MassBank Record: CA000107



 Zeaxanthin; FAB-EBEB; MS2; m/z: 568.43; [M]+* 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: CA000107
RECORD_TITLE: Zeaxanthin; FAB-EBEB; MS2; m/z: 568.43; [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.
COMMENT: Profile spectrum of this record is given as a JPEG file.
COMMENT: [Profile] CA000107.jpg

CH$NAME: Zeaxanthin CH$COMPOUND_CLASS: N/A CH$FORMULA: C40H56O2 CH$EXACT_MASS: 568.42803 CH$SMILES: C(=CC=C(C=CC=C(C)C=CC(=C(C)2)C(C)(C)CC(C2)O)C)C=C(C=CC=C(C)C=CC(=C(C)1)C(C)(C)CC(C1)O)C CH$IUPAC: InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1 CH$LINK: CAS 144-68-3 CH$LINK: CHEBI 27547 CH$LINK: KEGG C06098 CH$LINK: LIPIDBANK VCA0007 CH$LINK: PUBCHEM 8363
AC$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 476.3185 MS$FOCUSED_ION: PRECURSOR_M/Z 568.43 MS$FOCUSED_ION: PRECURSOR_TYPE [M]+* MS$DATA_PROCESSING: RELATIVE_M/Z normalised by peak(m/z=476.3185). set 999 for peak(m/z=568.3062,rel=3451).
PK$SPLASH: splash10-014i-2920020000-6e0964e9063b971fd865 PK$NUM_PEAK: 580 PK$PEAK: m/z int. rel.int. 12.0230 0.01 0 13.0074 0.01 0 14.0380 0.02 1 15.0388 0.16 6 16.0461 0.01 0 19.0465 0.01 0 23.0143 0.01 0 25.0239 0.01 0 26.0386 0.17 6 27.0448 1.56 54 28.0484 0.16 6 29.0524 2.07 71 30.0269 0.02 1 31.0298 0.29 10 36.2210 0.01 0 37.0270 0.11 4 37.6381 0.01 0 38.0308 0.28 10 38.3830 0.01 0 38.6289 0.01 0 39.0434 2.87 99 39.4213 0.01 0 40.0430 0.23 8 41.0478 5.69 196 42.0583 0.12 4 43.0385 4.06 140 43.4565 0.01 0 44.0503 0.11 4 45.0382 0.19 7 49.0330 0.03 1 50.0157 0.50 17 50.3833 0.01 0 50.6296 0.01 0 51.0208 1.29 45 52.0215 0.41 14 52.5111 0.01 0 53.0223 2.44 84 54.0353 0.11 4 54.5767 0.01 0 55.0275 6.88 237 56.0214 0.10 3 57.0362 4.37 151 58.0076 0.04 1 58.2512 0.01 0 59.0241 0.70 24 60.0022 0.01 0 61.0525 0.07 2 62.0142 0.40 14 62.5053 0.01 0 63.0115 1.15 40 63.4834 0.02 1 64.0118 0.27 9 65.0149 2.27 78 65.4192 0.01 0 66.0149 0.39 13 67.0200 4.47 154 68.0181 0.17 6 69.0247 5.90 204 70.0495 0.06 2 70.3656 0.01 0 71.0087 1.40 48 71.5583 0.01 0 72.0674 0.02 1 72.5152 0.01 0 73.0186 0.07 2 74.0047 0.34 12 74.4947 0.02 1 75.0137 0.56 19 75.5236 0.03 1 76.0073 0.34 12 76.3248 0.05 2 77.0139 8.36 289 78.0148 1.62 56 79.0262 8.31 287 80.0281 0.93 32 81.0304 9.75 337 81.6599 0.01 0 82.0279 0.21 7 83.0382 3.29 114 84.0310 0.07 2 84.3431 0.01 0 85.0252 5.30 183 86.0231 0.19 7 86.5072 0.01 0 87.0147 0.25 9 88.0176 0.11 4 89.0319 1.03 36 90.0449 0.43 15 91.0409 19.43 671 92.0354 1.77 61 93.0489 13.92 481 94.0513 0.88 30 95.0564 8.85 305 95.7016 0.05 2 96.0376 0.30 10 96.5621 0.04 1 97.0560 0.93 32 97.5777 0.01 0 98.0217 0.13 4 98.4375 0.02 1 99.0533 0.20 7 100.0347 0.07 2 101.0351 0.29 10 101.3458 0.06 2 102.0439 1.09 38 103.0506 3.40 117 104.0435 1.56 54 105.0513 26.42 912 106.0437 2.59 89 107.0608 12.95 447 108.0560 0.85 29 109.0609 6.55 226 109.5546 0.08 3 110.0634 0.27 9 111.0410 0.89 31 111.5297 0.02 1 111.7122 0.01 0 112.0481 0.04 1 113.0342 0.31 11 114.0244 0.40 14 115.0390 9.79 338 116.0282 3.76 130 117.0391 10.28 355 118.0394 1.96 68 119.0398 28.12 971 120.0456 3.01 104 121.0489 9.38 324 122.0237 0.51 18 123.0392 2.17 75 124.0438 0.15 5 125.0497 0.42 14 126.0380 0.44 15 127.0370 3.80 131 128.0278 11.19 386 129.0252 13.84 478 130.0225 5.27 182 131.0320 15.77 544 132.0330 2.71 94 133.0367 14.33 495 134.0442 1.43 49 135.0378 6.45 223 135.9949 0.48 17 137.0262 1.46 50 137.9840 0.21 7 139.0216 1.49 51 140.0397 0.59 20 141.0283 9.61 332 142.0318 9.66 333 143.0336 17.62 608 144.0406 5.71 197 145.0486 19.15 661 146.0506 1.79 62 147.0633 6.30 217 148.0394 0.65 22 149.0681 3.71 128 150.0390 0.37 13 151.0822 1.55 54 152.0605 3.95 136 153.0607 5.58 193 154.0702 2.89 100 155.0652 10.71 370 156.0723 7.74 267 157.0788 16.90 583 158.0848 3.76 130 159.1015 10.59 366 160.1007 1.51 52 161.0965 3.26 113 162.0917 0.44 15 163.1103 1.52 52 164.0901 0.75 26 165.0905 8.70 300 166.0958 3.19 110 167.0977 7.66 264 168.0945 3.52 122 169.1070 11.55 399 170.1075 4.54 157 171.1116 9.39 324 172.1107 1.88 65 173.1205 6.24 215 174.1139 0.71 25 175.1293 3.97 137 176.0843 0.90 31 177.0911 1.50 52 178.0901 4.73 163 179.0869 7.76 268 180.0885 3.38 117 181.0952 9.07 313 182.0953 3.46 119 183.0960 10.32 356 184.0974 2.43 84 185.1022 5.16 178 186.1063 1.04 36 187.1023 2.49 86 188.0804 0.47 16 189.0833 2.96 102 190.0811 1.13 39 191.0781 3.36 116 192.0813 3.40 117 193.0823 6.66 230 194.0780 3.55 123 195.0815 9.78 338 196.0942 2.74 95 197.0974 7.87 272 198.0853 1.08 37 199.0967 2.62 90 200.0582 0.60 21 201.0952 2.09 72 202.0721 2.57 89 203.0842 3.31 114 204.0910 1.43 49 205.0853 3.60 124 206.0816 2.76 95 207.0870 6.02 208 208.1030 2.72 94 209.0964 6.97 241 210.1003 1.57 54 210.5380 0.13 4 211.1178 3.21 111 212.1010 0.59 20 213.1296 1.41 49 214.1180 0.42 14 215.0996 2.91 100 216.1063 1.40 48 217.1091 3.38 117 218.1138 1.42 49 219.1161 3.81 132 220.1245 1.83 63 221.1218 4.19 145 222.1355 1.24 43 223.1409 2.97 103 224.1570 0.85 29 225.1515 1.77 61 226.1640 0.75 26 227.1316 1.13 39 228.1449 1.02 35 229.1298 2.42 84 230.1171 1.01 35 231.1282 2.68 93 232.1441 1.45 50 233.1457 3.30 114 234.1594 1.21 42 235.1501 2.96 102 236.1558 0.73 25 237.1604 1.88 65 238.1712 0.52 18 239.1633 1.58 55 240.1529 0.55 19 241.1487 1.36 47 242.1170 0.65 22 243.1472 1.88 65 244.1601 0.97 33 245.1499 2.09 72 246.1415 1.12 39 247.1643 2.63 91 248.1815 0.70 24 249.1830 1.89 65 250.1774 0.51 18 251.1795 1.11 38 252.1628 0.66 23 253.1581 1.10 38 254.1920 0.49 17 255.1806 1.70 59 256.1694 0.76 26 257.1790 1.71 59 258.1801 0.89 31 259.1786 1.95 67 260.1803 0.72 25 261.1823 1.91 66 262.1890 0.62 21 263.2034 1.37 47 264.1754 0.26 9 265.1830 0.89 31 266.1127 0.46 16 267.1887 1.02 35 268.1898 0.50 17 269.1867 1.47 51 270.1618 0.57 20 271.2079 1.29 45 272.1865 0.56 19 273.1880 1.02 35 274.1942 0.44 15 275.2153 1.00 35 276.2117 0.44 15 277.2231 0.68 23 278.2303 0.34 12 279.2009 0.75 26 280.1525 0.34 12 281.1989 0.93 32 282.1909 0.41 14 283.2083 1.40 48 284.1815 0.61 21 285.2112 1.26 43 286.2012 0.46 16 287.1944 0.94 32 288.2352 0.28 10 289.2037 0.64 22 290.2064 0.30 10 291.2137 0.48 17 292.1591 0.30 10 293.2321 0.53 18 294.1705 0.21 7 295.2129 0.78 27 296.1888 0.43 15 297.1945 1.06 37 298.1975 0.53 18 299.1992 0.65 22 300.2249 0.29 10 301.2256 0.59 20 302.2339 0.27 9 303.2098 0.53 18 304.2097 0.27 9 305.1830 0.47 16 306.1774 0.29 10 307.2164 0.53 18 308.1592 0.20 7 309.1838 0.55 19 310.2280 0.37 13 311.1906 0.48 17 312.1802 0.27 9 313.1863 0.41 14 314.1912 0.21 7 315.2096 0.46 16 316.1732 0.21 7 317.2277 0.51 18 318.2095 0.24 8 319.2094 0.43 15 320.2094 0.23 8 321.2528 0.60 21 322.2755 0.25 9 323.2479 0.34 12 324.2054 0.17 6 325.2302 0.27 9 326.2373 0.18 6 327.1984 0.34 12 328.2625 0.17 6 329.2239 0.39 13 330.2347 0.17 6 331.2636 0.40 14 332.2184 0.19 7 333.2443 0.53 18 334.2734 0.15 5 335.2445 0.62 21 336.2546 0.35 12 337.2529 0.60 21 338.3036 0.26 9 339.2828 0.17 6 340.2787 0.13 4 341.2403 0.21 7 342.2693 0.18 6 343.1865 0.31 11 344.1949 0.21 7 345.2363 0.53 18 346.2211 0.22 8 347.2733 0.54 19 348.2166 0.42 14 349.2616 0.74 26 350.2440 0.33 11 351.2655 0.45 16 352.2064 0.20 7 353.2192 0.23 8 353.6614 0.05 2 354.2963 0.14 5 355.3124 0.21 7 356.2419 0.19 7 357.2673 0.38 13 358.3077 0.23 8 359.2484 0.45 16 360.2025 0.24 8 361.2791 0.60 21 362.2587 0.81 28 363.3028 0.46 16 364.3036 0.39 13 365.2912 0.17 6 366.2012 0.05 2 367.3086 0.09 3 367.6927 0.05 2 368.3055 0.06 2 369.2278 0.19 7 370.2056 0.13 4 371.2732 0.25 9 372.1914 0.31 11 373.2540 0.73 25 374.2698 0.23 8 375.2498 0.85 29 376.2555 0.36 12 377.2298 0.20 7 377.7484 0.02 1 378.2566 0.07 2 379.2775 0.11 4 379.6004 0.06 2 380.3450 0.09 3 381.2869 0.12 4 382.2439 0.07 2 383.3192 0.13 4 384.2166 0.10 3 384.6100 0.05 2 385.2668 0.20 7 386.2213 0.13 4 387.2567 0.46 16 388.2503 0.47 16 389.1917 0.69 24 390.2394 0.11 4 391.2513 0.16 6 392.2484 0.06 2 393.2831 0.17 6 394.3658 0.07 2 395.3108 0.10 3 395.8949 0.05 2 396.4626 0.09 3 397.3315 0.11 4 398.2139 0.09 3 399.3122 0.35 12 400.2023 0.14 5 401.2288 1.05 36 402.2765 0.45 16 403.2614 0.58 20 404.2972 0.19 7 405.2194 0.11 4 406.3090 0.07 2 406.6877 0.01 0 407.2655 0.07 2 408.3164 0.06 2 409.3271 0.07 2 410.3243 0.50 17 411.3950 0.09 3 411.7410 0.04 1 412.2547 0.07 2 413.3151 0.25 9 414.2798 0.30 10 415.2641 1.17 40 416.2634 0.42 14 417.2509 0.91 31 418.2564 0.18 6 419.2845 0.06 2 420.2558 0.05 2 421.3872 0.09 3 421.7271 0.02 1 422.2451 0.09 3 423.2963 0.22 8 424.2443 0.12 4 425.2477 0.09 3 426.1330 0.08 3 427.2415 0.19 7 428.3006 0.76 26 429.3224 0.29 10 430.1586 0.11 4 431.2046 0.38 13 432.2866 0.17 6 433.2084 0.20 7 433.7809 0.10 3 434.3850 0.07 2 435.2935 0.08 3 436.2395 0.15 5 437.3206 0.14 5 438.3627 0.10 3 441.1163 0.32 11 442.3418 0.18 6 443.7910 0.13 4 446.6989 0.44 15 448.2072 0.19 7 449.2623 0.21 7 450.4647 0.11 4 451.3744 0.11 4 452.3622 0.09 3 454.5154 0.22 8 457.7891 0.28 10 459.9484 0.20 7 461.3882 0.51 18 462.2851 0.64 22 463.0891 0.15 5 463.5721 0.09 3 464.6432 0.04 1 465.3708 0.11 4 466.0970 0.11 4 467.3319 0.08 3 468.2982 0.39 13 469.0951 0.10 3 469.4718 0.05 2 470.1997 0.10 3 470.8571 0.08 3 471.3869 0.06 2 472.2710 0.12 4 474.3396 0.31 11 476.3185 28.94 999 477.3380 0.32 11 478.0018 0.20 7 479.1311 0.14 5 479.9571 0.10 3 480.4513 0.11 4 481.2834 0.16 6 482.2703 0.16 6 483.3653 0.10 3 484.2935 0.06 2 484.5875 0.03 1 485.0764 0.03 1 486.1007 0.06 2 486.4112 0.03 1 487.3891 0.19 7 488.3221 0.53 18 489.3301 0.76 26 490.2497 0.06 2 490.8258 0.01 0 491.2804 0.11 4 492.1881 0.08 3 493.3375 0.16 6 494.1868 0.15 5 495.4729 0.10 3 496.2323 0.16 6 496.5640 0.06 2 497.3685 0.07 2 498.1430 0.05 2 498.6293 0.06 2 498.9520 0.02 1 499.3558 0.03 1 499.8737 0.02 1 500.3121 0.03 1 501.0132 0.02 1 501.5536 0.01 0 502.0911 0.03 1 502.3253 0.01 0 502.7938 0.01 0 503.1556 0.02 1 504.2202 0.07 2 504.5491 0.02 1 505.2954 0.06 2 506.2520 0.08 3 506.6199 0.04 1 507.2732 0.26 9 508.1819 0.33 11 508.4297 0.17 6 509.3159 0.13 4 510.2353 0.26 9 511.2036 0.08 3 511.6908 0.04 1 512.3444 0.13 4 512.5843 0.07 2 513.4028 0.05 2 514.1674 0.04 1 514.7657 0.01 0 514.9636 0.01 0 515.4449 0.03 1 515.8707 0.04 1 516.1361 0.03 1 516.5410 0.02 1 517.1378 0.04 1 517.5082 0.08 3 518.0225 0.02 1 518.3015 0.04 1 519.3392 0.07 2 520.2196 0.14 5 521.2185 0.15 5 522.1890 0.32 11 523.1955 0.55 19 524.2336 0.63 22 525.2792 0.07 2 526.2829 0.09 3 527.0841 0.08 3 527.8163 0.05 2 528.7122 0.04 1 529.8105 0.07 2 530.8580 0.06 2 531.3908 0.09 3 532.3258 0.06 2 532.7581 0.05 2 533.3344 0.06 2 534.2800 0.16 6 535.4028 0.35 12 536.2809 0.39 13 537.2792 0.23 8 538.2220 0.56 19 539.1288 0.84 29 540.1153 0.17 6 541.4381 0.12 4 550.3956 4.96 171 551.3301 1.23 42 552.2345 2.68 93 553.3339 6.38 220 568.3062 99.97 999 571.4632 6.08 210 573.0637 1.70 59 //