: C(O4)(C=C(C34C)C(CC(C3)O)(C)C)C(C)=CC=CC(=CC=CC=C(C=CC=C(C=CC(O2)(C2(C)1)C(CC(C1)O)(C)C)C)C)C
CH$IUPAC: InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-40-37(7,8)25-33(42)27-39(40,10)44-40)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)26-38(35,9)43-34/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34?,38+,39+,40-/m0/s1
CH$LINK: CAS
1912-50-1
CH$LINK: INCHIKEY
YNNRPBRNWWIQPQ-MAAFUUECSA-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$FOCUSED_ION: BASE_PEAK 43.0175
MS$FOCUSED_ION: PRECURSOR_M/Z 600.42
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+*
MS$DATA_PROCESSING: RELATIVE_M/Z normalised by peak(m/z=43.0175). set 999 for peak(m/z=600.3367,rel=1951).
PK$SPLASH: splash10-0udl-3920001000-2a4bbb241f89e3621749
PK$NUM_PEAK: 576
PK$PEAK: m/z int. rel.int.
12.9988 0.01 0
14.0136 0.03 1
15.0204 0.33 6
17.8980 0.01 0
18.9943 0.02 0
22.9864 0.02 0
25.0106 0.02 0
26.0103 0.30 6
27.0171 2.18 43
28.0218 0.23 4
29.0265 2.65 52
30.0087 0.04 1
31.0106 0.37 7
35.0363 0.01 0
36.0730 0.01 0
36.2641 0.01 0
37.0066 0.17 3
38.0050 0.65 13
38.3461 0.01 0
39.0197 5.85 114
39.6084 0.01 0
40.0281 0.74 14
41.0359 12.89 252
42.0306 0.54 11
43.0175 51.18 999
44.0228 0.47 9
45.0299 0.68 13
45.6562 0.01 0
45.9715 0.01 0
47.0162 0.02 0
47.7715 0.01 0
47.9957 0.01 0
49.0092 0.07 1
49.3442 0.01 0
50.0093 1.22 24
51.0189 3.28 64
52.0264 1.41 28
52.3981 0.01 0
53.0325 6.55 128
54.0406 0.38 7
55.0447 14.54 284
56.0493 0.45 9
57.0639 11.40 223
57.7310 0.01 0
58.0544 0.24 5
59.0460 2.50 49
60.0829 0.04 1
61.0136 0.25 5
62.0161 0.80 16
63.0271 2.45 48
64.0288 0.57 11
65.0371 4.95 97
66.0459 1.09 21
67.0486 9.13 178
68.0552 0.50 10
69.0504 11.90 232
70.0493 0.57 11
71.0390 4.00 78
71.7119 0.01 0
72.0386 0.05 1
73.0146 0.15 3
73.4993 0.02 0
74.0095 0.53 10
75.0440 0.88 17
76.0155 0.59 12
77.0332 13.79 269
78.0462 2.91 57
79.0466 13.39 261
80.0434 2.29 45
81.0591 12.87 251
82.0458 0.76 15
83.0593 8.26 161
84.0623 0.26 5
85.0586 9.80 191
85.5410 0.03 1
86.0294 0.36 7
87.0443 6.72 131
88.0322 0.23 4
89.0361 1.26 25
89.3501 0.14 3
90.0507 0.53 10
91.0582 28.06 548
92.0681 2.78 54
93.0764 21.46 419
94.0787 1.60 31
95.0804 17.33 338
96.0712 1.35 26
97.0711 2.98 58
97.5257 0.02 0
98.0469 0.32 6
99.0745 0.54 11
100.0336 0.10 2
101.0806 0.60 12
102.0561 1.23 24
103.0627 4.84 94
104.0671 2.04 40
105.0789 32.83 641
106.0843 3.46 68
107.0901 15.60 305
108.0891 1.89 37
109.0892 12.18 238
110.0911 0.70 14
111.0764 2.08 41
111.5859 0.02 0
112.0732 0.14 3
113.0787 1.41 28
114.0490 0.48 9
115.0507 12.75 249
116.0582 4.70 92
117.0631 12.71 248
118.0695 2.70 53
119.0745 28.91 564
120.0811 3.54 69
121.0792 15.21 297
122.0672 2.71 53
123.0695 10.60 207
124.0632 0.99 19
125.0496 13.03 254
126.0286 0.87 17
127.0437 4.48 87
128.0470 13.89 271
129.0503 16.92 330
130.0577 6.70 131
131.0636 17.85 348
132.0663 3.87 76
133.0717 15.89 310
133.5159 0.20 4
134.0682 2.36 46
135.0629 11.06 216
136.0662 5.10 100
137.0575 5.14 100
138.0388 0.43 8
139.0388 2.36 46
140.0561 0.70 14
141.0407 11.59 226
142.0529 10.44 204
143.0588 20.08 392
144.0673 6.78 132
145.0754 22.85 446
146.0727 3.23 63
147.0725 12.12 237
148.0703 1.47 29
149.0721 6.51 127
150.0719 1.24 24
151.0638 12.93 252
152.0641 5.73 112
153.0623 6.76 132
154.0719 3.45 67
155.0809 13.02 254
156.0879 8.74 171
157.0988 20.66 403
158.0971 4.25 83
159.1098 14.00 273
160.1069 2.33 45
161.1049 6.37 124
162.1067 2.17 42
163.1123 6.21 121
164.1053 1.23 24
165.0915 17.61 344
166.0936 3.77 74
167.1025 8.46 165
168.1168 3.78 74
169.1212 12.17 238
170.1325 4.99 97
171.1359 12.19 238
172.1303 2.99 58
173.1346 7.22 141
174.1305 1.55 30
175.1302 5.88 115
176.1125 1.27 25
177.1166 2.54 50
178.0896 5.37 105
179.1027 9.42 184
180.1180 9.85 192
181.1204 20.38 398
182.1173 4.43 86
183.1241 11.57 226
184.1254 3.05 60
185.1228 7.47 146
186.1255 2.13 42
187.1242 4.22 82
188.1143 1.11 22
189.1097 5.45 106
190.1225 2.70 53
191.1008 5.19 101
192.1010 3.48 68
193.1110 12.66 247
194.1063 4.09 80
195.1099 10.30 201
196.1125 3.35 65
197.1187 9.04 176
198.1179 2.32 45
199.1268 5.05 99
200.1148 1.31 26
201.1172 2.65 52
202.0817 2.42 47
203.1035 4.39 86
204.0952 1.26 25
205.0982 3.92 77
206.1063 2.86 56
207.1165 8.79 172
208.1256 4.34 85
209.1199 7.33 143
210.1192 2.38 46
211.1330 5.79 113
212.1365 1.64 32
213.1281 3.37 66
214.1572 0.84 16
215.1111 3.76 73
216.1212 1.43 28
217.1162 3.25 63
218.1256 1.39 27
219.1355 4.81 94
220.1474 2.13 42
221.1582 15.88 310
222.1478 2.11 41
223.1626 4.21 82
224.1624 1.55 30
225.1657 2.77 54
226.1476 1.02 20
227.1642 1.89 37
228.1439 1.11 22
229.1473 2.85 56
230.1559 1.05 20
231.1601 3.24 63
232.1633 1.67 33
233.1765 4.00 78
234.1814 3.39 66
235.1757 3.36 66
236.1735 1.08 21
237.1795 3.16 62
238.1905 1.30 25
239.1755 2.35 46
240.2123 2.41 47
241.1652 1.71 33
242.1918 0.73 14
243.1642 1.87 37
244.1713 0.90 18
245.1725 2.38 46
246.1834 1.27 25
247.1916 4.56 89
248.1783 1.06 21
249.1950 2.27 44
250.1932 0.89 17
251.1981 1.83 36
252.1846 0.98 19
253.1839 1.69 33
254.1835 0.56 11
255.1819 1.33 26
256.1916 0.57 11
257.1828 1.86 36
258.1806 0.87 17
259.2069 2.25 44
260.1844 0.73 14
261.1983 1.89 37
262.2110 0.61 12
263.2051 1.74 34
264.2121 0.89 17
265.2037 1.40 27
266.2113 0.54 11
267.2098 1.13 22
268.2086 0.76 15
269.2187 1.35 26
270.2133 0.51 10
271.2209 2.68 52
272.2255 1.18 23
273.2226 1.67 33
274.2468 1.64 32
275.2255 1.28 25
276.2282 0.44 9
277.2248 1.23 24
278.2484 0.47 9
279.2421 0.95 19
280.2329 0.24 5
281.2287 1.11 22
282.2310 0.42 8
283.2353 1.30 25
284.2461 0.69 13
285.2492 1.97 38
286.2463 1.90 37
287.2548 2.83 55
288.2587 0.41 8
289.2550 0.90 18
290.2642 0.39 8
291.2562 0.96 19
292.2185 0.33 6
293.2411 0.80 16
294.2380 0.29 6
295.2374 0.71 14
296.2418 0.33 6
297.2416 1.50 29
298.2496 1.07 21
299.2484 4.54 89
300.2331 0.78 15
301.2387 0.72 14
302.2460 0.21 4
303.2251 0.59 12
304.2155 0.37 7
305.2204 0.52 10
306.2207 0.18 4
307.2133 0.63 12
308.2331 0.21 4
309.2341 0.95 19
310.2575 0.36 7
311.2383 1.49 29
312.2621 1.31 26
313.2481 1.29 25
314.2312 0.22 4
315.2477 0.46 9
316.2232 0.21 4
317.2418 0.51 10
318.2367 0.26 5
319.2462 0.70 14
320.2574 0.41 8
321.2402 0.57 11
322.2423 0.25 5
323.2446 0.72 14
324.2662 0.38 7
325.2482 3.12 61
326.2511 0.41 8
327.2621 0.55 11
328.2177 0.15 3
329.2577 0.29 6
330.2916 0.19 4
331.2461 0.43 8
331.6613 0.08 2
332.2581 0.24 5
333.2463 0.49 10
334.2905 0.32 6
335.2617 0.67 13
336.2855 0.50 10
337.2570 1.35 26
338.2826 0.43 8
339.3049 0.46 9
340.2940 1.11 22
341.2355 0.22 4
342.2393 0.13 3
343.2448 0.18 4
344.2266 0.11 2
344.6658 0.04 1
345.2738 0.31 6
345.6908 0.06 1
346.2559 0.24 5
347.2430 0.41 8
348.2716 0.32 6
349.2813 0.67 13
350.2943 0.41 8
351.2869 1.51 29
352.2859 23.12 451
353.2931 1.28 25
353.7616 0.08 2
354.2988 0.12 2
355.2776 0.22 4
356.2597 0.12 2
357.2851 0.21 4
358.2499 0.09 2
359.2676 0.29 6
360.2791 0.20 4
361.2827 0.51 10
362.3264 0.42 8
363.2936 0.77 15
364.3105 0.64 12
365.3019 3.65 71
366.3172 0.62 12
367.3083 0.37 7
368.2772 0.10 2
369.2670 0.18 4
369.7507 0.03 1
370.2776 0.07 1
371.2086 0.18 4
372.2611 0.13 3
373.3105 0.31 6
374.3074 0.31 6
375.3076 0.48 9
376.3176 0.51 10
377.3244 1.04 20
378.3315 0.63 12
379.3274 1.02 20
380.3379 0.13 3
381.3295 0.08 2
382.3005 0.05 1
383.2891 0.08 2
385.1756 0.20 4
386.3388 0.08 2
387.3040 0.46 9
388.3508 0.20 4
389.3306 0.51 10
389.8165 0.06 1
390.3473 0.62 12
391.3305 1.54 30
392.3267 0.97 19
393.3405 0.12 2
393.7324 0.04 1
394.3641 0.07 1
395.2967 0.09 2
397.3253 0.09 2
399.3160 0.18 4
400.2523 0.30 6
401.3040 0.29 6
402.3798 0.31 6
403.3373 0.63 12
403.8129 0.07 1
404.3301 0.53 10
405.3518 1.26 25
406.3609 0.12 2
407.2980 0.10 2
407.7145 0.03 1
408.2816 0.04 1
409.3375 0.08 2
409.8310 0.07 1
410.4592 0.05 1
411.3486 0.13 3
412.2413 0.05 1
413.3354 0.13 3
414.2853 0.08 2
415.2897 0.19 4
416.3742 0.12 2
417.3597 0.54 11
418.3645 2.00 39
419.3726 3.37 66
420.3727 3.74 73
421.3266 0.12 2
422.2165 0.07 1
423.2346 0.08 2
424.2384 0.06 1
425.2919 0.15 3
426.3936 0.13 3
427.3705 0.36 7
428.3795 0.17 3
429.3518 0.26 5
430.3399 0.14 3
431.3689 0.16 3
432.3756 0.12 2
433.3584 0.63 12
434.3477 0.09 2
434.8727 0.02 0
435.3658 0.12 2
436.2464 0.04 1
437.3817 0.07 1
438.3857 0.09 2
439.3723 0.20 4
440.3541 0.40 8
441.3889 0.16 3
442.3453 0.83 16
443.3370 0.12 2
444.3881 0.18 4
445.3592 0.40 8
445.7358 0.07 1
446.3993 0.17 3
447.3658 0.34 7
448.3563 1.72 34
449.3197 0.18 4
450.1389 0.04 1
450.5798 0.04 1
451.3751 0.06 1
451.6300 0.03 1
452.2746 0.04 1
453.3571 0.29 6
454.3658 4.86 95
455.3474 0.30 6
456.4205 0.12 2
457.3894 0.20 4
458.3857 0.05 1
459.3628 0.09 2
460.3094 0.06 1
461.3236 0.14 3
461.6911 0.06 1
462.3989 0.07 1
463.3811 0.13 3
463.7664 0.05 1
464.4373 0.11 2
465.3491 0.08 2
466.4253 0.08 2
467.3599 0.15 3
468.3827 0.12 2
469.3590 0.11 2
470.4525 0.08 2
471.4387 0.21 4
472.4201 0.14 3
473.3808 0.56 11
474.2966 0.09 2
475.3184 0.16 3
475.7948 0.06 1
477.4583 0.19 4
478.3841 0.08 2
479.3869 0.16 3
480.3738 0.44 9
481.3944 1.26 25
483.4102 0.19 4
485.1406 0.33 6
486.2483 0.15 3
487.4412 0.26 5
489.4659 0.18 4
490.8679 0.31 6
492.3582 0.15 3
493.3959 0.39 8
494.4136 0.43 8
495.4096 0.08 2
496.3961 0.10 2
497.4356 0.08 2
498.4624 0.11 2
499.4683 0.33 6
502.4673 0.62 12
505.4044 0.77 15
506.4237 0.48 9
507.4302 3.40 66
508.4400 2.19 43
509.4065 0.10 2
510.3409 0.06 1
511.3942 0.09 2
512.5247 0.08 2
513.4144 0.10 2
514.4631 0.25 5
515.4011 0.19 4
516.4227 0.10 2
516.8387 0.05 1
520.4549 31.40 613
521.4594 0.56 11
522.0298 0.13 3
523.3440 0.07 1
524.4675 0.06 1
525.4437 0.10 2
526.4311 0.41 8
527.4988 0.09 2
528.4094 0.06 1
529.4723 0.05 1
530.4199 0.03 1
531.4589 0.03 1
532.3729 0.06 1
532.6616 0.02 0
533.2485 0.04 1
534.3984 0.04 1
534.9806 0.05 1
535.5483 0.05 1
535.9862 0.02 0
536.5091 0.03 1
537.3576 0.06 1
537.8276 0.02 0
538.5944 0.04 1
539.5280 0.12 2
540.4633 0.10 2
541.4741 0.13 3
542.4481 0.47 9
543.3867 0.16 3
544.2997 0.11 2
545.3781 0.06 1
546.3138 0.08 2
547.4083 0.04 1
548.3264 0.05 1
548.7581 0.03 1
549.5078 0.05 1
550.0856 0.03 1
551.3971 0.05 1
552.2688 0.04 1
553.3573 0.08 2
554.5486 0.09 2
555.5024 0.37 7
556.5526 0.26 5
557.4614 0.37 7
558.3591 0.13 3
559.4753 0.09 2
559.9057 0.07 1
560.8131 0.09 2
564.0128 0.16 3
565.6818 0.13 3
567.4510 0.37 7
568.4279 0.13 3
569.4562 0.23 4
570.5182 0.40 8
571.5692 0.28 5
572.5447 0.36 7
582.5383 8.26 161
583.5240 2.07 40
585.4570 13.99 273
600.3367 99.97 999
604.6078 1.95 38
//
