MassBank Record: MSBNK-Kyoto_Univ-CA000047
ACCESSION: MSBNK-Kyoto_Univ-CA000047
RECORD_TITLE: Cucurbitachrome A; FAB-EBEB; MS2; m/z: 600.42; [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: 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 Takao Matsuno, Yasuko Tani, Takashi Maoka, Kenji Matsuo and Tadaaki Komori, Isolation and structural elucidation of cucurubitaxanthin A and B from pumpkin Cucurbita maxima, Phytochemistry, 25, 2837-2840 (1986). doi:10.1016/S0031-9422(00)83753-X
COMMENT: Profile spectrum of this record is given as a JPEG file.
COMMENT: [Profile] CA000047.jpg
CH$NAME: Cucurbitachrome A
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C40H56O4
CH$EXACT_MASS: 600.41786
CH$SMILES: C(O4)(C=C(C34C)C(CC(C3)O)(C)C)C(C)=CC=CC(=CC=CC=C(C=CC=C(C)C=CC(C(C)(O)1)(C(C)(C)2)OC(C2)C1)C)C
CH$IUPAC: InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-40-37(7,8)26-33(43-40)27-39(40,10)42)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)25-38(35,9)44-34/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34+,38+,39+,40+/m0/s1
CH$LINK: CAS
181229-73-2
CH$LINK: NIKKAJI
J755.058H
CH$LINK: INCHIKEY
YMNKXGQZDVGTFM-WUGUVYSPSA-N
AC$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 520.4631
MS$FOCUSED_ION: PRECURSOR_M/Z 600.42
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+*
MS$DATA_PROCESSING: RELATIVE_M/Z normalised by peak(m/z=520.4631). set 999 for peak(m/z=600.5490,rel=4235).
PK$SPLASH: splash10-0udi-1941133000-76e3bfe37bb10155f6c1
PK$NUM_PEAK: 680
PK$PEAK: m/z int. rel.int.
14.0380 0.02 1
15.0481 0.19 8
19.0257 0.01 0
23.0152 0.05 2
25.0272 0.01 0
26.0348 0.07 3
27.0498 0.50 21
28.0485 0.05 2
29.0606 0.43 18
31.0521 0.10 4
37.0301 0.04 2
37.4035 0.01 0
38.0257 0.03 1
38.4281 0.01 0
39.0560 0.65 28
40.0520 0.10 4
41.0731 0.92 39
42.0846 0.06 3
43.0507 3.86 164
44.0506 0.02 1
44.7423 0.01 0
45.0759 0.04 2
50.0309 0.07 3
51.0500 0.10 4
52.0941 0.04 2
53.0685 0.19 8
54.0482 0.03 1
55.0618 0.87 37
56.0520 0.06 3
57.0665 0.37 16
57.5224 0.01 0
58.0570 0.03 1
59.0816 0.15 6
60.1407 0.01 0
61.2049 0.01 0
62.0459 0.04 2
63.0088 0.11 5
63.5915 0.01 0
64.0356 0.03 1
65.0468 0.39 17
66.0823 0.08 3
67.0614 0.71 30
68.0747 0.06 3
69.0511 1.26 53
69.5305 0.02 1
70.0414 0.18 8
70.6352 0.01 0
71.0352 0.43 18
72.0119 0.01 0
73.0953 0.03 1
73.7370 0.01 0
74.0583 0.06 3
75.0347 0.13 6
76.0665 0.06 3
76.6098 0.01 0
77.0388 1.51 64
77.5208 0.02 1
78.0456 0.34 14
79.0555 1.70 72
80.0579 0.46 19
81.0633 2.21 94
82.0503 0.25 11
83.0721 3.08 130
84.0433 0.09 4
84.5352 0.01 0
85.0599 1.01 43
86.1760 0.06 3
87.0476 0.50 21
87.4571 0.01 0
88.1370 0.05 2
89.0670 0.23 10
89.4461 0.03 1
90.0643 0.16 7
90.5529 0.04 2
91.0748 5.43 230
92.0769 0.56 24
92.5788 0.02 1
93.0813 4.60 195
93.6938 0.01 0
94.0881 0.36 15
95.0749 4.98 211
95.6675 0.01 0
96.0740 0.42 18
97.0752 1.39 59
98.0676 0.26 11
99.0952 0.19 8
100.1139 0.05 2
101.1014 0.08 3
101.7238 0.02 1
102.0797 0.38 16
103.0822 1.13 48
104.0866 0.60 25
105.0817 7.67 325
106.0899 1.11 47
107.0887 4.37 185
108.1115 0.73 31
108.5609 0.04 2
109.0893 3.71 157
110.1251 0.25 11
110.6888 0.02 1
111.0837 1.34 57
112.0665 0.15 6
112.4284 0.01 0
113.0962 1.33 56
113.6854 0.04 2
114.1503 0.18 8
115.0812 3.41 144
116.0704 1.64 69
117.0839 3.86 164
118.0762 0.85 36
119.0814 8.73 370
120.0766 1.30 55
121.0733 5.17 219
122.0714 1.07 45
122.5194 0.05 2
123.0595 3.35 142
124.0605 0.40 17
125.0513 4.75 201
126.0665 0.40 17
126.4014 0.07 3
127.0716 1.18 50
127.4763 0.16 7
128.0664 4.18 177
129.0625 5.36 227
129.6017 0.04 2
130.0600 2.21 94
131.0702 5.86 248
132.0702 1.65 70
133.0714 5.56 236
134.0737 0.77 33
135.0657 3.43 145
136.0822 1.45 61
137.0531 1.57 67
138.0612 0.23 10
138.3662 0.06 3
139.0822 2.80 119
140.0809 0.25 11
141.0688 3.48 147
142.0579 3.45 146
143.0716 7.15 303
144.0864 2.83 120
145.0905 9.18 389
146.0719 1.26 53
147.0780 4.31 183
148.0852 0.80 34
149.0933 2.37 100
150.0787 0.49 21
151.0650 4.34 184
152.1118 1.70 72
153.1001 2.56 108
153.6720 0.11 5
154.1012 1.08 46
155.1032 4.78 203
156.1061 2.65 112
157.1100 7.06 299
158.1266 1.60 68
159.1083 5.62 238
160.1028 3.67 155
161.1222 2.32 98
161.5782 0.10 4
162.1424 0.76 32
163.1275 2.41 102
164.1374 0.42 18
165.1361 5.09 216
166.1235 1.41 60
166.6176 0.15 6
167.1479 2.69 114
168.1611 1.37 58
169.1509 4.37 185
170.1536 1.80 76
171.1540 4.40 186
172.1546 1.39 59
173.1439 3.48 147
174.1460 0.73 31
174.5567 0.10 4
175.1609 2.05 87
176.1281 0.57 24
177.1445 0.95 40
178.1252 1.72 73
178.6098 0.17 7
179.1430 3.62 153
179.6157 0.13 6
180.1251 3.82 162
181.1321 11.85 502
182.1276 1.71 72
183.1360 4.32 183
184.1207 1.32 56
184.6194 0.08 3
185.1425 3.15 133
186.1164 0.88 37
187.1395 1.71 72
188.1390 0.53 22
189.1390 2.10 89
190.1519 1.09 46
191.1532 1.92 81
191.6785 0.09 4
192.1307 1.20 51
193.1331 4.31 183
194.1485 1.57 67
195.1277 4.59 194
196.1197 1.27 54
197.1367 4.16 176
198.1421 1.16 49
199.1358 2.24 95
200.1423 0.81 34
201.1494 1.15 49
202.1570 0.81 34
203.1283 1.94 82
204.1493 0.43 18
205.1586 1.55 66
206.1191 1.10 47
207.1417 3.43 145
208.1402 2.61 111
209.1268 3.84 163
210.1510 0.99 42
211.1386 2.58 109
212.1391 0.73 31
213.1524 1.57 67
214.1044 0.40 17
215.1311 1.33 56
216.1582 0.46 19
216.6782 0.11 5
217.1611 1.06 45
217.6937 0.06 3
218.1768 0.46 19
219.1683 2.15 91
220.1601 0.83 35
221.1649 9.97 422
222.1700 0.98 42
222.6914 0.11 5
223.1632 1.80 76
224.1942 0.70 30
225.1758 1.46 62
226.2449 0.39 17
226.6677 0.07 3
227.1777 0.98 42
228.2601 0.42 18
229.2435 1.13 48
230.2397 0.51 22
231.1865 1.25 53
232.1710 0.76 32
233.1923 2.86 121
234.1881 2.21 94
234.6862 0.08 3
235.1968 1.82 77
236.1810 0.47 20
237.1904 1.52 64
238.2003 0.74 31
239.1981 1.02 43
239.7346 0.04 2
240.3086 0.34 14
241.2322 0.77 33
242.1937 0.36 15
242.6683 0.07 3
243.2055 0.77 33
244.1801 0.40 17
245.1801 1.33 56
246.2180 2.70 114
247.2187 3.26 138
248.2573 0.58 25
249.2337 1.12 47
250.1729 0.50 21
251.2251 1.14 48
252.2276 0.64 27
253.2429 0.96 41
254.2962 0.23 10
255.2496 0.53 22
256.1781 0.35 15
256.7429 0.07 3
257.2952 0.93 39
258.1992 0.37 16
258.6262 0.09 4
259.2287 1.28 54
260.2071 0.64 27
261.2486 0.86 36
261.6502 0.15 6
262.2401 0.36 15
262.6670 0.11 5
263.2069 0.84 36
263.7469 0.10 4
264.2744 0.40 17
265.2921 0.78 33
266.2346 0.30 13
267.2654 0.61 26
268.3469 0.22 9
268.6990 0.03 1
269.2777 0.64 27
270.1710 0.26 11
271.2408 1.64 69
271.7443 0.17 7
272.2731 0.75 32
273.2302 1.26 53
274.2757 1.02 43
275.2711 0.62 26
276.2668 0.39 17
276.7710 0.04 2
277.2375 0.77 33
278.2328 0.32 14
279.2409 0.39 17
280.2492 0.12 5
280.7156 0.02 1
281.2326 0.43 18
282.1658 0.20 8
283.2506 0.71 30
284.2347 0.47 20
285.2697 1.76 75
286.2417 7.96 337
287.2645 2.40 102
288.3255 0.39 17
289.2604 0.57 24
290.3978 0.18 8
290.7769 0.08 3
291.2447 0.48 20
292.2308 0.31 13
292.7872 0.15 6
293.3690 0.33 14
294.2918 0.28 12
295.2519 0.36 15
296.3008 0.23 10
297.2234 1.24 53
298.2601 1.60 68
299.2590 4.11 174
300.2835 0.86 36
301.2197 0.44 19
302.3206 0.14 6
303.3964 0.35 15
304.2826 0.15 6
305.2323 0.27 11
306.2455 0.15 6
307.2843 0.46 19
308.2980 0.19 8
308.6908 0.05 2
309.2485 0.60 25
310.2372 0.54 23
311.2262 1.99 84
312.2661 3.02 128
313.2428 0.92 39
314.2578 0.29 12
315.2476 0.19 8
316.3518 0.09 4
317.4182 0.33 14
317.8118 0.06 3
318.3705 0.12 5
319.2087 0.36 15
320.2376 0.20 8
321.2414 0.31 13
321.8132 0.03 1
322.2707 0.22 9
323.3129 0.49 21
324.2537 0.61 26
325.2455 2.56 108
326.2247 0.49 21
327.2550 0.38 16
328.2855 0.12 5
329.4817 0.15 6
330.2835 0.10 4
331.3910 0.18 8
332.2568 0.11 5
333.3010 0.19 8
333.7340 0.09 4
334.4218 0.22 9
335.3263 0.39 17
336.2564 0.32 14
337.4288 0.62 26
338.2699 0.34 14
339.2880 0.37 16
340.3699 0.59 25
340.8663 0.03 1
341.4647 0.15 6
342.4706 0.11 5
342.8781 0.03 1
343.1964 0.13 6
343.7950 0.03 1
344.4574 0.11 5
345.3364 0.17 7
346.3429 0.20 8
346.6742 0.07 3
347.3369 0.23 10
348.2928 0.12 5
349.3508 0.41 17
350.3198 0.44 19
351.3526 0.78 33
352.2964 7.76 329
353.3168 1.24 53
354.3120 0.15 6
355.4476 0.14 6
356.3026 0.09 4
356.7748 0.05 2
357.3492 0.15 6
357.6811 0.02 1
358.3322 0.04 2
359.3791 0.19 8
360.3879 0.22 9
361.3203 0.26 11
362.3421 0.29 12
363.3003 0.80 34
364.3480 0.75 32
365.3192 2.48 105
366.3538 0.73 31
367.4259 0.30 13
368.3578 0.08 3
369.3919 0.14 6
370.4390 0.09 4
371.2691 0.13 6
372.2398 0.12 5
372.4953 0.09 4
372.7508 0.04 2
373.3512 0.21 9
374.3605 0.13 6
375.5106 0.25 11
376.2902 0.38 16
377.3638 0.89 38
378.2970 0.54 23
378.7444 0.12 5
379.3709 1.75 74
380.3683 0.52 22
381.3517 0.09 4
381.8243 0.05 2
382.1692 0.05 2
382.3991 0.02 1
382.8845 0.02 1
383.3444 0.07 3
383.5999 0.07 3
383.9065 0.04 2
384.3409 0.09 4
385.3057 0.14 6
385.6699 0.06 3
386.2513 0.05 2
386.8073 0.05 2
387.2547 0.29 12
388.3156 0.16 7
389.3256 0.54 23
390.3485 0.67 28
391.3587 0.83 35
392.3307 1.46 62
393.3924 0.19 8
394.0064 0.04 2
394.3646 0.08 3
394.6844 0.03 1
395.5929 0.07 3
396.3734 0.04 2
396.8597 0.03 1
397.4484 0.13 6
398.4723 0.06 3
399.3811 0.16 7
400.3029 0.57 24
401.5704 0.19 8
402.4539 0.22 9
403.3376 0.43 18
404.3494 0.25 11
405.4510 0.42 18
406.5143 0.11 5
407.2959 0.07 3
407.6675 0.07 3
408.4107 0.08 3
409.5256 0.08 3
409.8717 0.03 1
410.2946 0.06 3
411.3842 0.15 6
412.0123 0.03 1
412.3713 0.10 4
413.3451 0.31 13
414.5354 0.19 8
415.4698 0.21 9
416.3275 0.20 8
417.3517 0.60 25
418.3377 1.40 59
419.3877 3.04 129
420.3995 2.39 101
421.2833 0.14 6
421.9237 0.06 3
422.5002 0.07 3
422.8333 0.02 1
423.1407 0.03 1
423.6789 0.09 4
424.4476 0.05 2
424.8448 0.05 2
425.4727 0.14 6
426.4082 0.32 14
427.3310 0.24 10
428.4205 0.27 11
428.8051 0.04 2
429.3307 0.23 10
430.3432 0.26 11
431.3805 0.58 25
432.3410 1.09 46
433.3785 1.34 57
434.4289 0.11 5
434.9156 0.02 1
435.5947 0.10 4
436.0559 0.02 1
436.4531 0.06 3
437.3116 0.10 4
437.6703 0.06 3
438.5802 0.10 4
439.3235 0.21 9
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440.4771 0.68 29
441.3359 0.18 8
442.4127 0.78 33
443.3614 0.18 8
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444.7975 0.08 3
445.4002 0.94 40
446.4774 0.23 10
447.4137 0.27 11
448.4270 1.26 53
449.4660 0.17 7
450.5180 0.06 3
451.3006 0.05 2
451.6855 0.04 2
452.4169 0.11 5
453.3922 0.28 12
454.3419 2.66 113
455.3301 0.21 9
455.6895 0.11 5
456.4468 0.36 15
457.5251 0.38 16
458.3467 0.21 9
458.8346 0.03 1
459.4766 0.39 17
460.5166 0.09 4
461.2614 0.08 3
461.6467 0.04 2
462.6484 0.05 2
463.5860 0.07 3
464.2410 0.05 2
464.9218 0.04 2
465.3072 0.07 3
465.9365 0.02 1
466.3468 0.08 3
467.3344 0.17 7
467.8731 0.06 3
468.2835 0.12 5
468.6042 0.04 2
469.2841 0.06 3
469.9127 0.03 1
470.7594 0.06 3
470.9518 0.03 1
471.4393 0.14 6
472.5428 0.26 11
473.4025 0.64 27
474.4548 1.12 47
475.3275 0.17 7
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478.8830 0.02 1
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481.3609 0.64 27
481.7332 0.17 7
482.5165 0.10 4
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491.5212 0.14 6
492.3565 0.25 11
493.4359 0.36 15
494.4376 1.00 42
495.2072 0.11 5
495.7332 0.05 2
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497.5038 0.13 6
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498.9922 0.08 3
499.4029 0.22 9
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501.6359 0.67 28
503.4970 0.67 28
505.5894 0.65 28
506.4111 1.58 67
507.4254 1.54 65
508.4397 2.08 88
509.5440 0.09 4
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510.4943 0.08 3
511.4575 0.13 6
511.8557 0.04 2
512.7419 0.08 3
513.4483 0.11 5
514.4117 0.10 4
515.4650 0.15 6
516.3771 0.51 22
517.4564 0.08 3
517.8932 0.09 4
518.4457 0.24 10
519.4993 0.48 20
520.4631 23.58 999
521.4515 0.57 24
521.8619 0.15 6
522.2723 0.09 4
522.7981 0.09 4
523.5933 0.06 3
524.1577 0.02 1
524.5681 0.06 3
524.9016 0.01 0
525.5430 0.15 6
526.4922 0.36 15
527.4287 0.31 13
528.3909 0.39 17
529.5071 0.19 8
530.3283 0.08 3
530.7261 0.04 2
531.5089 0.06 3
532.3173 0.06 3
532.7600 0.06 3
532.9718 0.03 1
533.4338 0.07 3
533.7675 0.02 1
534.5118 0.03 1
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535.6541 0.04 2
536.5526 0.03 1
537.1945 0.06 3
537.9518 0.02 1
538.5424 0.04 2
539.6592 0.18 8
540.3911 0.15 6
540.6221 0.08 3
541.3925 0.48 20
542.6379 0.64 27
543.4470 0.65 28
544.4229 0.27 11
545.4117 0.09 4
545.6815 0.10 4
546.5034 0.14 6
547.1969 0.02 1
547.8006 0.03 1
548.4428 0.05 2
548.8153 0.05 2
549.6503 0.08 3
550.0228 0.04 2
550.6779 0.02 1
551.3716 0.05 2
551.7827 0.05 2
552.2709 0.07 3
552.5536 0.02 1
553.3373 0.09 4
553.7613 0.08 3
554.6093 0.11 5
555.5344 0.57 24
556.5110 0.87 37
557.5134 4.09 173
558.5158 0.26 11
560.0067 0.12 5
560.9706 0.10 4
562.1789 0.04 2
563.3486 0.10 4
564.6856 0.18 8
565.7909 0.08 3
566.6124 0.12 5
566.9589 0.07 3
567.6649 0.40 17
568.5763 0.11 5
569.6418 0.23 10
570.5019 0.26 11
571.5932 0.25 11
572.9413 0.23 10
582.7404 21.50 911
583.6267 1.73 73
584.4746 1.22 52
585.6437 16.01 678
587.6094 0.25 11
589.3441 0.37 16
600.5490 99.97 999
604.0196 3.93 167
605.0590 1.95 83
//
