MassBank Record: MSBNK-Kyoto_Univ-CA000011
ACCESSION: MSBNK-Kyoto_Univ-CA000011
RECORD_TITLE: 10'-Apozeaxanthinal; FAB-EBEB; MS2; m/z: 392.27; [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] CA000011.jpg
CH$NAME: 10'-Apozeaxanthinal
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C27H36O2
CH$EXACT_MASS: 392.27153
CH$SMILES: C(=C1C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=O)(C)CC(O)CC1(C)C
CH$IUPAC: InChI=1S/C27H36O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-18,25,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+/t25-/m1/s1
CH$LINK: INCHIKEY
HQPQTQQUHPFUOA-ZCPYHVQDSA-N
AC$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 91.0541
MS$FOCUSED_ION: PRECURSOR_M/Z 392.27
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+*
MS$DATA_PROCESSING: RELATIVE_M/Z normalised by peak(m/z=91.0541). set 999 for peak(m/z=392.2624,rel=4865).
PK$SPLASH: splash10-0006-2923000000-95a06c9d61bfe714179e
PK$NUM_PEAK: 574
PK$PEAK: m/z int. rel.int.
13.0099 0.03 1
14.0147 0.04 2
15.0223 0.17 8
22.8240 0.01 0
23.9850 0.01 0
24.9894 0.05 2
26.0146 0.21 10
26.4021 0.01 0
27.0157 1.18 57
28.0218 0.09 4
29.0186 0.98 48
29.9661 0.01 0
31.0055 0.12 6
35.9631 0.02 1
36.6787 0.01 0
36.9997 0.10 5
37.4211 0.01 0
37.9998 0.35 17
38.4699 0.01 0
39.0009 2.52 123
39.3638 0.01 0
39.5714 0.01 0
39.7626 0.01 0
40.0075 0.22 11
41.0131 3.97 193
42.0051 0.11 5
42.9993 2.38 116
44.0308 0.08 4
44.9961 0.13 6
45.9659 0.01 0
48.0399 0.01 0
48.6279 0.01 0
48.9776 0.14 7
49.9967 1.04 51
50.3472 0.02 1
51.0005 2.53 123
52.0064 0.92 45
52.4611 0.01 0
52.6194 0.01 0
53.0092 3.72 181
54.0053 0.19 9
54.6832 0.01 0
55.0160 6.14 299
56.0171 0.14 7
57.0274 2.75 134
57.5281 0.02 1
58.0208 0.08 4
58.3148 0.01 0
59.0153 0.43 21
59.9482 0.01 0
60.2681 0.01 0
61.0089 0.18 9
61.6922 0.01 0
62.0088 0.69 34
62.4500 0.02 1
63.0085 2.04 99
63.6045 0.01 0
64.0106 0.57 28
65.0132 3.76 183
65.4704 0.01 0
66.0253 0.68 33
66.5560 0.01 0
67.0271 3.75 182
68.0137 0.22 11
69.0212 3.30 161
69.4358 0.02 1
69.7264 0.01 0
70.0199 0.14 7
70.5093 0.01 0
71.0258 1.32 64
72.0025 0.12 6
73.0192 0.06 3
73.5410 0.01 0
74.0065 0.52 25
74.3208 0.01 0
75.0238 0.79 38
76.0224 0.47 23
77.0252 11.23 546
78.0303 2.58 126
78.4953 0.05 2
79.0387 8.61 419
79.6666 0.03 1
80.0410 1.12 54
80.5313 0.03 1
81.0436 6.32 308
81.5209 0.02 1
82.0258 0.35 17
82.3028 0.02 1
82.5285 0.08 4
83.0542 1.72 84
83.5513 0.01 0
84.0349 0.15 7
85.0457 2.49 121
85.5184 0.02 1
86.0207 0.26 13
87.0494 0.50 24
87.5715 0.02 1
88.0346 0.20 10
88.4792 0.03 1
89.0481 1.47 72
89.4414 0.08 4
90.0664 0.54 26
91.0541 20.53 999
91.5305 0.04 2
92.0577 1.97 96
93.0593 8.20 399
94.0529 0.64 31
94.5833 0.06 3
95.0510 7.46 363
96.0401 0.43 21
96.5789 0.04 2
97.0538 0.65 32
97.5733 0.04 2
98.0440 0.14 7
98.4537 0.02 1
99.0231 0.15 7
99.3113 0.02 1
99.5410 0.01 0
100.0246 0.04 2
101.0412 0.38 18
102.0446 1.27 62
103.0553 4.11 200
103.5955 0.04 2
104.0393 1.73 84
105.0508 19.25 937
106.0568 2.15 105
106.5690 0.06 3
107.0543 5.76 280
107.5050 0.11 5
108.0386 0.86 42
108.5297 0.05 2
109.0513 3.10 151
109.4495 0.04 2
109.6219 0.02 1
110.0291 0.23 11
110.5019 0.08 4
111.0462 0.43 21
111.5664 0.02 1
112.0381 0.09 4
113.0722 0.30 15
114.0684 0.47 23
115.0362 12.41 604
116.0306 3.93 191
117.0437 8.92 434
117.4907 0.07 3
118.0422 1.98 96
119.0466 13.19 642
119.5349 0.12 6
120.0481 2.14 104
121.0506 5.48 267
121.4630 0.07 3
122.0327 0.62 30
122.3332 0.05 2
123.0461 1.17 57
123.3874 0.05 2
123.6852 0.05 2
124.0515 0.18 9
124.5407 0.05 2
125.0747 0.31 15
126.0444 0.68 33
127.0446 4.16 202
128.0418 13.49 656
129.0459 13.59 661
130.0528 4.42 215
131.0546 10.31 502
131.5149 0.08 4
132.0582 2.14 104
132.3713 0.09 4
133.0686 7.75 377
134.0839 0.97 47
135.0700 3.34 163
135.6268 0.05 2
136.0429 0.44 21
136.3480 0.06 3
137.0755 0.98 48
138.0369 0.32 16
138.5839 0.05 2
139.0661 1.86 91
139.4200 0.05 2
140.0860 0.68 33
141.0746 10.71 521
142.0800 8.49 413
143.0921 11.52 561
143.5598 0.09 4
144.0949 3.93 191
145.0984 11.95 581
146.0995 1.52 74
146.4270 0.11 5
147.1134 3.97 193
147.5853 0.06 3
148.1008 0.55 27
149.0827 2.69 131
149.5209 0.05 2
150.0680 1.30 63
151.1010 1.66 81
152.0943 4.53 220
153.0984 5.86 285
153.5482 0.09 4
154.1081 2.63 128
154.5763 0.08 4
155.1032 8.63 420
156.1080 4.95 241
157.1094 10.96 533
158.1134 2.78 135
159.1058 7.78 379
160.0947 1.11 54
161.1034 2.43 118
161.5279 0.09 4
162.0984 0.44 21
162.4522 0.08 4
163.0930 1.16 56
164.1013 0.79 38
165.0776 8.79 428
166.0859 3.11 151
167.0764 6.49 316
168.0807 2.68 130
168.5525 0.07 3
169.0956 7.25 353
170.0937 2.58 126
171.1015 5.79 282
172.0975 1.53 74
172.5264 0.09 4
173.1144 4.11 200
174.0899 0.65 32
174.3642 0.09 4
175.1200 2.19 107
175.5852 0.11 5
176.0801 0.96 47
177.0866 1.47 72
178.0751 4.82 235
179.0845 6.05 294
179.4739 0.09 4
180.0943 2.06 100
181.0944 5.88 286
181.5731 0.08 4
182.0938 2.34 114
182.4663 0.11 5
183.1049 5.95 290
184.1042 1.66 81
185.1059 3.75 182
186.0957 0.89 43
186.4688 0.06 3
187.1218 1.83 89
188.1227 0.76 37
189.1065 3.21 156
189.5405 0.12 6
190.1173 0.88 43
191.1070 3.14 153
192.1166 2.16 105
193.1163 4.60 224
194.1255 2.26 110
195.1331 5.18 252
196.1493 1.44 70
197.1463 4.80 234
198.1324 1.01 49
199.1496 2.76 134
200.1446 0.61 30
201.1635 1.54 75
202.1301 2.17 106
203.1283 2.19 107
203.5605 0.05 2
204.1504 0.92 45
204.6435 0.07 3
205.1368 2.09 102
206.1441 1.56 76
207.1425 2.91 142
207.5393 0.09 4
208.1587 1.55 75
209.1577 3.69 180
209.7579 0.03 1
210.1890 0.92 45
211.1680 2.01 98
212.1772 0.61 30
212.5106 0.10 5
213.1620 1.51 73
214.1077 0.34 17
215.1426 2.15 105
216.1447 1.06 52
217.1647 2.36 115
218.1477 0.95 46
218.6543 0.13 6
219.1693 2.28 111
220.1684 0.82 40
220.5201 0.07 3
221.1812 2.37 115
222.1684 0.81 39
223.1900 2.49 121
223.6449 0.09 4
224.1783 0.65 32
225.2051 1.52 74
226.1535 0.78 38
227.1890 0.96 47
227.5791 0.10 5
228.1679 0.85 41
228.4980 0.10 5
229.1667 1.25 61
230.1637 0.81 39
230.5934 0.09 4
231.1836 1.33 65
231.5638 0.07 3
231.7554 0.05 2
232.1987 0.68 33
232.6939 0.05 2
233.2006 1.47 72
234.1933 0.55 27
234.5913 0.10 5
235.2070 1.34 65
236.2055 0.48 23
236.5279 0.04 2
237.1948 1.22 59
237.7538 0.06 3
238.1936 0.46 22
239.1794 1.40 68
240.1424 0.46 22
241.1917 0.85 41
241.6604 0.05 2
242.2008 0.45 22
243.1790 1.03 50
243.7019 0.06 3
244.1926 0.35 17
244.6980 0.05 2
245.1920 1.03 50
246.1760 0.48 23
246.5549 0.06 3
247.1913 1.38 67
248.1872 0.57 28
248.7179 0.02 1
249.2081 1.11 54
250.1743 0.45 22
250.5815 0.02 1
251.2351 0.75 36
252.2002 0.42 20
253.2236 0.67 33
253.7966 0.02 1
254.1911 0.29 14
254.5576 0.05 2
255.2066 0.74 36
255.7809 0.04 2
256.1921 0.36 18
256.6637 0.05 2
257.2018 0.84 41
257.7056 0.06 3
258.2116 0.46 22
259.2102 0.87 42
260.1902 0.33 16
260.4906 0.06 3
261.1975 0.85 41
261.5977 0.05 2
262.2278 0.29 14
262.5845 0.06 3
263.2167 0.98 48
264.1850 0.26 13
265.2596 0.56 27
266.1575 0.18 9
266.7277 0.04 2
267.2022 0.73 36
267.5706 0.08 4
268.2159 0.19 9
269.2173 0.78 38
269.7233 0.04 2
270.2304 0.37 18
271.2238 0.77 37
272.2267 0.32 16
272.7684 0.06 3
273.1778 0.58 28
273.6258 0.02 1
274.1978 0.24 12
274.5510 0.03 1
275.2033 0.49 24
276.1798 0.23 11
276.4174 0.10 5
277.2304 0.47 23
277.7413 0.05 2
278.2542 0.31 15
278.6149 0.14 7
279.1926 0.38 18
280.2072 0.18 9
280.7152 0.04 2
281.2023 0.27 13
281.5757 0.04 2
282.2350 0.48 23
283.2303 0.54 26
283.4797 0.17 8
283.6372 0.05 2
284.2341 0.56 27
285.2402 0.36 18
285.7328 0.05 2
286.2192 0.20 10
286.3863 0.09 4
286.6984 0.03 1
287.2193 0.44 21
288.2007 0.18 9
288.5397 0.03 1
289.2516 0.37 18
289.6144 0.06 3
290.1982 0.10 5
290.7018 0.03 1
291.2232 0.30 15
291.5986 0.05 2
291.8374 0.01 0
292.2139 0.16 8
292.5830 0.03 1
293.2120 0.32 16
293.5447 0.04 2
293.8023 0.03 1
294.2895 0.24 12
295.2629 0.28 14
296.2426 0.19 9
296.7414 0.05 2
297.2663 0.32 16
297.5418 0.07 3
297.8080 0.01 0
298.2171 0.10 5
298.4238 0.07 3
298.6158 0.03 1
299.2589 0.25 12
299.8455 0.03 1
300.2558 0.78 38
301.2477 0.28 14
301.5213 0.08 4
301.6998 0.02 1
302.2617 0.18 9
302.8036 0.04 2
303.2611 0.31 15
303.5870 0.05 2
304.2314 0.17 8
304.6848 0.03 1
305.2635 0.26 13
306.2320 0.08 4
307.2780 0.34 17
307.6688 0.03 1
308.2592 0.25 12
308.8602 0.05 2
309.2762 0.23 11
310.2273 0.12 6
310.6988 0.04 2
310.8807 0.02 1
311.2503 0.12 6
312.2764 0.37 18
312.7890 0.02 1
313.2703 0.89 43
313.6733 0.03 1
314.2726 0.15 7
314.7144 0.01 0
315.3138 0.20 10
316.2140 0.07 3
316.5889 0.01 0
316.8145 0.01 0
317.3337 0.23 11
317.9071 0.06 3
318.3187 0.14 7
319.3300 0.19 9
319.7009 0.03 1
320.2714 0.08 4
320.4261 0.04 2
320.7688 0.02 1
321.2589 0.13 6
321.8076 0.03 1
322.2047 0.06 3
322.5423 0.03 1
323.1585 0.06 3
323.3620 0.05 2
324.2494 0.04 2
325.2517 0.07 3
325.6860 0.01 0
326.0244 0.02 1
326.2593 0.04 2
326.4723 0.01 0
326.9422 0.04 2
327.3756 0.05 2
327.6858 0.04 2
327.9647 0.04 2
328.2278 0.03 1
328.6884 0.04 2
329.2880 0.22 11
329.9252 0.03 1
330.3096 0.03 1
331.2708 0.27 13
331.5226 0.05 2
331.8287 0.01 0
332.3344 0.12 6
333.3218 0.61 30
333.7064 0.07 3
334.2248 0.18 9
335.2417 0.30 15
336.2608 0.19 9
336.6925 0.06 3
337.2528 0.42 20
337.7013 0.04 2
337.9721 0.06 3
338.2292 0.10 5
338.4749 0.05 2
338.6820 0.01 0
339.2403 0.05 2
339.5979 0.03 1
339.9064 0.03 1
340.2786 0.04 2
340.6739 0.03 1
341.2993 0.03 1
341.8975 0.03 1
342.2960 0.09 4
342.6547 0.02 1
343.1400 0.12 6
343.3681 0.07 3
343.9214 0.04 2
344.2928 0.13 6
344.8012 0.05 2
345.3222 0.17 8
345.6528 0.03 1
346.2387 0.11 5
346.5673 0.06 3
346.7859 0.03 1
347.3029 0.45 22
347.8564 0.06 3
348.3210 0.26 13
348.6768 0.06 3
349.3121 0.22 11
350.3028 0.22 11
350.7218 0.06 3
351.1178 0.07 3
351.3884 0.07 3
351.7123 0.09 4
351.9913 0.07 3
352.1501 0.03 1
352.4595 0.03 1
352.9872 0.08 4
353.2307 0.05 2
353.5986 0.09 4
354.0386 0.08 4
354.3302 0.08 4
355.2197 0.19 9
355.6399 0.13 6
356.1615 0.14 7
356.6026 0.18 9
357.3166 0.17 8
358.0098 0.15 7
358.7029 0.17 8
359.3387 0.43 21
359.7977 0.07 3
360.1114 0.18 9
360.2787 0.09 4
361.2732 0.46 22
362.3107 0.91 44
363.3127 1.94 94
363.7892 0.09 4
364.3188 0.30 15
364.6866 0.05 2
365.2936 0.05 2
365.7512 0.04 2
366.0981 0.03 1
366.7501 0.10 5
373.5722 6.83 332
375.3590 0.67 33
376.2175 0.54 26
377.3814 5.11 249
378.1563 0.04 2
378.5590 0.09 4
378.8518 0.05 2
379.2022 0.04 2
379.4449 0.02 1
379.7691 0.02 1
380.0578 0.03 1
380.2701 0.02 1
380.6237 0.02 1
380.8664 0.02 1
381.1488 0.01 0
382.0390 0.02 1
382.6584 0.06 3
383.1176 0.10 5
384.0279 0.11 5
392.2624 99.97 999
394.1462 3.03 147
394.7984 1.12 54
395.8929 0.38 18
//
system version 2.2.6-SNAPSHOT
