MassBank Record: MSBNK-Kyoto_Univ-CA000010
ACCESSION: MSBNK-Kyoto_Univ-CA000010
RECORD_TITLE: 8'-Apozeaxanthinal; FAB-EBEB; MS2; m/z: 432.30; [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] CA000010.jpg
CH$NAME: 8'-Apozeaxanthinal
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C30H40O2
CH$EXACT_MASS: 432.30283
CH$SMILES: CC(C1)=C(C(C)(C)CC1O)C=CC(=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=O)C
CH$IUPAC: InChI=1S/C30H40O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-19,22,28,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16+,26-17+/t28-/m1/s1
CH$LINK: INCHIKEY
AVPAEFHIEZLSLZ-QCPGYTKSSA-N
AC$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 91.0681
MS$FOCUSED_ION: PRECURSOR_M/Z 432.30
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+*
MS$DATA_PROCESSING: RELATIVE_M/Z normalised by peak(m/z=91.0681). set 999 for peak(m/z=432.3324,rel=7498).
PK$SPLASH: splash10-001i-2920400000-4e33cf66fa6e9d22cf29
PK$NUM_PEAK: 624
PK$PEAK: m/z int. rel.int.
13.0179 0.01 1
14.0140 0.01 1
15.0310 0.09 7
18.0268 0.01 1
22.9988 0.01 1
25.0095 0.03 2
26.0191 0.10 8
27.0287 0.82 61
28.0196 0.04 3
29.0302 0.57 43
30.0258 0.02 2
31.0235 0.07 5
37.0040 0.06 5
38.0203 0.13 10
38.7470 0.01 1
39.0163 1.16 87
39.7803 0.01 1
40.0174 0.17 13
41.0241 1.94 146
42.0204 0.04 3
43.0120 1.29 97
44.0223 0.04 3
45.0134 0.08 6
47.8335 0.01 1
48.6712 0.01 1
49.0086 0.05 4
49.2858 0.01 1
49.9997 0.41 31
51.0124 1.09 82
52.0127 0.35 26
53.0243 1.95 146
54.0148 0.18 13
54.4587 0.01 1
55.0292 3.12 234
56.0155 0.06 5
57.0388 1.19 89
57.9683 0.02 2
59.0163 0.26 20
60.0579 0.02 2
60.9911 0.10 8
62.0223 0.36 27
63.0208 1.02 77
63.5470 0.03 2
64.0229 0.31 23
64.4919 0.03 2
65.0246 2.10 158
65.4090 0.02 2
66.0277 0.49 37
67.0360 2.42 181
68.0261 0.14 11
68.4435 0.01 1
69.0349 2.58 194
69.4712 0.03 2
69.9799 0.02 2
70.1460 0.01 1
71.0321 0.85 64
71.4247 0.01 1
72.0222 0.02 2
73.0340 0.04 3
74.0207 0.33 25
75.0389 0.44 33
75.5885 0.04 3
76.0309 0.41 31
76.4488 0.07 5
77.0394 6.01 451
77.6299 0.05 4
78.0424 1.43 107
78.4514 0.03 2
79.0520 5.28 396
79.6625 0.02 2
80.0569 0.56 42
81.0500 3.16 237
81.4507 0.04 3
82.0312 0.28 21
82.3628 0.01 1
83.0603 1.02 77
83.5371 0.03 2
84.0347 0.07 5
85.0601 1.32 99
85.5215 0.01 1
86.0458 0.11 8
87.0314 0.19 14
88.0539 0.10 8
88.3339 0.03 2
89.0680 0.79 59
89.5686 0.06 5
90.0635 0.36 27
90.5033 0.10 8
91.0681 13.32 999
92.0653 1.23 92
93.0736 5.51 413
94.0754 0.40 30
94.4530 0.02 2
95.0686 4.37 328
96.0562 0.33 25
96.4361 0.02 2
96.7975 0.03 2
97.0705 0.40 30
97.6784 0.02 2
98.0343 0.11 8
99.0686 0.12 9
99.5445 0.01 1
100.0242 0.04 3
100.6756 0.02 2
101.0543 0.28 21
101.5443 0.02 2
102.0651 0.75 56
103.0690 2.18 164
103.5343 0.03 2
104.0587 1.11 83
104.3689 0.05 4
105.0687 12.21 916
106.0770 1.27 95
107.0709 4.70 353
107.5694 0.03 2
108.0662 0.43 32
109.0681 2.11 158
109.6760 0.02 2
110.0437 0.14 11
110.7256 0.02 2
111.0535 0.37 28
111.5260 0.03 2
112.0816 0.06 5
112.5558 0.03 2
113.0621 0.24 18
113.4101 0.07 5
114.0310 0.27 20
115.0501 7.24 543
116.0523 2.65 199
117.0525 6.33 475
117.4845 0.06 5
118.0549 1.34 101
118.4799 0.05 4
119.0595 10.04 753
119.4464 0.11 8
120.0631 1.19 89
120.5846 0.05 4
121.0646 3.69 277
121.5803 0.02 2
122.0403 0.36 27
122.4328 0.02 2
123.0633 0.91 68
123.4670 0.03 2
124.0367 0.14 11
124.6079 0.01 1
125.0435 0.25 19
126.0219 0.33 25
126.5115 0.10 8
127.0587 2.61 196
128.0533 7.57 568
129.0565 7.83 587
130.0605 2.79 209
130.5575 0.15 11
131.0699 6.97 523
132.0846 1.38 104
133.0774 4.87 365
134.0721 0.75 56
134.4577 0.08 6
135.0808 2.40 180
136.0381 0.27 20
136.3839 0.04 3
137.0736 0.54 41
137.4830 0.03 2
138.0980 0.20 15
139.0697 1.00 75
140.0630 0.34 26
141.0888 6.72 504
142.0837 4.94 371
143.0947 8.26 620
144.0945 2.69 202
145.1082 6.78 509
146.1006 0.91 68
147.1148 3.75 281
147.7113 0.03 2
148.1417 0.34 26
148.5327 0.03 2
149.1177 1.56 117
149.5949 0.04 3
150.1175 0.45 34
151.1246 1.04 78
151.4932 0.16 12
152.1180 2.64 198
153.1221 3.77 283
153.5564 0.07 5
154.1235 1.75 131
155.1230 5.87 440
155.6754 0.11 8
156.1255 4.15 311
157.1374 6.91 518
158.1224 1.68 126
159.1335 4.16 312
159.5215 0.09 7
160.1219 0.62 47
161.1109 1.59 119
162.1404 0.28 21
162.3974 0.09 7
163.1118 0.71 53
164.1248 0.52 39
165.1096 5.83 437
166.0927 1.86 140
167.1107 4.46 335
167.5439 0.11 8
168.1093 1.88 141
168.5416 0.11 8
169.1096 4.84 363
170.1161 1.74 131
171.1263 3.83 287
172.1127 0.94 70
172.6228 0.09 7
173.1218 2.82 211
173.5854 0.07 5
174.1203 0.31 23
175.1283 1.23 92
176.0821 0.48 36
177.1190 0.74 56
178.0994 2.97 223
179.0960 4.21 316
180.1031 1.75 131
181.1050 4.27 320
182.1075 1.78 134
183.1138 4.21 316
183.6535 0.06 5
184.1239 1.13 85
185.1322 2.31 173
185.7195 0.05 4
186.1433 0.44 33
187.1245 1.10 83
188.1353 0.25 19
189.1196 1.52 114
190.0965 0.68 51
190.4402 0.09 7
191.1198 1.97 148
192.1312 1.80 135
193.1217 2.79 209
194.1373 1.69 127
194.5142 0.08 6
195.1376 4.32 324
196.1214 1.21 91
197.1496 3.26 244
197.7117 0.03 2
198.1668 0.59 44
198.6705 0.05 4
199.1642 1.23 92
200.1665 0.34 26
200.5262 0.10 8
201.1319 1.00 75
201.5651 0.10 8
202.1631 1.14 85
203.1417 1.62 122
204.1477 0.80 60
205.1371 1.67 125
206.1552 1.06 80
207.1680 2.77 208
208.1562 0.89 67
209.1762 2.36 177
210.1586 0.78 59
211.1866 1.61 121
212.1449 0.50 38
213.1713 1.01 76
214.2094 0.17 13
215.1697 1.53 115
216.1598 0.62 47
216.5141 0.05 4
217.1638 1.43 107
217.5657 0.08 6
218.1919 0.73 55
219.1784 1.66 125
220.1799 0.76 57
221.1829 1.83 137
221.7225 0.07 5
222.2043 0.46 35
223.2011 1.62 122
224.1891 0.33 25
224.6316 0.05 4
225.2126 1.04 78
226.2363 0.49 37
227.1855 0.65 49
227.6056 0.05 4
228.1723 0.60 45
228.5154 0.09 7
229.1822 1.02 77
230.1947 0.53 40
231.1790 0.93 70
232.2097 0.55 41
233.2067 1.17 88
233.5633 0.06 5
234.2119 0.55 41
235.2059 1.12 84
235.5332 0.09 7
236.2230 0.27 20
237.2029 1.01 76
238.1989 0.24 18
239.2065 0.67 50
239.6433 0.06 5
240.2178 0.26 20
240.7219 0.08 6
241.2067 0.66 50
241.6938 0.03 2
242.1775 0.38 29
242.5042 0.06 5
243.2078 0.62 47
244.2076 0.43 32
245.1962 0.71 53
245.8103 0.07 5
246.2250 0.32 24
247.2241 1.12 84
248.1942 0.37 28
249.2077 0.86 65
250.1680 0.23 17
250.7445 0.02 2
251.2379 0.51 38
251.7757 0.04 3
252.2065 0.28 21
252.5963 0.02 2
253.2108 0.42 31
253.6645 0.02 2
254.2050 0.19 14
254.7067 0.08 6
255.2039 0.78 59
256.2214 0.28 21
256.6697 0.03 2
257.2140 0.35 26
257.7057 0.02 2
258.2159 0.34 26
258.4304 0.13 10
259.2328 0.69 52
259.7682 0.03 2
260.2226 0.16 12
261.2320 0.63 47
261.7383 0.02 2
262.2640 0.18 13
263.2529 0.53 40
264.2591 0.20 15
265.2382 0.37 28
266.2220 0.18 13
266.7870 0.03 2
267.2128 0.50 38
267.6500 0.04 3
268.2597 0.15 11
269.2247 0.70 52
270.2070 0.31 23
270.7210 0.06 5
271.2500 0.38 29
272.2589 0.26 20
273.2486 0.38 29
274.1882 0.15 11
275.1931 0.41 31
275.8769 0.07 5
276.2428 0.21 16
277.2298 0.31 23
278.1678 0.23 17
279.2020 0.86 65
280.2159 0.12 9
280.7789 0.02 2
281.2162 0.30 23
281.7049 0.04 3
282.2407 0.60 45
283.2287 0.52 39
283.7417 0.02 2
284.2272 0.17 13
284.7930 0.03 2
285.2167 0.28 21
286.1984 0.17 13
286.7197 0.05 4
287.2513 0.32 24
287.8551 0.02 2
288.2493 0.06 5
288.4923 0.03 2
289.2796 0.21 16
289.6705 0.05 4
289.8310 0.03 2
290.3170 0.08 6
290.7263 0.05 4
291.1493 0.15 11
291.3694 0.21 16
292.1996 0.17 13
292.4014 0.06 5
293.2351 0.25 19
293.9210 0.03 2
294.2410 0.16 12
294.4108 0.06 5
295.2391 0.21 16
295.6544 0.07 5
296.3290 0.24 18
296.7456 0.02 2
297.2516 0.19 14
297.7451 0.02 2
298.2685 0.15 11
299.2465 0.17 13
300.3238 0.09 7
300.7628 0.07 5
301.2866 0.15 11
301.8701 0.02 2
302.2863 0.10 8
302.7173 0.02 2
303.2390 0.16 12
303.4856 0.07 5
304.5658 0.20 15
305.4489 0.26 20
306.1945 0.11 8
306.7486 0.09 7
307.3245 0.21 16
307.6859 0.08 6
308.2160 0.18 13
308.4547 0.08 6
309.2603 0.28 21
309.7124 0.10 8
310.2587 0.17 13
311.1816 0.17 13
311.7005 0.09 7
312.2527 0.07 5
312.6511 0.06 5
312.8738 0.04 3
313.3653 0.14 11
313.7258 0.01 1
314.2552 0.13 10
314.7651 0.04 3
315.3175 0.22 17
316.2433 0.11 8
316.3973 0.05 4
316.6063 0.01 1
317.3014 0.18 13
317.7184 0.09 7
318.3354 0.12 9
319.2604 0.14 11
319.8396 0.02 2
320.4338 0.05 4
320.8625 0.02 2
321.3659 0.14 11
321.8487 0.01 1
322.3419 0.17 13
323.2336 0.13 10
323.4827 0.05 4
323.8489 0.05 4
324.0820 0.05 4
324.4562 0.03 2
324.7214 0.02 2
325.3414 0.23 17
325.8386 0.03 2
326.3013 0.15 11
327.3222 0.13 10
327.5967 0.04 3
328.2962 0.08 6
328.5523 0.03 2
328.8337 0.04 3
329.2760 0.11 8
330.3042 0.09 7
330.6546 0.04 3
330.8579 0.02 2
331.3198 0.20 15
332.3126 0.12 9
332.5183 0.02 2
332.7734 0.03 2
333.3780 0.21 16
334.2434 0.07 5
334.5009 0.04 3
334.8894 0.03 2
335.3733 0.23 17
336.2644 0.21 16
337.3529 0.27 20
337.7227 0.02 2
338.2177 0.05 4
338.7816 0.02 2
339.3364 0.09 7
339.5638 0.07 5
340.3139 1.34 101
340.9906 0.04 3
341.3812 0.09 7
342.3624 0.05 4
342.6830 0.02 2
343.2897 0.06 5
344.1251 0.02 2
344.4170 0.08 6
345.2848 0.09 7
345.5916 0.04 3
345.8169 0.03 2
346.1928 0.09 7
346.7940 0.04 3
347.3630 0.13 10
347.8171 0.02 2
348.3265 0.08 6
348.8140 0.02 2
349.3245 0.17 13
350.2962 0.11 8
351.2806 0.05 4
351.8982 0.05 4
352.2720 0.21 16
352.6551 0.01 1
353.3130 0.54 41
354.2552 0.04 3
355.0502 0.05 4
355.3136 0.05 4
355.6059 0.01 1
356.1501 0.03 2
356.4297 0.03 2
356.7140 0.03 2
357.2283 0.08 6
357.5022 0.09 7
358.2756 0.15 11
358.5357 0.04 3
358.9558 0.04 3
359.3564 0.08 6
360.1460 0.06 5
360.6513 0.04 3
361.2971 0.13 10
362.2769 0.18 13
362.9297 0.01 1
363.3212 0.15 11
364.2339 0.02 2
364.5891 0.03 2
364.9179 0.01 1
365.3731 0.03 2
366.7447 0.01 1
367.4127 0.03 2
367.6266 0.01 1
368.0302 0.01 1
368.2866 0.04 3
368.4648 0.01 1
368.6948 0.02 2
368.9110 0.04 3
369.2767 0.03 2
369.6229 0.02 2
370.0380 0.03 2
370.2105 0.02 2
370.4498 0.01 1
371.2975 0.08 6
371.5356 0.06 5
372.3408 0.04 3
372.8665 0.01 1
373.4474 0.21 16
373.8938 0.03 2
374.3851 0.14 11
374.9765 0.03 2
375.3539 0.14 11
375.7566 0.01 1
376.3584 0.17 13
376.6357 0.03 2
376.8452 0.01 1
377.3262 0.06 5
377.7244 0.01 1
378.1902 0.01 1
378.6201 0.04 3
379.1731 0.02 2
379.6202 0.01 1
380.2582 0.01 1
380.6560 0.04 3
381.2826 0.05 4
382.2588 0.04 3
382.7440 0.01 1
383.2396 0.07 5
383.4420 0.04 3
383.7180 0.02 2
384.4080 0.04 3
384.7231 0.02 2
385.1969 0.08 6
385.4016 0.04 3
386.3367 0.06 5
386.8992 0.04 3
387.4099 0.24 18
387.9091 0.02 2
388.3440 0.28 21
389.2735 0.14 11
390.2687 0.07 5
390.6588 0.03 2
391.1213 0.01 1
391.4332 0.01 1
391.8727 0.06 5
392.1178 0.04 3
392.4700 0.04 3
392.7588 0.07 5
393.3791 0.06 5
393.7290 0.07 5
394.0892 0.01 1
394.3309 0.07 5
394.7211 0.06 5
395.1136 0.04 3
395.3932 0.04 3
395.9699 0.05 4
396.4465 0.02 2
396.7285 0.03 2
397.1809 0.04 3
397.4698 0.06 5
397.9292 0.06 5
398.1790 0.08 6
399.3384 0.24 18
399.5364 0.13 10
400.3309 0.12 9
400.7685 0.06 5
401.3373 0.30 23
402.3542 0.68 51
402.7250 0.07 5
403.3469 0.64 48
403.7385 0.09 7
403.9320 0.04 3
404.3927 0.14 11
405.0700 0.02 2
405.4374 0.02 2
405.7450 0.05 4
406.6619 0.09 7
407.7472 0.17 13
409.5932 0.23 17
411.6522 0.32 24
414.4214 3.89 292
415.3660 0.31 23
416.3498 0.37 28
417.4350 2.38 179
418.3384 0.07 5
418.7423 0.02 2
419.1958 0.05 4
419.4559 0.02 2
419.8657 0.01 1
420.0706 0.01 1
420.8095 0.01 1
421.1583 0.01 1
421.7039 0.04 3
422.1402 0.05 4
422.5489 0.08 6
423.2649 0.16 12
424.8364 0.27 20
432.3324 99.97 999
433.4424 7.80 585
434.2151 2.67 200
435.0776 1.18 88
435.6963 0.64 48
//
