MassBank Record: CA000066



 Loroxanthin; FAB-EBEB; MS2; m/z: 584.42; [M]+* 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: CA000066
RECORD_TITLE: Loroxanthin; FAB-EBEB; MS2; m/z: 584.42; [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: Takashi Maoka, Yasuhiro Fujiwara, Keiji Hashimoto, and Naoshige Akimoto, Carotenoids in Three Species of Corbicula Clams, Corbicula japonica, Corbicula sandai, and Corbicula sp. (Chinese Freshwater Corbicula Clam), J. Agric. Food Chem., 53, 8357-8364 (2005).
COMMENT: Profile spectrum of this record is given as a JPEG file.
COMMENT: [Profile] CA000066.jpg

CH$NAME: Loroxanthin CH$COMPOUND_CLASS: N/A CH$FORMULA: C40H56O3 CH$EXACT_MASS: 584.42295 CH$SMILES: C(=CC(C)=CC=CC=C(C=CC=C(C)C=CC(C2(C)C)C(C)=CC(O)C2)C)C=C(C=CC(=C(C)1)C(C)(C)CC(O)C1)CO CH$IUPAC: InChI=1S/C40H56O3/c1-29(16-12-17-31(3)20-22-37-32(4)24-35(42)26-39(37,6)7)14-10-11-15-30(2)18-13-19-34(28-41)21-23-38-33(5)25-36(43)27-40(38,8)9/h10-24,35-37,41-43H,25-28H2,1-9H3/b11-10+,16-12+,18-13+,22-20+,23-21+,29-14+,30-15+,31-17+,34-19-/t35-,36+,37-/m0/s1 CH$LINK: CAS 27637-71-4 CH$LINK: LIPIDBANK VCA1074
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$FOCUSED_ION: BASE_PEAK 105.0842 MS$FOCUSED_ION: PRECURSOR_M/Z 584.42 MS$FOCUSED_ION: PRECURSOR_TYPE [M]+* MS$DATA_PROCESSING: RELATIVE_M/Z normalised by peak(m/z=105.0842). set 999 for peak(m/z=584.3922,rel=2119).
PK$SPLASH: splash10-05o3-2920010000-2947fa88de792967945b PK$NUM_PEAK: 651 PK$PEAK: m/z int. rel.int. 10.6664 0.01 0 12.8774 0.01 0 14.0209 0.03 1 15.0251 0.11 2 19.0119 0.01 0 22.9894 0.03 1 23.9943 0.01 0 25.0027 0.03 1 26.0157 0.22 5 27.0248 1.99 42 28.0309 0.15 3 29.0350 2.30 49 30.0293 0.03 1 31.0158 0.60 13 35.9853 0.01 0 37.0206 0.15 3 37.4577 0.01 0 38.0114 0.68 14 38.3884 0.01 0 39.0270 5.32 113 40.0319 0.66 14 41.0425 10.55 224 41.6335 0.04 1 42.0414 0.30 6 42.6434 0.01 0 43.0357 9.15 194 44.0329 0.16 3 45.0361 0.40 8 46.6999 0.01 0 46.9873 0.01 0 47.9947 0.01 0 48.2455 0.02 0 49.0120 0.14 3 49.4353 0.02 0 50.0195 1.44 31 50.6057 0.02 0 51.0248 3.59 76 52.0326 1.06 22 52.6433 0.01 0 53.0414 6.14 130 54.0498 0.34 7 54.5662 0.01 0 55.0529 15.56 330 56.0565 0.35 7 57.0640 5.27 112 57.5630 0.01 0 58.0499 0.06 1 58.5209 0.01 0 59.0538 2.10 45 60.0648 0.02 0 61.0082 0.15 3 62.0251 0.80 17 62.5584 0.01 0 63.0360 2.76 58 64.0351 0.59 13 64.5231 0.04 1 65.0421 5.22 111 66.0543 0.99 21 66.5601 0.01 0 67.0594 8.56 181 68.0532 0.56 12 68.4719 0.01 0 69.0608 11.23 238 69.5736 0.01 0 70.0645 0.25 5 71.0515 4.19 89 72.0418 0.04 1 73.0189 0.08 2 73.2114 0.03 1 73.4913 0.01 0 74.0146 0.65 14 75.0356 1.07 23 76.0326 0.67 14 77.0419 16.32 346 78.0453 3.09 65 79.0543 17.57 372 80.0571 2.90 61 81.0680 20.11 426 82.0516 1.70 36 83.0643 5.31 113 84.0665 0.34 7 85.0661 4.53 96 86.0203 0.34 7 87.0383 0.78 17 88.0456 0.28 6 89.0688 1.75 37 90.0878 0.92 19 91.0660 37.88 803 92.0682 3.97 84 93.0822 26.55 563 94.0862 1.65 35 95.0796 22.24 471 96.0804 0.99 21 97.0805 4.15 88 98.0513 0.20 4 98.4306 0.02 0 99.0556 0.32 7 100.1127 0.06 1 101.0661 0.61 13 102.0612 1.78 38 103.0693 6.90 146 103.5339 0.13 3 104.0765 3.21 68 105.0842 47.14 999 106.0952 4.55 96 107.0941 19.41 411 108.0832 2.38 50 109.0987 11.68 248 110.0698 1.00 21 111.0789 2.43 51 112.1121 0.08 2 113.0544 0.65 14 114.0937 0.76 16 115.0531 18.98 402 116.0604 7.26 154 117.0650 21.18 449 118.0697 4.13 88 119.0760 38.28 811 120.0823 4.70 100 121.0829 22.53 477 122.0651 1.88 40 122.3738 0.11 2 123.0742 19.65 416 124.0662 0.56 12 125.0695 1.57 33 126.0056 1.09 23 127.0458 7.24 153 128.0445 23.03 488 129.0488 27.39 580 130.0586 11.07 235 131.0625 32.01 678 132.0676 6.08 129 133.0711 21.62 458 134.0599 2.40 51 135.0657 11.99 254 136.0293 0.91 19 137.0657 4.25 90 138.0728 3.03 64 139.0461 3.60 76 140.0452 1.18 25 141.0410 18.55 393 142.0540 17.39 369 143.0621 32.65 692 144.0670 9.91 210 145.0728 36.00 763 146.0739 4.01 85 147.0773 14.60 309 148.0730 1.58 33 149.0814 4.60 97 150.0732 0.92 19 151.0747 3.08 65 152.0609 7.41 157 153.0628 11.24 238 154.0700 5.53 117 155.0767 21.41 454 156.0872 11.92 253 157.0942 26.61 564 158.0991 5.89 125 159.1063 16.79 356 160.1026 2.42 51 161.1086 7.60 161 162.1020 0.59 13 163.0977 2.71 57 164.0839 1.16 25 165.0752 16.37 347 166.0942 5.95 126 167.1020 15.08 320 168.1136 6.18 131 169.1197 19.42 412 170.1265 6.23 132 171.1267 14.07 298 172.1216 3.04 64 173.1307 8.75 185 174.1106 1.10 23 175.1316 3.86 82 176.1025 1.52 32 177.1114 1.96 42 178.0806 8.42 178 179.0893 13.85 294 180.0988 6.69 142 181.0984 16.40 348 182.1048 6.30 134 183.1072 16.02 339 184.1088 3.53 75 185.1140 7.56 160 186.1108 1.63 35 187.1128 4.66 99 188.1018 0.74 16 189.0975 5.01 106 190.0801 1.97 42 191.0875 7.90 167 192.0894 5.94 126 193.0859 12.83 272 194.0860 5.71 121 195.1018 16.43 348 196.0984 3.88 82 197.1124 12.10 256 198.1071 2.12 45 199.1130 5.30 112 200.0982 1.46 31 201.1067 2.90 61 202.0702 4.17 88 203.0797 5.50 117 204.0807 2.41 51 205.0806 5.91 125 206.0963 4.59 97 207.1019 10.31 218 208.1079 3.91 83 209.1129 10.11 214 210.1215 2.40 51 211.1199 6.20 131 212.1279 1.18 25 213.1226 2.94 62 214.1408 0.75 16 215.1013 4.52 96 216.1111 2.19 46 217.1138 4.73 100 218.1155 2.56 54 219.1252 6.32 134 220.1323 2.65 56 221.1353 6.99 148 222.1479 2.48 53 223.1548 6.21 132 224.1452 1.38 29 225.1591 3.38 72 226.1258 1.53 32 227.1421 1.98 42 228.1388 1.72 36 229.1313 3.85 82 230.1472 1.81 38 231.1440 4.41 93 232.1416 2.16 46 233.1581 6.41 136 234.1626 1.77 38 235.1553 5.00 106 236.1560 1.12 24 237.1771 3.72 79 238.1724 0.90 19 239.1496 2.45 52 240.1487 0.77 16 241.1420 2.36 50 242.1526 1.45 31 243.1374 2.58 55 244.1333 1.57 33 245.1527 3.62 77 246.1756 1.83 39 247.1695 4.10 87 248.1900 1.18 25 249.1845 3.17 67 250.1949 0.94 20 251.1638 2.18 46 252.1454 1.07 23 253.1661 2.31 49 254.1623 1.01 21 255.1696 2.24 47 256.1463 0.86 18 257.1664 2.43 51 258.1571 1.07 23 259.1761 2.45 52 260.1891 1.03 22 261.1870 2.70 57 262.1835 0.78 17 263.1913 2.07 44 264.2025 0.73 15 265.1875 2.01 43 266.1775 0.73 15 267.1849 1.96 42 268.1926 0.64 14 269.1927 2.47 52 270.1792 0.86 18 271.1893 1.80 38 272.1639 0.83 18 273.2119 2.07 44 274.2229 0.77 16 275.2271 1.80 38 276.2210 0.60 13 277.2106 1.37 29 278.1880 0.46 10 279.2311 1.32 28 280.2215 0.60 13 281.2261 1.65 35 282.2170 0.85 18 283.2238 1.52 32 284.2027 0.63 13 284.7032 0.12 3 285.2271 1.41 30 286.1987 0.58 12 287.2314 1.24 26 288.2113 0.40 8 288.6061 0.09 2 289.2227 1.20 25 290.2187 0.32 7 291.2179 0.88 19 292.2362 0.33 7 293.2158 0.73 15 294.1987 0.34 7 295.1990 0.95 20 296.1527 0.43 9 297.1956 1.09 23 298.2622 0.48 10 298.6574 0.10 2 299.2041 0.97 21 300.2243 0.39 8 300.6337 0.08 2 301.2197 0.86 18 301.6011 0.13 3 302.1779 0.44 9 303.2191 0.84 18 304.2308 0.19 4 305.2208 0.70 15 306.2126 0.37 8 307.1859 0.87 18 308.1531 0.35 7 308.5742 0.05 1 309.1815 0.58 12 309.7436 0.04 1 310.2400 0.45 10 310.6064 0.09 2 311.2015 0.75 16 312.1867 0.34 7 313.1941 0.68 14 314.1547 0.25 5 314.5841 0.03 1 315.2173 0.78 17 316.1845 0.33 7 317.2052 0.56 12 318.2685 0.41 9 319.2049 0.68 14 319.6238 0.08 2 320.2090 0.36 8 320.6844 0.09 2 321.2462 0.71 15 322.2114 0.23 5 323.2176 0.52 11 324.1957 0.29 6 325.2290 0.71 15 326.2421 0.21 4 326.6898 0.07 1 327.2113 0.55 12 328.1965 0.24 5 328.6255 0.09 2 329.2353 0.56 12 330.2318 0.16 3 330.5163 0.08 2 331.2222 0.56 12 332.2411 0.28 6 333.2554 0.85 18 334.2274 0.39 8 335.2901 0.89 19 336.2605 0.28 6 337.2232 0.63 13 338.2945 0.33 7 339.2418 0.38 8 340.2333 0.11 2 341.2140 0.39 8 342.2105 0.18 4 343.2355 0.28 6 344.2371 0.13 3 344.6821 0.06 1 345.2467 0.51 11 346.2202 0.29 6 347.2884 0.82 17 348.2607 0.35 7 348.6462 0.08 2 349.2332 0.56 12 350.2468 0.22 5 351.2353 0.33 7 352.1846 0.20 4 352.6837 0.04 1 353.2790 0.43 9 353.7798 0.02 0 354.2711 0.24 5 355.2193 0.29 6 356.2354 0.20 4 356.6135 0.06 1 357.2122 0.35 7 357.7937 0.03 1 358.2838 0.23 5 359.3050 0.51 11 360.2997 0.21 4 361.2440 0.34 7 362.2247 0.35 7 363.2837 0.67 14 363.7833 0.06 1 364.3507 0.25 5 365.2492 0.27 6 365.7017 0.04 1 366.2456 0.14 3 367.2800 0.30 6 368.2199 0.11 2 369.2482 0.23 5 369.7545 0.04 1 370.2751 0.08 2 370.6932 0.08 2 371.2706 0.27 6 372.3673 0.16 3 372.6703 0.11 2 373.2968 0.38 8 374.2896 0.17 4 374.5200 0.05 1 374.7694 0.01 0 375.2903 0.15 3 376.2975 0.16 3 376.8450 0.07 1 377.3211 0.29 6 378.2940 0.28 6 379.2134 0.19 4 379.4894 0.08 2 380.1913 0.08 2 380.5635 0.05 1 381.3144 0.21 4 381.8587 0.03 1 382.2925 0.09 2 383.3434 0.26 6 384.3296 0.09 2 385.3176 0.28 6 386.2962 0.26 6 387.0966 0.28 6 388.1922 0.20 4 388.6091 0.07 1 389.2422 0.14 3 390.2703 0.15 3 390.7299 0.02 0 391.2685 0.26 6 391.8181 0.07 1 392.2826 0.14 3 392.7644 0.03 1 393.2810 0.15 3 393.5353 0.06 1 394.3285 0.07 1 395.3240 0.28 6 396.3417 0.07 1 397.3185 0.33 7 398.3349 0.11 2 399.3640 0.27 6 399.6976 0.07 1 400.3506 0.16 3 400.6985 0.03 1 401.3389 0.23 5 402.2704 0.11 2 402.8461 0.08 2 403.3253 0.15 3 403.6828 0.03 1 404.4167 0.10 2 405.2615 0.11 2 405.4941 0.04 1 406.3690 0.06 1 407.2630 0.11 2 408.3344 0.07 1 409.4043 0.15 3 410.4070 0.21 4 411.3593 0.19 4 412.3385 0.14 3 413.3383 0.77 16 413.8106 0.03 1 414.3209 0.20 4 414.6969 0.05 1 415.2767 0.27 6 415.7238 0.04 1 416.3085 0.16 3 417.3056 0.18 4 418.3202 0.21 4 418.7864 0.08 2 419.3396 0.36 8 419.8391 0.06 1 420.3149 0.12 3 420.6310 0.04 1 420.9314 0.03 1 421.3851 0.07 1 421.9416 0.01 0 422.3495 0.06 1 423.1765 0.06 1 423.9229 0.05 1 424.3055 0.03 1 425.2639 0.09 2 426.2723 0.11 2 427.3625 0.44 9 428.3549 0.97 21 429.3489 0.63 13 430.3003 0.19 4 431.3182 0.57 12 432.2698 0.19 4 432.8105 0.07 1 433.6579 0.08 2 434.3662 0.13 3 434.7078 0.03 1 435.2549 0.08 2 436.2290 0.11 2 436.8252 0.09 2 437.2934 0.14 3 437.7599 0.10 2 438.7375 0.07 1 439.2436 0.18 4 440.1089 0.11 2 440.6737 0.06 1 441.3873 0.16 3 442.5028 0.11 2 444.2356 1.45 31 445.3498 0.55 12 446.3390 3.17 67 447.3078 0.20 4 447.9584 0.07 1 448.3289 0.07 1 448.7737 0.10 2 449.2772 0.18 4 449.6968 0.07 1 450.3301 0.06 1 451.2644 0.28 6 452.2067 0.14 3 452.8148 0.08 2 453.3992 0.13 3 453.8348 0.07 1 454.3734 0.13 3 457.0110 0.50 11 458.3371 0.27 6 459.2990 0.30 6 459.9217 0.05 1 460.4399 0.11 2 460.7426 0.06 1 461.4201 0.24 5 462.3870 0.24 5 463.2258 0.15 3 463.8288 0.05 1 464.2324 0.07 1 464.5046 0.05 1 464.9573 0.11 2 465.4306 0.12 3 466.2268 0.10 2 466.7888 0.08 2 467.4046 0.14 3 468.2343 0.13 3 468.9072 0.09 2 469.4043 0.13 3 470.2784 0.16 3 473.3936 0.34 7 474.4263 0.36 8 475.5035 0.25 5 476.3304 0.37 8 476.7503 0.14 3 477.3523 0.24 5 478.2602 0.15 3 478.8449 0.08 2 479.3741 0.21 4 480.3297 0.11 2 481.2742 0.07 1 482.1998 0.06 1 482.7640 0.05 1 483.3394 0.12 3 483.6279 0.03 1 484.3253 0.19 4 485.0466 0.06 1 485.6316 0.05 1 486.4100 0.10 2 486.7509 0.02 0 487.4200 0.16 3 487.9686 0.06 1 488.3777 0.08 2 489.2981 0.13 3 489.8633 0.07 1 490.5473 0.12 3 492.4001 9.09 193 492.9749 0.25 5 494.1247 0.09 2 494.5476 0.08 2 494.9737 0.05 1 495.4742 0.12 3 496.3993 0.15 3 496.7652 0.08 2 497.4099 0.12 3 498.4270 0.15 3 499.1273 0.10 2 499.6406 0.07 1 500.4012 1.17 25 501.3614 0.06 1 501.9636 0.05 1 502.5879 0.05 1 503.3708 0.11 2 504.4390 0.13 3 504.7116 0.07 1 505.4106 0.27 6 505.9764 0.09 2 507.4126 0.07 1 508.3859 0.13 3 508.7426 0.04 1 509.4608 0.21 4 510.4121 0.30 6 510.8592 0.06 1 511.3777 0.08 2 512.2213 0.23 5 512.4496 0.15 3 513.4027 0.10 2 514.4177 0.10 2 514.6523 0.04 1 515.3296 0.10 2 515.7519 0.06 1 516.6789 0.08 2 517.3307 0.10 2 517.8970 0.06 1 518.6011 0.08 2 519.4998 0.21 4 520.8795 0.12 3 521.2845 0.19 4 522.2514 0.11 2 523.2468 0.16 3 524.2708 0.16 3 524.7345 0.11 2 525.2853 0.19 4 525.6129 0.10 2 526.3901 0.23 5 526.7462 0.14 3 527.4586 0.20 4 528.3799 1.15 24 529.3265 0.11 2 530.3667 0.09 2 531.1203 0.05 1 531.4576 0.06 1 531.9167 0.07 1 532.7100 0.11 2 533.3988 0.28 6 533.7567 0.12 3 534.5897 0.15 3 535.4227 0.30 6 536.4014 0.19 4 537.3707 0.20 4 538.3480 0.32 7 539.4124 0.15 3 540.5339 0.26 6 541.4227 0.50 11 542.0690 0.18 4 543.5472 0.26 6 544.6215 0.28 6 545.4819 0.39 8 548.0997 1.39 29 551.3488 2.52 53 553.2145 2.74 58 554.4320 0.65 14 555.4942 0.25 5 556.4138 0.15 3 556.8481 0.11 2 565.4686 3.81 81 566.4647 34.34 728 567.4561 2.25 48 568.4254 1.13 24 569.4423 1.98 42 570.6509 0.61 13 584.3922 99.97 999 587.7766 3.46 73 588.9702 1.31 28 590.2969 0.81 17 591.3181 0.45 10 592.3837 0.32 7 //