MassBank Record: CA000048



 Cucurbitachrome B; FAB-EBEB; MS2; m/z: 600.42; [M]+* 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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).
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
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 2 462.5280 0.11 4 463.4656 0.14 5 464.4594 0.09 3 465.4501 0.12 5 465.7359 0.04 2 466.4414 0.10 4 467.4434 0.16 6 467.7272 0.06 2 468.0639 0.03 1 468.5273 0.08 3 468.9457 0.07 3 469.3338 0.07 3 469.7603 0.04 2 470.5926 0.15 6 471.4810 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 2 533.7450 0.02 1 534.1653 0.03 1 534.8953 0.04 2 535.5049 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 //