MassBank Record: MSBNK-Kyoto_Univ-CA000074
ACCESSION: MSBNK-Kyoto_Univ-CA000074
RECORD_TITLE: 3'-O-Didehydrolutein; FAB-EBEB; MS2; m/z: 566.41; [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: Masahiro Ookubo, Miyuki Tsushima, Takashi Maoka and Takao Matsuno, Carotenoids and their metabolism in the goldfish Carassius auratus, Comp. Biochem. Physiol., 124B, 333-340 (1999). 75 Luteoxanthin 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] CA000074.jpg
CH$NAME: 3'-O-Didehydrolutein
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C40H54O2
CH$EXACT_MASS: 566.41238
CH$SMILES: C(=CC=C(C=CC=C(C)C=CC(=C(C)2)C(C)(C)CC(C2)O)C)C=C(C=CC=C(C)C=CC(C=1C)C(C)(C)CC(C1)=O)C
CH$IUPAC: InChI=1S/C40H54O2/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/h11-25,36-37,42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t36-,37+/m1/s1
CH$LINK: CAS
97134-08-2
CH$LINK: INCHIKEY
OABQIJAIRYEICK-HRAWYTEHSA-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$FOCUSED_ION: BASE_PEAK 90.9451
MS$FOCUSED_ION: PRECURSOR_M/Z 566.41
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+*
MS$DATA_PROCESSING: RELATIVE_M/Z normalised by peak(m/z=90.9451). set 999 for peak(m/z=566.3095,rel=2045).
PK$SPLASH: splash10-016u-3910010000-1ac029674b1249d2e4cd
PK$NUM_PEAK: 1631
PK$PEAK: m/z int. rel.int.
9.6635 0.01 0
11.9627 0.01 0
12.9358 0.04 1
13.9683 0.11 2
14.9671 0.22 5
18.9701 0.01 0
22.9024 0.02 0
23.6916 0.01 0
24.2845 0.01 0
24.8557 0.02 0
24.9503 0.05 1
25.9406 0.44 9
26.2715 0.01 0
26.9465 3.53 72
27.1519 0.03 1
27.9543 0.48 10
28.9530 3.21 66
29.9193 0.08 2
30.9330 0.23 5
33.5733 0.02 0
35.0580 0.01 0
35.9090 0.02 0
36.1268 0.01 0
36.3682 0.02 0
36.4502 0.01 0
36.9249 0.38 8
37.0580 0.02 0
37.2026 0.02 0
37.3408 0.01 0
37.4568 0.01 0
37.9243 1.16 24
38.2146 0.02 0
38.3794 0.01 0
38.4897 0.01 0
38.6025 0.01 0
38.9335 9.10 186
39.2320 0.04 1
39.5168 0.01 0
39.6548 0.02 0
39.9454 1.19 24
40.9502 15.32 313
41.9451 0.35 7
42.9426 7.87 161
43.9434 0.19 4
44.9392 0.33 7
47.8224 0.01 0
47.9539 0.02 0
48.1097 0.01 0
48.2003 0.02 0
48.4068 0.03 1
48.5063 0.02 0
48.9132 0.15 3
49.2299 0.05 1
49.9218 3.04 62
50.4391 0.03 1
50.5027 0.01 0
50.9307 6.69 137
51.1228 0.02 0
51.3345 0.01 0
51.5460 0.01 0
51.9338 2.35 48
52.4829 0.02 0
52.9442 10.87 222
53.4968 0.01 0
53.9580 0.51 10
54.2539 0.01 0
54.9579 17.65 361
55.1874 0.02 0
55.9619 0.55 11
56.5738 0.01 0
56.9677 5.63 115
57.4446 0.04 1
57.7652 0.02 0
57.9632 0.06 1
58.1728 0.01 0
58.5702 0.02 0
58.9585 1.24 25
59.6623 0.01 0
59.8199 0.04 1
59.9299 0.03 1
60.3645 0.02 0
60.5605 0.01 0
60.9265 0.40 8
61.0442 0.04 1
61.1845 0.02 0
61.3683 0.01 0
61.5400 0.02 0
61.9225 1.93 39
62.2376 0.02 0
62.3995 0.01 0
62.5233 0.03 1
62.9262 5.77 118
63.1379 0.11 2
63.3348 0.05 1
63.5879 0.02 0
63.9403 1.25 26
64.1000 0.03 1
64.2280 0.02 0
64.3829 0.07 1
64.9395 9.29 190
65.1367 0.02 0
65.2910 0.01 0
65.3912 0.01 0
65.9422 1.63 33
66.2996 0.03 1
66.9544 10.89 223
67.9484 0.49 10
68.4036 0.01 0
68.9558 11.78 241
69.1691 0.04 1
69.3609 0.02 0
69.4938 0.02 0
69.6017 0.02 0
69.9469 0.15 3
70.2588 0.01 0
70.4514 0.03 1
70.5706 0.02 0
70.9523 2.18 45
71.3294 0.01 0
71.8953 0.01 0
72.1526 0.01 0
72.3436 0.01 0
72.6794 0.02 0
72.9333 0.11 2
73.2599 0.03 1
73.4286 0.02 0
73.5478 0.03 1
73.9085 1.38 28
74.2841 0.01 0
74.9285 2.35 48
75.1715 0.11 2
75.3018 0.09 2
75.5196 0.07 1
75.9268 1.59 33
76.2891 0.09 2
76.9293 26.05 533
77.3067 0.18 4
77.9366 5.22 107
78.9470 20.45 418
79.2100 0.04 1
79.3741 0.03 1
79.5758 0.03 1
79.9497 2.36 48
80.2710 0.03 1
80.4533 0.03 1
80.9588 16.08 329
81.2163 0.08 2
81.4532 0.03 1
81.6585 0.02 0
81.9407 0.49 10
82.3389 0.06 1
82.4548 0.10 2
82.9512 7.37 151
83.3612 0.02 0
83.5123 0.01 0
83.9544 0.13 3
84.3880 0.03 1
84.9548 5.46 112
85.4086 0.04 1
85.5445 0.05 1
85.9161 0.53 11
86.9084 1.07 22
87.2597 0.01 0
87.9313 0.56 11
88.1748 0.04 1
88.3411 0.01 0
88.9327 3.30 67
89.2532 0.18 4
89.9438 1.15 24
90.1312 0.19 4
90.4218 0.13 3
90.9451 48.84 999
91.1934 0.09 2
91.9548 3.97 81
92.1346 0.08 2
92.3866 0.06 1
92.9625 23.20 475
93.2884 0.05 1
93.4797 0.04 1
93.7038 0.08 2
93.9729 1.49 30
94.3340 0.04 1
94.4775 0.11 2
94.9771 10.87 222
95.2981 0.04 1
95.4870 0.05 1
95.9584 0.55 11
96.2043 0.01 0
96.3258 0.04 1
96.5585 0.05 1
96.9662 1.46 30
97.3919 0.02 0
97.6153 0.02 0
97.9276 0.37 8
98.4989 0.03 1
98.6670 0.02 0
98.9370 0.41 8
99.2704 0.01 0
99.9096 0.13 3
100.1612 0.02 0
100.9562 0.90 18
101.2021 0.12 2
101.4482 0.13 3
101.9400 2.85 58
102.3637 0.08 2
102.9535 8.66 177
103.2629 0.08 2
103.3941 0.05 1
103.9608 3.88 79
104.2658 0.14 3
104.9694 47.84 979
105.4035 0.08 2
105.9798 4.76 97
106.4340 0.10 2
106.9840 17.43 357
107.2395 0.06 1
107.4484 0.06 1
107.5697 0.03 1
107.9581 2.13 44
108.3436 0.05 1
108.5137 0.09 2
108.9900 11.42 234
109.2176 0.09 2
109.3911 0.06 1
109.5053 0.06 1
109.9680 0.30 6
110.1786 0.04 1
110.3179 0.02 0
110.4580 0.04 1
110.5949 0.02 0
110.9689 1.16 24
111.2768 0.02 0
111.5267 0.03 1
111.6619 0.01 0
111.7722 0.01 0
111.9608 0.19 4
112.2228 0.02 0
112.4931 0.14 3
112.9429 0.78 16
113.1168 0.16 3
113.9297 0.76 16
114.1190 0.22 5
114.9331 25.11 514
115.9444 8.08 165
116.9407 22.05 451
117.4442 0.12 2
117.9468 4.06 83
118.1941 0.06 1
118.9562 38.24 782
119.9562 3.57 73
120.1960 0.07 1
120.4555 0.09 2
120.9571 14.64 299
121.3929 0.07 1
121.5015 0.08 2
121.9421 1.40 29
122.2926 0.03 1
122.4892 0.09 2
122.9552 4.31 88
123.2444 0.02 0
123.5089 0.03 1
123.6274 0.02 0
123.7358 0.04 1
123.9583 0.13 3
124.2038 0.03 1
124.4514 0.02 0
124.9460 0.96 20
125.1248 0.09 2
125.2609 0.09 2
125.3861 0.05 1
125.9031 1.16 24
126.2413 0.09 2
126.9164 7.70 158
127.9207 24.86 508
128.9269 28.49 583
129.3589 0.13 3
129.9280 10.04 205
130.3078 0.10 2
130.9386 24.40 499
131.2236 0.14 3
131.5422 0.08 2
131.9402 4.66 95
132.1353 0.13 3
132.3325 0.13 3
132.9513 19.35 396
133.2886 0.12 2
133.9591 1.72 35
134.1437 0.11 2
134.2367 0.06 1
134.3710 0.04 1
134.9377 13.00 266
135.4223 0.12 2
135.9261 0.60 12
136.1936 0.03 1
136.2999 0.04 1
136.9480 7.49 153
137.3436 0.08 2
137.6342 0.06 1
137.9432 0.63 13
138.3184 0.10 2
138.9082 3.17 65
139.3814 0.08 2
139.9204 1.18 24
140.1143 0.35 7
140.9188 19.86 406
141.9292 16.81 344
142.3191 0.15 3
142.9394 27.47 562
143.2056 0.21 4
143.9428 8.31 170
144.2119 0.11 2
144.4726 0.25 5
144.9530 27.34 559
145.3199 0.18 4
145.4540 0.15 3
145.5743 0.12 2
145.9467 3.26 67
146.3610 0.12 2
146.9622 9.44 193
147.2590 0.10 2
147.4169 0.07 1
147.5886 0.06 1
147.9571 0.93 19
148.1466 0.07 1
148.5414 0.11 2
148.9653 4.78 98
149.2870 0.07 1
149.9358 0.56 11
150.3241 0.10 2
150.9617 3.13 64
151.1617 0.34 7
151.9228 7.86 161
152.4481 0.29 6
152.9354 10.81 221
153.3011 0.14 3
153.9411 5.33 109
154.9608 18.73 383
155.9728 10.70 219
156.9817 21.86 447
157.3592 0.20 4
157.9763 5.26 108
158.4004 0.11 2
158.9789 23.95 490
159.4928 0.17 3
159.9950 1.76 36
160.5253 0.12 2
161.0000 5.20 106
161.3536 0.06 1
161.5426 0.06 1
161.9819 0.46 9
162.9826 1.64 34
163.3247 0.13 3
163.9793 1.20 25
164.9735 17.24 353
165.9744 5.41 111
166.9881 12.90 264
167.3346 0.11 2
167.4972 0.08 2
167.9968 5.11 105
168.2599 0.21 4
169.0031 15.15 310
170.0155 5.13 105
170.3349 0.20 4
171.0153 10.47 214
171.3509 0.13 3
171.5334 0.23 5
172.0071 3.05 62
172.3117 0.09 2
172.5323 0.09 2
173.0210 7.17 147
173.2911 0.13 3
173.5339 0.10 2
173.9802 0.58 12
175.0276 3.74 77
175.3034 0.11 2
175.9741 1.54 31
176.1424 0.21 4
176.9773 2.05 42
177.9605 8.24 169
178.2135 0.12 2
178.3700 0.18 4
178.9698 12.27 251
179.2637 0.07 1
179.4111 0.06 1
179.9771 4.82 99
180.9836 12.14 248
181.3148 0.15 3
181.9928 4.76 97
182.9940 11.72 240
183.2981 0.18 4
184.0031 2.71 55
185.0001 5.71 117
185.3107 0.09 2
185.5204 0.12 2
185.9964 0.98 20
187.0027 2.29 47
187.2860 0.11 2
187.9901 0.40 8
188.2466 0.17 3
188.9652 4.37 89
189.4274 0.14 3
189.9544 1.70 35
190.2092 0.24 5
190.5125 0.19 4
190.9650 6.22 127
191.3083 0.17 3
191.9668 4.87 100
192.3413 0.19 4
192.9718 9.97 204
193.3520 0.18 4
193.9808 4.66 95
194.3477 0.20 4
194.9876 11.99 245
195.3317 0.21 4
195.9862 3.16 65
196.9888 8.96 183
197.4476 0.16 3
197.6791 0.21 4
197.9959 1.43 29
198.5003 0.07 1
199.0029 3.78 77
199.2542 0.14 3
199.9602 0.73 15
201.0015 2.24 46
201.9463 3.16 65
202.4877 0.16 3
202.9723 4.36 89
203.3008 0.06 1
203.9696 1.88 38
204.9688 4.63 95
205.3493 0.12 2
205.9827 3.39 69
206.4491 0.13 3
206.9863 6.62 135
207.3202 0.11 2
207.5576 0.18 4
207.9951 2.76 56
209.0037 7.30 149
209.3114 0.13 3
209.4361 0.10 2
210.0176 1.95 40
210.4024 0.13 3
211.0122 4.37 89
212.0032 0.60 12
212.2097 0.16 3
212.3774 0.10 2
212.9884 1.64 34
213.3281 0.09 2
213.5314 0.10 2
214.0314 0.36 7
214.9671 3.83 78
215.3515 0.11 2
215.5570 0.08 2
215.9851 1.96 40
216.2583 0.10 2
216.3717 0.08 2
217.0002 4.27 87
217.3199 0.10 2
217.4709 0.09 2
218.0074 1.88 38
218.2460 0.14 3
219.0111 4.14 85
219.3038 0.09 2
220.0158 1.66 34
221.0265 4.55 93
221.5330 0.10 2
222.0307 1.75 36
222.4436 0.11 2
223.0429 3.60 74
223.3032 0.07 1
223.6690 0.09 2
224.0555 0.95 19
224.2597 0.09 2
224.5174 0.20 4
225.0507 2.02 41
226.0236 1.01 21
226.3535 0.08 2
226.5826 0.10 2
227.0354 1.12 23
227.3633 0.12 2
228.0105 1.25 26
228.5193 0.12 2
229.0226 2.73 56
229.4233 0.10 2
229.6116 0.04 1
230.0302 1.33 27
231.0307 2.49 51
231.5153 0.07 1
232.0535 1.45 30
232.3141 0.15 3
232.5548 0.15 3
233.0390 3.37 69
233.3443 0.07 1
234.0571 1.08 22
234.3776 0.12 2
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235.4017 0.09 2
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236.0601 0.74 15
236.4516 0.02 0
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237.5658 0.09 2
238.0660 0.44 9
238.2117 0.15 3
238.5484 0.08 2
239.0206 1.61 33
239.3162 0.07 1
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241.5088 0.05 1
242.0166 0.89 18
242.3400 0.15 3
242.5892 0.12 2
243.0297 1.95 40
243.3202 0.07 1
243.4380 0.03 1
244.0301 0.79 16
244.3228 0.04 1
245.0253 2.11 43
245.4717 0.02 0
245.6143 0.08 2
246.0546 1.00 20
246.3723 0.03 1
246.5150 0.05 1
247.0547 2.18 45
247.3793 0.11 2
247.6937 0.15 3
248.0619 0.70 14
248.3667 0.04 1
248.5239 0.04 1
248.6384 0.05 1
249.0688 1.80 37
249.4151 0.08 2
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250.0464 0.44 9
250.2968 0.06 1
250.5763 0.07 1
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251.3693 0.09 2
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252.3262 0.05 1
253.0410 0.96 20
253.5728 0.16 3
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256.5840 0.09 2
257.0637 1.68 34
257.4141 0.07 1
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259.5238 0.07 1
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260.3332 0.07 1
261.0681 1.75 36
261.5103 0.08 2
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262.0543 0.43 9
262.1997 0.22 5
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265.5025 0.01 0
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269.3876 0.05 1
269.6457 0.03 1
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273.0858 0.98 20
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274.0528 0.55 11
274.4071 0.11 2
275.0881 0.97 20
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276.0702 0.31 6
276.3851 0.09 2
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279.0735 0.75 15
279.4310 0.03 1
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281.0789 0.67 14
281.5102 0.05 1
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282.7183 0.15 3
283.1227 1.15 24
283.5418 0.01 0
284.0540 0.49 10
284.3786 0.03 1
284.5329 0.03 1
285.0772 0.75 15
285.7857 0.06 1
285.9039 0.09 2
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286.4860 0.04 1
287.0855 0.73 15
287.4124 0.08 2
287.5286 0.06 1
287.7693 0.07 1
288.0926 0.28 6
288.4427 0.06 1
288.6108 0.04 1
289.0867 0.68 14
289.4772 0.03 1
289.6058 0.10 2
289.7941 0.05 1
289.9157 0.06 1
290.1110 0.22 5
290.2805 0.02 0
290.4758 0.05 1
290.6072 0.03 1
291.0826 0.40 8
291.3795 0.03 1
291.5338 0.05 1
291.7861 0.10 2
292.0274 0.20 4
292.1442 0.11 2
292.2986 0.04 1
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293.2185 0.22 5
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294.4615 0.01 0
294.6729 0.07 1
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295.4487 0.04 1
295.5948 0.01 0
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297.0911 0.49 10
297.2247 0.23 5
297.5895 0.04 1
298.0789 0.27 6
298.4291 0.03 1
299.0585 0.51 10
299.4005 0.02 0
299.8093 0.08 2
300.0774 0.17 3
300.3226 0.04 1
301.0721 0.54 11
301.4016 0.05 1
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301.6971 0.05 1
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302.2614 0.10 2
302.7283 0.06 1
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303.3458 0.04 1
303.6957 0.04 1
304.0178 0.19 4
304.3077 0.05 1
304.4047 0.01 0
304.7993 0.08 2
305.0907 0.30 6
305.5237 0.03 1
305.6638 0.02 0
305.7691 0.03 1
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306.1771 0.12 2
306.3305 0.04 1
306.5146 0.02 0
306.7295 0.07 1
307.1040 0.29 6
307.5142 0.06 1
308.1107 0.23 5
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//
