MassBank Record: MSBNK-Kyoto_Univ-CA000066
ACCESSION: MSBNK-Kyoto_Univ-CA000066
RECORD_TITLE: Loroxanthin; FAB-EBEB; MS2; m/z: 584.42; [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, Yasuhiro Fujiwara, Keiji Hashimoto, and Naoshige Akimoto, Carotenoids in Three Species of Corbicula Clams, Corbicula japonica, Corbicula sandai, and Corbicula sp. (Chinese Freshwater Corbicula Clam), J. Agric. Food Chem., 53, 8357-8364 (2005).
COMMENT: Profile spectrum of this record is given as a JPEG file.
COMMENT: [Profile] CA000066.jpg
CH$NAME: Loroxanthin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C40H56O3
CH$EXACT_MASS: 584.42295
CH$SMILES: C(=CC(C)=CC=CC=C(C=CC=C(C)C=CC(C2(C)C)C(C)=CC(O)C2)C)C=C(C=CC(=C(C)1)C(C)(C)CC(O)C1)CO
CH$IUPAC: InChI=1S/C40H56O3/c1-29(16-12-17-31(3)20-22-37-32(4)24-35(42)26-39(37,6)7)14-10-11-15-30(2)18-13-19-34(28-41)21-23-38-33(5)25-36(43)27-40(38,8)9/h10-24,35-37,41-43H,25-28H2,1-9H3/b11-10+,16-12+,18-13+,22-20+,23-21+,29-14+,30-15+,31-17+,34-19-/t35-,36+,37-/m0/s1
CH$LINK: CAS
27637-71-4
CH$LINK: LIPIDBANK
VCA1074
CH$LINK: INCHIKEY
ODGGKCNQKSEQNL-CWBMHJDKSA-N
AC$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 105.0842
MS$FOCUSED_ION: PRECURSOR_M/Z 584.42
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+*
MS$DATA_PROCESSING: RELATIVE_M/Z normalised by peak(m/z=105.0842). set 999 for peak(m/z=584.3922,rel=2119).
PK$SPLASH: splash10-05o3-2920010000-2947fa88de792967945b
PK$NUM_PEAK: 651
PK$PEAK: m/z int. rel.int.
10.6664 0.01 0
12.8774 0.01 0
14.0209 0.03 1
15.0251 0.11 2
19.0119 0.01 0
22.9894 0.03 1
23.9943 0.01 0
25.0027 0.03 1
26.0157 0.22 5
27.0248 1.99 42
28.0309 0.15 3
29.0350 2.30 49
30.0293 0.03 1
31.0158 0.60 13
35.9853 0.01 0
37.0206 0.15 3
37.4577 0.01 0
38.0114 0.68 14
38.3884 0.01 0
39.0270 5.32 113
40.0319 0.66 14
41.0425 10.55 224
41.6335 0.04 1
42.0414 0.30 6
42.6434 0.01 0
43.0357 9.15 194
44.0329 0.16 3
45.0361 0.40 8
46.6999 0.01 0
46.9873 0.01 0
47.9947 0.01 0
48.2455 0.02 0
49.0120 0.14 3
49.4353 0.02 0
50.0195 1.44 31
50.6057 0.02 0
51.0248 3.59 76
52.0326 1.06 22
52.6433 0.01 0
53.0414 6.14 130
54.0498 0.34 7
54.5662 0.01 0
55.0529 15.56 330
56.0565 0.35 7
57.0640 5.27 112
57.5630 0.01 0
58.0499 0.06 1
58.5209 0.01 0
59.0538 2.10 45
60.0648 0.02 0
61.0082 0.15 3
62.0251 0.80 17
62.5584 0.01 0
63.0360 2.76 58
64.0351 0.59 13
64.5231 0.04 1
65.0421 5.22 111
66.0543 0.99 21
66.5601 0.01 0
67.0594 8.56 181
68.0532 0.56 12
68.4719 0.01 0
69.0608 11.23 238
69.5736 0.01 0
70.0645 0.25 5
71.0515 4.19 89
72.0418 0.04 1
73.0189 0.08 2
73.2114 0.03 1
73.4913 0.01 0
74.0146 0.65 14
75.0356 1.07 23
76.0326 0.67 14
77.0419 16.32 346
78.0453 3.09 65
79.0543 17.57 372
80.0571 2.90 61
81.0680 20.11 426
82.0516 1.70 36
83.0643 5.31 113
84.0665 0.34 7
85.0661 4.53 96
86.0203 0.34 7
87.0383 0.78 17
88.0456 0.28 6
89.0688 1.75 37
90.0878 0.92 19
91.0660 37.88 803
92.0682 3.97 84
93.0822 26.55 563
94.0862 1.65 35
95.0796 22.24 471
96.0804 0.99 21
97.0805 4.15 88
98.0513 0.20 4
98.4306 0.02 0
99.0556 0.32 7
100.1127 0.06 1
101.0661 0.61 13
102.0612 1.78 38
103.0693 6.90 146
103.5339 0.13 3
104.0765 3.21 68
105.0842 47.14 999
106.0952 4.55 96
107.0941 19.41 411
108.0832 2.38 50
109.0987 11.68 248
110.0698 1.00 21
111.0789 2.43 51
112.1121 0.08 2
113.0544 0.65 14
114.0937 0.76 16
115.0531 18.98 402
116.0604 7.26 154
117.0650 21.18 449
118.0697 4.13 88
119.0760 38.28 811
120.0823 4.70 100
121.0829 22.53 477
122.0651 1.88 40
122.3738 0.11 2
123.0742 19.65 416
124.0662 0.56 12
125.0695 1.57 33
126.0056 1.09 23
127.0458 7.24 153
128.0445 23.03 488
129.0488 27.39 580
130.0586 11.07 235
131.0625 32.01 678
132.0676 6.08 129
133.0711 21.62 458
134.0599 2.40 51
135.0657 11.99 254
136.0293 0.91 19
137.0657 4.25 90
138.0728 3.03 64
139.0461 3.60 76
140.0452 1.18 25
141.0410 18.55 393
142.0540 17.39 369
143.0621 32.65 692
144.0670 9.91 210
145.0728 36.00 763
146.0739 4.01 85
147.0773 14.60 309
148.0730 1.58 33
149.0814 4.60 97
150.0732 0.92 19
151.0747 3.08 65
152.0609 7.41 157
153.0628 11.24 238
154.0700 5.53 117
155.0767 21.41 454
156.0872 11.92 253
157.0942 26.61 564
158.0991 5.89 125
159.1063 16.79 356
160.1026 2.42 51
161.1086 7.60 161
162.1020 0.59 13
163.0977 2.71 57
164.0839 1.16 25
165.0752 16.37 347
166.0942 5.95 126
167.1020 15.08 320
168.1136 6.18 131
169.1197 19.42 412
170.1265 6.23 132
171.1267 14.07 298
172.1216 3.04 64
173.1307 8.75 185
174.1106 1.10 23
175.1316 3.86 82
176.1025 1.52 32
177.1114 1.96 42
178.0806 8.42 178
179.0893 13.85 294
180.0988 6.69 142
181.0984 16.40 348
182.1048 6.30 134
183.1072 16.02 339
184.1088 3.53 75
185.1140 7.56 160
186.1108 1.63 35
187.1128 4.66 99
188.1018 0.74 16
189.0975 5.01 106
190.0801 1.97 42
191.0875 7.90 167
192.0894 5.94 126
193.0859 12.83 272
194.0860 5.71 121
195.1018 16.43 348
196.0984 3.88 82
197.1124 12.10 256
198.1071 2.12 45
199.1130 5.30 112
200.0982 1.46 31
201.1067 2.90 61
202.0702 4.17 88
203.0797 5.50 117
204.0807 2.41 51
205.0806 5.91 125
206.0963 4.59 97
207.1019 10.31 218
208.1079 3.91 83
209.1129 10.11 214
210.1215 2.40 51
211.1199 6.20 131
212.1279 1.18 25
213.1226 2.94 62
214.1408 0.75 16
215.1013 4.52 96
216.1111 2.19 46
217.1138 4.73 100
218.1155 2.56 54
219.1252 6.32 134
220.1323 2.65 56
221.1353 6.99 148
222.1479 2.48 53
223.1548 6.21 132
224.1452 1.38 29
225.1591 3.38 72
226.1258 1.53 32
227.1421 1.98 42
228.1388 1.72 36
229.1313 3.85 82
230.1472 1.81 38
231.1440 4.41 93
232.1416 2.16 46
233.1581 6.41 136
234.1626 1.77 38
235.1553 5.00 106
236.1560 1.12 24
237.1771 3.72 79
238.1724 0.90 19
239.1496 2.45 52
240.1487 0.77 16
241.1420 2.36 50
242.1526 1.45 31
243.1374 2.58 55
244.1333 1.57 33
245.1527 3.62 77
246.1756 1.83 39
247.1695 4.10 87
248.1900 1.18 25
249.1845 3.17 67
250.1949 0.94 20
251.1638 2.18 46
252.1454 1.07 23
253.1661 2.31 49
254.1623 1.01 21
255.1696 2.24 47
256.1463 0.86 18
257.1664 2.43 51
258.1571 1.07 23
259.1761 2.45 52
260.1891 1.03 22
261.1870 2.70 57
262.1835 0.78 17
263.1913 2.07 44
264.2025 0.73 15
265.1875 2.01 43
266.1775 0.73 15
267.1849 1.96 42
268.1926 0.64 14
269.1927 2.47 52
270.1792 0.86 18
271.1893 1.80 38
272.1639 0.83 18
273.2119 2.07 44
274.2229 0.77 16
275.2271 1.80 38
276.2210 0.60 13
277.2106 1.37 29
278.1880 0.46 10
279.2311 1.32 28
280.2215 0.60 13
281.2261 1.65 35
282.2170 0.85 18
283.2238 1.52 32
284.2027 0.63 13
284.7032 0.12 3
285.2271 1.41 30
286.1987 0.58 12
287.2314 1.24 26
288.2113 0.40 8
288.6061 0.09 2
289.2227 1.20 25
290.2187 0.32 7
291.2179 0.88 19
292.2362 0.33 7
293.2158 0.73 15
294.1987 0.34 7
295.1990 0.95 20
296.1527 0.43 9
297.1956 1.09 23
298.2622 0.48 10
298.6574 0.10 2
299.2041 0.97 21
300.2243 0.39 8
300.6337 0.08 2
301.2197 0.86 18
301.6011 0.13 3
302.1779 0.44 9
303.2191 0.84 18
304.2308 0.19 4
305.2208 0.70 15
306.2126 0.37 8
307.1859 0.87 18
308.1531 0.35 7
308.5742 0.05 1
309.1815 0.58 12
309.7436 0.04 1
310.2400 0.45 10
310.6064 0.09 2
311.2015 0.75 16
312.1867 0.34 7
313.1941 0.68 14
314.1547 0.25 5
314.5841 0.03 1
315.2173 0.78 17
316.1845 0.33 7
317.2052 0.56 12
318.2685 0.41 9
319.2049 0.68 14
319.6238 0.08 2
320.2090 0.36 8
320.6844 0.09 2
321.2462 0.71 15
322.2114 0.23 5
323.2176 0.52 11
324.1957 0.29 6
325.2290 0.71 15
326.2421 0.21 4
326.6898 0.07 1
327.2113 0.55 12
328.1965 0.24 5
328.6255 0.09 2
329.2353 0.56 12
330.2318 0.16 3
330.5163 0.08 2
331.2222 0.56 12
332.2411 0.28 6
333.2554 0.85 18
334.2274 0.39 8
335.2901 0.89 19
336.2605 0.28 6
337.2232 0.63 13
338.2945 0.33 7
339.2418 0.38 8
340.2333 0.11 2
341.2140 0.39 8
342.2105 0.18 4
343.2355 0.28 6
344.2371 0.13 3
344.6821 0.06 1
345.2467 0.51 11
346.2202 0.29 6
347.2884 0.82 17
348.2607 0.35 7
348.6462 0.08 2
349.2332 0.56 12
350.2468 0.22 5
351.2353 0.33 7
352.1846 0.20 4
352.6837 0.04 1
353.2790 0.43 9
353.7798 0.02 0
354.2711 0.24 5
355.2193 0.29 6
356.2354 0.20 4
356.6135 0.06 1
357.2122 0.35 7
357.7937 0.03 1
358.2838 0.23 5
359.3050 0.51 11
360.2997 0.21 4
361.2440 0.34 7
362.2247 0.35 7
363.2837 0.67 14
363.7833 0.06 1
364.3507 0.25 5
365.2492 0.27 6
365.7017 0.04 1
366.2456 0.14 3
367.2800 0.30 6
368.2199 0.11 2
369.2482 0.23 5
369.7545 0.04 1
370.2751 0.08 2
370.6932 0.08 2
371.2706 0.27 6
372.3673 0.16 3
372.6703 0.11 2
373.2968 0.38 8
374.2896 0.17 4
374.5200 0.05 1
374.7694 0.01 0
375.2903 0.15 3
376.2975 0.16 3
376.8450 0.07 1
377.3211 0.29 6
378.2940 0.28 6
379.2134 0.19 4
379.4894 0.08 2
380.1913 0.08 2
380.5635 0.05 1
381.3144 0.21 4
381.8587 0.03 1
382.2925 0.09 2
383.3434 0.26 6
384.3296 0.09 2
385.3176 0.28 6
386.2962 0.26 6
387.0966 0.28 6
388.1922 0.20 4
388.6091 0.07 1
389.2422 0.14 3
390.2703 0.15 3
390.7299 0.02 0
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391.8181 0.07 1
392.2826 0.14 3
392.7644 0.03 1
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393.5353 0.06 1
394.3285 0.07 1
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398.3349 0.11 2
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399.6976 0.07 1
400.3506 0.16 3
400.6985 0.03 1
401.3389 0.23 5
402.2704 0.11 2
402.8461 0.08 2
403.3253 0.15 3
403.6828 0.03 1
404.4167 0.10 2
405.2615 0.11 2
405.4941 0.04 1
406.3690 0.06 1
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410.4070 0.21 4
411.3593 0.19 4
412.3385 0.14 3
413.3383 0.77 16
413.8106 0.03 1
414.3209 0.20 4
414.6969 0.05 1
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415.7238 0.04 1
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418.3202 0.21 4
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428.3549 0.97 21
429.3489 0.63 13
430.3003 0.19 4
431.3182 0.57 12
432.2698 0.19 4
432.8105 0.07 1
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437.2934 0.14 3
437.7599 0.10 2
438.7375 0.07 1
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440.6737 0.06 1
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442.5028 0.11 2
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445.3498 0.55 12
446.3390 3.17 67
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457.0110 0.50 11
458.3371 0.27 6
459.2990 0.30 6
459.9217 0.05 1
460.4399 0.11 2
460.7426 0.06 1
461.4201 0.24 5
462.3870 0.24 5
463.2258 0.15 3
463.8288 0.05 1
464.2324 0.07 1
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465.4306 0.12 3
466.2268 0.10 2
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467.4046 0.14 3
468.2343 0.13 3
468.9072 0.09 2
469.4043 0.13 3
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492.4001 9.09 193
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496.3993 0.15 3
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514.4177 0.10 2
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522.2514 0.11 2
523.2468 0.16 3
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525.2853 0.19 4
525.6129 0.10 2
526.3901 0.23 5
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531.9167 0.07 1
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540.5339 0.26 6
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542.0690 0.18 4
543.5472 0.26 6
544.6215 0.28 6
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548.0997 1.39 29
551.3488 2.52 53
553.2145 2.74 58
554.4320 0.65 14
555.4942 0.25 5
556.4138 0.15 3
556.8481 0.11 2
565.4686 3.81 81
566.4647 34.34 728
567.4561 2.25 48
568.4254 1.13 24
569.4423 1.98 42
570.6509 0.61 13
584.3922 99.97 999
587.7766 3.46 73
588.9702 1.31 28
590.2969 0.81 17
591.3181 0.45 10
592.3837 0.32 7
//