MassBank Record: CA000047



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

ACCESSION: 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.  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] 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
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 9 439.7080 0.11 5 440.4771 0.68 29 441.3359 0.18 8 442.4127 0.78 33 443.3614 0.18 8 443.7845 0.11 5 444.3487 0.19 8 444.7975 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 7 475.6098 0.12 5 476.0205 0.06 3 476.3927 0.12 5 477.2527 0.06 3 477.9073 0.02 1 478.3310 0.05 2 478.8830 0.02 1 479.2938 0.11 5 480.4364 0.20 8 481.3609 0.64 27 481.7332 0.17 7 482.5165 0.10 4 482.9788 0.05 2 483.7750 0.09 4 484.6483 0.07 3 485.4446 0.23 10 486.9346 0.11 5 487.6668 0.17 7 488.7074 0.16 7 489.5296 0.23 10 490.2877 0.17 7 491.5212 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 2 496.3619 0.05 2 496.9905 0.09 4 497.5038 0.13 6 498.5816 0.14 6 498.9922 0.08 3 499.4029 0.22 9 499.9675 0.08 3 501.6359 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 4 509.9678 0.08 3 510.4943 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 1 535.0509 0.02 1 535.3975 0.05 2 535.6541 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 //