MassBank Record: MSBNK-Kyoto_Univ-CA000037
ACCESSION: MSBNK-Kyoto_Univ-CA000037
RECORD_TITLE: Cryptocapsin; FAB-EBEB; MS2; m/z: 568.43; [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] CA000037.jpg
CH$NAME: Cryptocapsin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C40H56O2
CH$EXACT_MASS: 568.42803
CH$SMILES: C(=CC(=C(C)2)C(C)(C)CCC2)C(C)=CC=CC(=CC=CC=C(C=CC=C(C=CC(=O)C(C(C)(C)1)(C)CC(C1)O)C)C)C
CH$IUPAC: InChI=1S/C40H56O2/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-27-38(36,6)7)16-11-12-17-31(2)19-14-21-33(4)24-26-37(42)40(10)29-35(41)28-39(40,8)9/h11-14,16-21,23-26,35,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t35-,40-/m0/s1
CH$LINK: CAS
7044-42-0
CH$LINK: LIPIDBANK
VCA0047
CH$LINK: NIKKAJI
J15.385K
CH$LINK: INCHIKEY
ITZNDVRDABSNRE-VUWSZMCHSA-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$FOCUSED_ION: BASE_PEAK 109.1140
MS$FOCUSED_ION: PRECURSOR_M/Z 568.43
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+*
MS$DATA_PROCESSING: RELATIVE_M/Z normalised by peak(m/z=109.1140). set 999 for peak(m/z=568.4383,rel=2665).
PK$SPLASH: splash10-066r-2920020000-8e3a1df48bf4e8fa1c06
PK$NUM_PEAK: 710
PK$PEAK: m/z int. rel.int.
1.2503 0.01 0
4.7484 0.01 0
11.4149 0.01 0
14.0151 0.02 1
15.0230 0.08 2
15.5761 0.01 0
18.9961 0.01 0
23.7223 0.01 0
25.0318 0.01 0
26.0226 0.14 4
27.0276 1.20 32
27.6444 0.04 1
28.0402 0.17 5
29.0404 1.36 36
31.0279 0.10 3
32.7297 0.01 0
36.7744 0.01 0
37.0290 0.06 2
38.0034 0.23 6
39.0362 2.86 76
40.0357 0.35 9
41.0498 8.38 223
42.0572 0.17 5
43.0480 6.98 186
44.0364 0.08 2
44.6540 0.01 0
45.0457 0.08 2
47.0103 0.02 1
47.9753 0.01 0
49.0275 0.02 1
49.4007 0.02 1
50.0234 0.53 14
50.5796 0.01 0
51.0319 1.70 45
51.4741 0.01 0
52.0327 0.60 16
53.0437 4.23 113
53.4819 0.01 0
54.0545 0.26 7
54.6311 0.06 2
55.0582 13.33 355
56.0728 0.26 7
56.5499 0.02 1
57.0753 2.51 67
58.0653 0.04 1
59.0728 0.33 9
60.2107 0.04 1
61.0595 0.06 2
62.0295 0.35 9
62.3501 0.01 0
63.0410 1.14 30
64.0437 0.36 10
64.3102 0.03 1
65.0482 2.78 74
65.6418 0.01 0
66.0614 0.69 18
66.5104 0.01 0
67.0643 5.74 153
67.5894 0.01 0
68.0638 0.25 7
68.5029 0.01 0
69.0705 18.77 500
69.5656 0.03 1
70.0579 0.14 4
71.0585 2.78 74
71.6070 0.01 0
72.1138 0.01 0
73.0627 0.08 2
73.7214 0.02 1
74.0317 0.23 6
74.5426 0.02 1
75.0715 0.58 15
75.6494 0.10 3
76.0369 0.33 9
77.0510 9.23 246
77.6771 0.12 3
78.0571 1.41 38
79.0611 9.22 246
79.6959 0.06 2
80.0619 0.95 25
81.0767 10.94 292
82.0593 0.48 13
83.0911 32.62 869
84.0992 0.25 7
84.6302 0.02 1
85.1050 5.45 145
86.0599 0.17 5
86.6368 0.05 1
87.0631 0.26 7
88.0100 0.15 4
89.0486 0.81 22
89.2609 0.20 5
90.0872 0.44 12
91.0769 20.83 555
92.0805 2.02 54
93.0915 13.10 349
94.0965 0.57 15
95.1017 11.41 304
96.0921 0.36 10
97.0989 1.95 52
97.6518 0.01 0
98.0751 0.15 4
99.0716 1.20 32
99.6046 0.01 0
100.0295 0.05 1
100.5373 0.03 1
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101.4481 0.06 2
101.7131 0.07 2
102.0754 1.05 28
103.0796 3.92 104
104.0817 1.82 49
105.0949 28.98 772
106.1033 2.25 60
107.1032 12.30 328
107.6721 0.07 2
108.1024 1.19 32
109.1140 37.48 999
110.0767 0.34 9
111.0836 1.58 42
111.5990 0.01 0
112.0668 0.17 5
113.0555 0.40 11
113.6207 0.12 3
114.0605 0.34 9
115.0617 10.58 282
116.0685 4.34 116
117.0727 12.68 338
117.5821 0.08 2
118.0744 2.34 62
119.0869 28.48 759
120.0956 2.50 67
121.0853 12.55 335
122.0738 1.14 30
123.0961 4.59 122
124.0424 0.20 5
125.0891 9.42 251
126.0543 0.48 13
127.0779 7.97 212
128.0564 12.83 342
129.0593 16.40 437
130.0662 6.69 178
131.0703 17.52 467
132.0755 3.72 99
133.0833 14.03 374
134.0937 1.04 28
135.0654 4.22 112
135.5527 0.05 1
136.0473 0.36 10
137.0827 1.87 50
137.7051 0.03 1
138.0600 0.19 5
138.3334 0.05 1
139.0534 1.35 36
140.0909 0.80 21
141.0574 11.32 302
142.0706 10.71 285
143.0766 19.40 517
144.0836 6.32 168
145.0847 23.68 631
146.0840 2.32 62
147.0982 8.04 214
148.0924 0.57 15
149.1267 1.34 36
149.5387 0.09 2
150.0530 0.42 11
151.0891 1.67 45
152.0857 4.03 107
153.0887 6.35 169
154.0941 3.74 100
155.1003 13.33 355
156.1060 7.92 211
157.1168 19.89 530
158.1102 4.09 109
159.1142 25.83 688
160.1473 1.64 44
161.1431 6.24 166
162.1411 0.31 8
163.1188 1.07 29
164.0943 0.49 13
165.1188 10.79 288
166.1242 3.81 102
167.1275 8.59 229
168.1355 3.53 94
169.1424 12.20 325
170.1458 4.28 114
171.1485 10.99 293
172.1490 2.00 53
173.1545 7.05 188
173.6994 0.14 4
174.1664 0.69 18
175.1762 4.45 119
176.1298 0.91 24
176.5692 0.11 3
177.1694 3.17 84
178.1115 5.58 149
179.1125 8.55 228
180.1128 3.67 98
181.1165 10.30 275
182.1381 4.71 126
183.1274 11.83 315
184.1260 2.64 70
185.1308 7.45 199
186.1492 1.33 35
187.1582 3.99 106
188.1520 0.63 17
189.1249 3.05 81
190.0668 1.17 31
191.1096 4.28 114
192.1187 3.31 88
193.1096 8.69 232
194.1226 3.98 106
195.1204 12.13 323
196.1259 3.46 92
197.1248 9.31 248
198.1241 1.83 49
199.1298 4.25 113
200.1447 0.79 21
201.1616 3.12 83
202.1024 2.27 61
203.1203 4.03 107
204.1127 1.10 29
204.5361 0.13 3
205.1171 3.98 106
206.1221 2.91 78
207.1246 6.65 177
208.1218 3.03 81
209.1297 9.62 256
210.1467 2.24 60
211.1468 5.04 134
212.1416 1.01 27
213.1774 2.13 57
213.7115 0.19 5
214.1949 0.50 13
215.1228 2.53 67
216.1252 1.16 31
217.1280 2.35 63
218.1691 1.48 39
219.1466 4.22 112
220.1624 2.06 55
220.6573 1.31 35
221.1582 8.46 225
222.1632 1.91 51
223.1730 4.99 133
224.1526 0.89 24
224.4879 0.10 3
225.1938 2.84 76
226.1742 0.60 16
226.6003 0.10 3
227.1988 1.86 50
228.1756 1.03 27
228.5889 0.13 3
229.1604 1.90 51
230.1653 1.20 32
230.5504 0.10 3
231.1588 2.45 65
232.1645 1.51 40
233.1851 3.90 104
234.1740 1.30 35
235.1881 3.89 104
236.1733 0.99 26
236.5886 0.13 3
237.1984 3.33 89
238.2063 0.73 19
239.1999 2.76 74
240.1954 0.48 13
241.1985 1.44 38
242.1976 0.78 21
243.2029 2.22 59
244.1572 0.75 20
245.1866 1.99 53
246.2105 1.12 30
247.1834 3.05 81
247.6061 0.09 2
248.1742 1.04 28
249.2036 2.51 67
250.1891 0.74 20
250.6769 0.16 4
251.2118 2.27 61
252.2333 0.89 24
253.2434 2.17 58
254.2435 0.80 21
255.2379 1.22 33
256.2193 0.72 19
257.1775 1.41 38
258.2021 0.62 17
259.2271 1.80 48
260.2318 0.80 21
260.5878 0.22 6
261.2132 2.33 62
261.6635 0.05 1
262.2067 0.63 17
262.5791 0.04 1
263.2314 2.13 57
264.2387 0.56 15
265.2050 1.93 51
266.2527 0.72 19
267.2285 2.09 56
268.2414 0.82 22
269.2560 1.66 44
269.6735 0.09 2
270.2518 0.38 10
271.1991 1.12 30
272.2012 0.47 13
273.2219 1.48 39
274.2104 0.45 12
275.2286 1.59 42
276.1970 0.55 15
276.6856 0.09 2
277.2394 1.29 34
278.2451 0.41 11
278.6513 0.04 1
279.2600 1.19 32
280.2560 0.58 15
281.2388 1.38 37
282.2352 0.31 8
282.5827 0.05 1
283.2216 0.71 19
283.8354 0.04 1
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285.2319 0.79 21
285.7335 0.04 1
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286.5298 0.06 2
287.2491 1.35 36
288.2352 0.35 9
289.2466 0.98 26
289.7864 0.09 2
290.2242 0.22 6
290.6294 0.04 1
291.2344 0.96 26
292.2657 0.45 12
293.2794 1.01 27
294.2283 0.30 8
295.2380 0.48 13
295.6615 0.09 2
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296.7086 0.04 1
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297.5175 0.09 2
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301.2300 1.01 27
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305.6742 0.07 2
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306.4371 0.14 4
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309.2105 0.40 11
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311.1951 0.73 19
312.2218 0.16 4
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314.2046 0.32 9
314.5777 0.09 2
315.2349 0.62 17
316.1970 0.21 6
316.4736 0.11 3
317.2440 1.17 31
318.2512 0.39 10
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323.7765 0.01 0
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325.6712 0.04 1
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331.3128 0.70 19
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342.7033 0.06 2
343.2760 0.57 15
344.2964 0.31 8
344.7275 0.05 1
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347.7733 0.04 1
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349.5050 0.05 1
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355.8788 0.05 1
357.2433 0.70 19
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360.3503 1.15 31
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362.8696 0.03 1
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550.5714 5.38 143
551.5569 1.08 29
552.5064 1.91 51
553.5618 22.67 604
568.4383 99.97 999
571.2966 11.68 311
572.8414 3.13 83
574.1432 1.59 42
//
