MassBank Record: MSBNK-Kyoto_Univ-CA000048
ACCESSION: MSBNK-Kyoto_Univ-CA000048
RECORD_TITLE: Cucurbitachrome B; 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: 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] CA000048.jpg
CH$NAME: Cucurbitachrome B
CH$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$LINK: CAS
181229-74-3
CH$LINK: NIKKAJI
J755.059F
CH$LINK: INCHIKEY
YMNKXGQZDVGTFM-LRJXZMMBSA-N
AC$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 520.5177
MS$FOCUSED_ION: PRECURSOR_M/Z 600.42
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+*
MS$DATA_PROCESSING: RELATIVE_M/Z normalised by peak(m/z=520.5177). set 999 for peak(m/z=600.4736,rel=3773).
PK$SPLASH: splash10-0udi-2931022000-c4d5e37ad03ee62ec4b0
PK$NUM_PEAK: 641
PK$PEAK: m/z int. rel.int.
12.9350 0.01 0
14.0497 0.04 2
15.0563 0.14 5
19.0257 0.01 0
23.0250 0.02 1
25.0152 0.01 0
25.1385 0.01 0
26.0432 0.12 5
27.0602 0.76 29
28.0658 0.11 4
29.0674 0.73 28
29.9717 0.01 0
31.0491 0.09 3
36.2336 0.01 0
37.0576 0.03 1
38.0471 0.13 5
38.5397 0.01 0
39.0689 1.41 53
40.0693 0.15 6
40.3022 0.01 0
41.0808 2.80 106
42.0802 0.18 7
43.0574 12.31 465
44.0697 0.10 4
45.0725 0.07 3
47.0662 0.03 1
49.0284 0.03 1
49.6038 0.01 0
50.0635 0.20 8
51.0547 0.58 22
52.0658 0.17 6
53.0756 1.10 42
54.0792 0.10 4
54.3883 0.01 0
55.0726 4.06 153
56.0713 0.16 6
57.0932 1.61 61
58.0777 0.17 6
59.0767 0.48 18
60.0154 0.01 0
61.0396 0.06 2
62.0744 0.11 4
62.6634 0.01 0
63.0660 0.48 18
64.0606 0.14 5
65.0744 0.97 37
66.0949 0.30 11
67.0842 2.23 84
68.0798 0.30 11
69.0766 4.05 153
69.5867 0.01 0
70.0631 0.50 19
71.0698 1.79 68
72.0956 0.05 2
73.1108 0.08 3
74.0531 0.11 4
75.0594 0.24 9
75.3002 0.04 2
75.5345 0.02 1
76.0691 0.13 5
76.4699 0.02 1
77.0820 3.97 150
77.6729 0.05 2
78.0916 0.90 34
79.0924 4.24 160
79.6817 0.03 1
80.0949 0.82 31
81.0951 4.98 188
81.7290 0.01 0
82.0769 0.61 23
82.4823 0.03 1
83.1027 6.90 260
83.6667 0.01 0
84.0994 0.19 7
85.0867 2.47 93
86.0968 0.11 4
87.0812 0.78 29
88.1114 0.08 3
88.5058 0.01 0
89.1157 0.56 21
90.1213 0.21 8
91.1156 10.40 393
92.1151 1.50 57
93.1182 8.59 324
93.6624 0.02 1
94.1250 0.65 25
95.1174 8.50 321
96.1042 0.77 29
97.1083 2.69 102
98.0897 0.64 24
98.5632 0.01 0
99.0980 0.29 11
100.0585 0.01 0
100.5963 0.01 0
101.1084 0.19 7
101.5570 0.04 2
102.1145 0.55 21
103.1254 2.07 78
104.1229 0.95 36
105.1265 13.72 518
106.1278 1.89 71
107.1337 7.30 276
108.1256 1.17 44
109.1357 6.19 234
110.1308 0.41 15
110.5831 0.04 2
111.1176 2.07 78
112.0948 0.12 5
113.1401 2.10 79
114.2439 0.18 7
115.1253 5.55 209
116.1131 2.02 76
117.1267 5.61 212
118.1090 1.29 49
118.6243 0.10 4
119.1228 13.03 492
120.1238 1.98 75
121.1206 7.40 279
122.1102 1.39 52
122.4806 0.05 2
123.1127 4.51 170
124.0993 0.55 21
125.0931 6.45 243
125.6121 0.04 2
126.1141 0.62 23
127.1222 2.01 76
128.1113 6.00 226
129.1147 7.66 289
130.1093 3.22 122
131.1182 8.11 306
132.1080 2.54 96
132.6201 0.17 6
133.1180 8.34 315
134.1248 1.03 39
135.1109 4.88 184
136.1172 2.64 100
137.1073 2.55 96
138.0935 0.28 11
139.1262 3.67 139
140.0882 0.39 15
141.1100 5.30 200
142.1183 4.71 178
143.1203 10.00 377
144.1233 3.86 146
145.1304 12.95 489
146.1296 1.66 63
146.5097 0.17 6
147.1254 5.99 226
148.1207 0.79 30
149.1363 2.96 112
150.1232 0.72 27
151.1171 5.63 212
152.1401 2.57 97
153.1447 3.30 125
154.1548 1.60 60
155.1509 7.13 269
156.1599 3.52 133
157.1608 10.02 378
158.1611 2.32 88
159.1592 8.12 306
160.1508 5.21 197
161.1657 3.45 130
161.6517 0.09 3
162.1814 1.15 43
163.1785 3.12 118
164.1734 0.74 28
165.1752 7.68 290
166.1747 1.65 62
167.1781 3.84 145
168.1973 1.84 69
169.1947 6.25 236
170.2020 2.68 101
171.2007 6.18 233
172.1893 1.85 70
173.1982 4.27 161
173.6615 0.12 5
174.2034 1.11 42
174.5869 0.07 3
175.2047 2.57 97
176.2037 0.63 24
177.1778 1.32 50
178.1979 2.79 105
179.1899 5.08 192
180.1781 4.76 180
181.1791 14.73 556
182.1884 2.14 81
183.1922 6.08 229
184.1967 1.64 62
185.1852 4.19 158
186.1757 1.37 52
187.1959 2.28 86
188.1877 0.68 26
189.1939 2.84 107
190.1809 1.22 46
191.1837 2.61 99
192.1780 1.84 69
193.1759 5.98 226
194.1867 1.90 72
195.1797 6.05 228
196.1778 1.94 73
197.1858 5.34 202
198.1866 1.43 54
199.1849 2.73 103
200.1899 0.86 32
201.1678 1.55 58
202.1955 1.23 46
203.1883 2.50 94
204.2063 0.73 28
205.1786 1.95 74
206.1853 1.41 53
207.1879 4.38 165
208.1818 3.35 126
209.1931 4.48 169
210.1973 1.24 47
211.1957 2.98 112
212.2009 0.96 36
213.2081 1.88 71
214.1956 0.70 26
215.1868 2.01 76
216.2155 0.95 36
217.1998 1.43 54
218.2109 0.67 25
219.2132 2.52 95
220.2066 1.15 43
221.2176 11.79 445
222.2057 1.86 70
223.2284 2.97 112
224.2112 0.89 34
225.2286 1.61 61
226.2449 0.64 24
227.2414 1.39 52
228.2321 0.70 26
229.2310 1.54 58
230.2459 0.76 29
231.2534 1.58 60
232.2520 0.92 35
233.2436 3.26 123
234.2441 2.56 97
235.2591 2.22 84
236.2355 1.00 38
236.6576 0.11 4
237.2543 1.96 74
238.2798 0.95 36
239.2449 1.12 42
240.2664 0.45 17
241.2713 1.00 38
242.2390 0.49 18
243.2664 1.02 38
244.2551 0.62 23
245.2567 1.55 58
246.2649 3.37 127
247.2641 3.91 148
248.2698 0.65 25
249.2697 1.54 58
250.2653 0.59 22
251.2627 1.20 45
252.2667 0.98 37
253.2790 1.19 45
253.6833 0.10 4
254.2790 0.28 11
255.2888 0.70 26
256.2989 0.44 17
256.6974 0.12 5
257.2936 1.16 44
258.2620 0.57 22
259.2977 1.72 65
260.3075 0.53 20
261.2846 1.17 44
262.2935 0.38 14
263.2744 1.09 41
264.2823 0.49 18
265.2795 1.12 42
266.3085 0.49 18
267.2812 0.74 28
268.2620 0.29 11
268.6424 0.07 3
269.3359 0.88 33
270.2968 0.31 12
270.6004 0.13 5
271.2927 1.97 74
272.2810 1.11 42
273.2900 1.58 60
274.3103 1.41 53
275.3042 0.93 35
276.2983 0.43 16
277.2927 0.93 35
278.3053 0.43 16
279.2944 0.55 21
280.3044 0.22 8
281.3051 0.69 26
282.2966 0.29 11
282.8154 0.05 2
283.3184 0.80 30
284.2868 0.67 25
285.3012 2.20 83
286.2938 9.46 357
287.3103 2.75 104
288.3018 0.38 14
289.3094 0.66 25
290.3219 0.24 9
291.3332 0.55 21
292.3162 0.45 17
292.7398 0.11 4
293.2963 0.63 24
294.2934 0.60 23
295.3214 0.63 24
296.3244 0.35 13
297.2977 1.39 52
298.3011 1.61 61
299.3238 4.67 176
300.3025 1.16 44
301.2988 0.57 22
302.2636 0.18 7
302.7873 0.02 1
303.3300 0.37 14
304.2905 0.13 5
305.3210 0.36 14
306.2756 0.15 6
306.6635 0.03 1
307.3397 0.43 16
308.3423 0.17 6
309.3134 0.69 26
310.3054 0.54 20
311.2912 2.38 90
312.2946 2.97 112
313.3046 1.35 51
314.2578 0.36 14
315.2983 0.29 11
316.2947 0.14 5
317.3737 0.32 12
318.3690 0.14 5
318.7071 0.04 2
319.3104 0.51 19
320.3583 0.28 11
320.7617 0.03 1
321.3271 0.44 17
322.3199 0.21 8
323.3304 0.66 25
324.3331 0.60 23
325.3106 3.03 114
326.3153 0.55 21
327.3313 0.27 10
328.1996 0.13 5
328.6959 0.03 1
329.3210 0.27 10
330.3010 0.16 6
330.8006 0.05 2
331.3974 0.23 9
332.3220 0.09 3
332.6945 0.03 1
333.3408 0.34 13
334.3518 0.20 8
335.3550 0.61 23
336.3520 0.42 16
337.4049 1.22 46
338.3463 0.39 15
339.3373 0.41 15
340.3460 0.59 22
341.3358 0.18 7
342.3751 0.07 3
343.3859 0.14 5
344.3013 0.13 5
345.3730 0.33 12
346.3875 0.26 10
347.3528 0.35 13
348.3438 0.23 9
349.3938 0.53 20
350.3660 0.47 18
351.3702 1.20 45
352.3602 9.83 371
353.3551 1.29 49
354.4076 0.19 7
355.4444 0.20 8
356.5036 0.08 3
357.4131 0.21 8
357.8885 0.03 1
358.4056 0.06 2
359.3791 0.23 9
360.3911 0.35 13
361.4145 0.37 14
362.3996 0.42 16
363.3993 0.76 29
364.3736 0.79 30
365.3991 2.62 99
366.3761 1.13 43
367.3764 0.27 10
368.3721 0.15 6
368.9131 0.03 1
369.4574 0.07 3
370.4007 0.10 4
370.8062 0.02 1
371.4463 0.19 7
371.8439 0.03 1
372.4346 0.21 8
373.3943 0.24 9
374.4117 0.26 10
375.4179 0.35 13
376.3860 0.44 17
377.4101 1.20 45
378.4184 0.53 20
379.4173 1.88 71
380.4034 0.39 15
380.9813 0.05 2
381.4571 0.12 5
382.3033 0.05 2
383.4163 0.17 6
384.5198 0.05 2
385.4223 0.17 6
385.8712 0.04 2
386.3824 0.08 3
387.3761 0.46 17
388.3875 0.27 10
389.3927 0.59 22
390.3501 0.34 13
391.4019 0.89 34
392.3867 1.44 54
393.3748 0.20 8
394.3918 0.09 3
395.4297 0.12 5
396.0375 0.01 0
396.5829 0.09 3
397.3956 0.14 5
397.7203 0.08 3
398.4739 0.12 5
399.4195 0.18 7
400.3636 0.67 25
401.4840 0.42 16
402.3883 0.23 9
403.4496 0.43 16
404.4182 0.32 12
405.5359 0.70 26
406.4247 0.07 3
406.9756 0.02 1
407.5329 0.13 5
408.2793 0.05 2
408.6446 0.04 2
409.5432 0.11 4
410.4565 0.09 3
411.5348 0.23 9
412.4113 0.10 4
413.4634 0.49 18
414.4426 0.19 7
415.4890 0.24 9
416.4411 0.20 8
417.4654 0.97 37
418.4321 1.31 49
419.4341 3.12 118
420.4523 2.96 112
421.4754 0.17 6
421.8405 0.09 3
422.3657 0.07 3
423.4867 0.09 3
424.3900 0.08 3
425.4439 0.17 6
426.4387 0.47 18
427.4752 0.29 11
428.4766 0.19 7
429.4941 0.28 11
430.3976 0.26 10
431.4909 0.68 26
432.4323 1.41 53
433.4313 1.27 48
434.4208 0.11 4
435.3881 0.12 5
435.9021 0.02 1
436.5652 0.07 3
437.4285 0.19 7
437.7600 0.06 2
438.4328 0.11 4
439.5126 0.18 7
440.4642 0.75 28
441.4753 0.22 8
442.4271 0.78 29
443.4528 0.25 9
444.3776 0.26 10
444.6693 0.09 3
445.4355 0.88 33
446.3476 0.19 7
447.4121 0.31 12
448.4206 1.22 46
449.4997 0.14 5
450.2614 0.06 2
450.8981 0.04 2
451.6551 0.13 5
452.3367 0.10 4
452.7137 0.05 2
453.4178 0.32 12
454.4285 2.62 99
455.4585 0.24 9
456.4243 0.30 11
457.4545 0.67 25
458.0129 0.04 2
458.5121 0.20 8
459.5135 0.50 19
460.3898 0.12 5
461.3930 0.14 5
461.9645 0.05 2
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467.7272 0.06 2
468.0639 0.03 1
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469.3338 0.07 3
469.7603 0.04 2
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471.4810 0.11 4
472.4578 0.23 9
473.4522 0.47 18
474.4403 1.29 49
475.4991 0.19 7
476.3478 0.10 4
476.7216 0.05 2
477.4709 0.14 5
478.4658 0.40 15
478.9744 0.05 2
479.3564 0.16 6
479.7592 0.06 2
480.4669 0.35 13
481.4716 0.56 21
482.6851 0.06 2
483.4363 0.06 2
484.5295 0.16 6
485.5715 0.26 10
485.9584 0.16 6
487.4661 0.24 9
488.6014 0.16 6
489.5939 0.28 11
490.4290 0.20 8
491.5100 0.24 9
491.8730 0.08 3
492.4962 0.24 9
492.9059 0.09 3
493.5082 0.52 20
494.4953 0.99 37
494.9587 0.11 4
495.5312 0.14 5
496.3202 0.10 4
497.6016 0.10 4
498.5479 0.19 7
499.4558 0.37 14
499.7878 0.13 5
501.5380 0.81 31
505.5541 0.73 28
506.4881 1.26 48
507.5120 1.95 74
508.4911 2.13 80
509.4381 0.16 6
510.0272 0.08 3
511.1573 0.13 5
511.7898 0.09 3
512.3694 0.12 5
512.8302 0.05 2
513.4997 0.15 6
514.0889 0.05 2
514.5273 0.14 5
514.9560 0.02 1
515.5421 0.22 8
516.4799 0.67 25
517.5029 0.18 7
518.6561 0.23 9
519.5668 0.50 19
520.5177 26.47 999
521.5076 0.58 22
522.1745 0.12 5
522.6458 0.07 3
523.4778 0.09 3
524.2266 0.09 3
525.5734 0.16 6
526.4987 0.33 12
527.5361 0.33 12
528.5128 0.29 11
529.5970 0.11 4
530.5304 0.07 3
530.8079 0.03 1
531.6869 0.06 2
532.3125 0.07 3
532.6525 0.05 2
533.3472 0.05 2
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535.5049 0.02 1
535.8499 0.01 0
536.4564 0.01 0
536.8158 0.02 1
538.0673 0.05 2
539.5629 0.25 9
540.4087 0.16 6
540.8307 0.13 5
541.5064 0.52 20
542.5128 0.96 36
543.5095 0.68 26
544.5079 0.21 8
545.5305 0.15 6
546.4440 0.14 5
546.9111 0.02 1
547.4891 0.05 2
548.1763 0.04 2
548.9695 0.03 1
549.6503 0.07 3
550.8401 0.04 2
551.3058 0.06 2
551.9353 0.03 1
552.7832 0.04 2
553.6874 0.06 2
554.4921 0.10 4
555.5634 0.44 17
556.5528 0.61 23
557.5118 4.22 159
558.4435 0.28 11
558.8676 0.14 5
560.3569 0.06 2
561.0076 0.08 3
561.7178 0.12 5
562.2994 0.09 3
562.8826 0.08 3
563.3583 0.14 5
563.6942 0.14 5
564.6197 0.30 11
565.3091 0.10 4
566.4872 0.13 5
567.6954 0.46 17
568.5587 0.27 10
569.6370 0.34 13
570.5661 0.30 11
571.5980 0.22 8
572.6508 0.26 10
582.6890 24.74 934
583.7183 2.52 95
584.5677 2.05 77
585.6437 18.52 699
586.6073 0.47 18
600.4736 99.97 999
603.8094 4.91 185
604.7943 2.32 88
//
