MassBank Record: CA000010



 8'-Apozeaxanthinal; FAB-EBEB; MS2; m/z: 432.30; [M]+* 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: CA000010
RECORD_TITLE: 8'-Apozeaxanthinal; FAB-EBEB; MS2; m/z: 432.30; [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] CA000010.jpg

CH$NAME: 8'-Apozeaxanthinal CH$COMPOUND_CLASS: N/A CH$FORMULA: C30H40O2 CH$EXACT_MASS: 432.30283 CH$SMILES: CC(C1)=C(C(C)(C)CC1O)C=CC(=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=O)C CH$IUPAC: InChI=1S/C30H40O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-19,22,28,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16+,26-17+/t28-/m1/s1
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$FOCUSED_ION: BASE_PEAK 91.0681 MS$FOCUSED_ION: PRECURSOR_M/Z 432.30 MS$FOCUSED_ION: PRECURSOR_TYPE [M]+* MS$DATA_PROCESSING: RELATIVE_M/Z normalised by peak(m/z=91.0681). set 999 for peak(m/z=432.3324,rel=7498).
PK$SPLASH: splash10-001i-2920400000-4e33cf66fa6e9d22cf29 PK$NUM_PEAK: 624 PK$PEAK: m/z int. rel.int. 13.0179 0.01 1 14.0140 0.01 1 15.0310 0.09 7 18.0268 0.01 1 22.9988 0.01 1 25.0095 0.03 2 26.0191 0.10 8 27.0287 0.82 61 28.0196 0.04 3 29.0302 0.57 43 30.0258 0.02 2 31.0235 0.07 5 37.0040 0.06 5 38.0203 0.13 10 38.7470 0.01 1 39.0163 1.16 87 39.7803 0.01 1 40.0174 0.17 13 41.0241 1.94 146 42.0204 0.04 3 43.0120 1.29 97 44.0223 0.04 3 45.0134 0.08 6 47.8335 0.01 1 48.6712 0.01 1 49.0086 0.05 4 49.2858 0.01 1 49.9997 0.41 31 51.0124 1.09 82 52.0127 0.35 26 53.0243 1.95 146 54.0148 0.18 13 54.4587 0.01 1 55.0292 3.12 234 56.0155 0.06 5 57.0388 1.19 89 57.9683 0.02 2 59.0163 0.26 20 60.0579 0.02 2 60.9911 0.10 8 62.0223 0.36 27 63.0208 1.02 77 63.5470 0.03 2 64.0229 0.31 23 64.4919 0.03 2 65.0246 2.10 158 65.4090 0.02 2 66.0277 0.49 37 67.0360 2.42 181 68.0261 0.14 11 68.4435 0.01 1 69.0349 2.58 194 69.4712 0.03 2 69.9799 0.02 2 70.1460 0.01 1 71.0321 0.85 64 71.4247 0.01 1 72.0222 0.02 2 73.0340 0.04 3 74.0207 0.33 25 75.0389 0.44 33 75.5885 0.04 3 76.0309 0.41 31 76.4488 0.07 5 77.0394 6.01 451 77.6299 0.05 4 78.0424 1.43 107 78.4514 0.03 2 79.0520 5.28 396 79.6625 0.02 2 80.0569 0.56 42 81.0500 3.16 237 81.4507 0.04 3 82.0312 0.28 21 82.3628 0.01 1 83.0603 1.02 77 83.5371 0.03 2 84.0347 0.07 5 85.0601 1.32 99 85.5215 0.01 1 86.0458 0.11 8 87.0314 0.19 14 88.0539 0.10 8 88.3339 0.03 2 89.0680 0.79 59 89.5686 0.06 5 90.0635 0.36 27 90.5033 0.10 8 91.0681 13.32 999 92.0653 1.23 92 93.0736 5.51 413 94.0754 0.40 30 94.4530 0.02 2 95.0686 4.37 328 96.0562 0.33 25 96.4361 0.02 2 96.7975 0.03 2 97.0705 0.40 30 97.6784 0.02 2 98.0343 0.11 8 99.0686 0.12 9 99.5445 0.01 1 100.0242 0.04 3 100.6756 0.02 2 101.0543 0.28 21 101.5443 0.02 2 102.0651 0.75 56 103.0690 2.18 164 103.5343 0.03 2 104.0587 1.11 83 104.3689 0.05 4 105.0687 12.21 916 106.0770 1.27 95 107.0709 4.70 353 107.5694 0.03 2 108.0662 0.43 32 109.0681 2.11 158 109.6760 0.02 2 110.0437 0.14 11 110.7256 0.02 2 111.0535 0.37 28 111.5260 0.03 2 112.0816 0.06 5 112.5558 0.03 2 113.0621 0.24 18 113.4101 0.07 5 114.0310 0.27 20 115.0501 7.24 543 116.0523 2.65 199 117.0525 6.33 475 117.4845 0.06 5 118.0549 1.34 101 118.4799 0.05 4 119.0595 10.04 753 119.4464 0.11 8 120.0631 1.19 89 120.5846 0.05 4 121.0646 3.69 277 121.5803 0.02 2 122.0403 0.36 27 122.4328 0.02 2 123.0633 0.91 68 123.4670 0.03 2 124.0367 0.14 11 124.6079 0.01 1 125.0435 0.25 19 126.0219 0.33 25 126.5115 0.10 8 127.0587 2.61 196 128.0533 7.57 568 129.0565 7.83 587 130.0605 2.79 209 130.5575 0.15 11 131.0699 6.97 523 132.0846 1.38 104 133.0774 4.87 365 134.0721 0.75 56 134.4577 0.08 6 135.0808 2.40 180 136.0381 0.27 20 136.3839 0.04 3 137.0736 0.54 41 137.4830 0.03 2 138.0980 0.20 15 139.0697 1.00 75 140.0630 0.34 26 141.0888 6.72 504 142.0837 4.94 371 143.0947 8.26 620 144.0945 2.69 202 145.1082 6.78 509 146.1006 0.91 68 147.1148 3.75 281 147.7113 0.03 2 148.1417 0.34 26 148.5327 0.03 2 149.1177 1.56 117 149.5949 0.04 3 150.1175 0.45 34 151.1246 1.04 78 151.4932 0.16 12 152.1180 2.64 198 153.1221 3.77 283 153.5564 0.07 5 154.1235 1.75 131 155.1230 5.87 440 155.6754 0.11 8 156.1255 4.15 311 157.1374 6.91 518 158.1224 1.68 126 159.1335 4.16 312 159.5215 0.09 7 160.1219 0.62 47 161.1109 1.59 119 162.1404 0.28 21 162.3974 0.09 7 163.1118 0.71 53 164.1248 0.52 39 165.1096 5.83 437 166.0927 1.86 140 167.1107 4.46 335 167.5439 0.11 8 168.1093 1.88 141 168.5416 0.11 8 169.1096 4.84 363 170.1161 1.74 131 171.1263 3.83 287 172.1127 0.94 70 172.6228 0.09 7 173.1218 2.82 211 173.5854 0.07 5 174.1203 0.31 23 175.1283 1.23 92 176.0821 0.48 36 177.1190 0.74 56 178.0994 2.97 223 179.0960 4.21 316 180.1031 1.75 131 181.1050 4.27 320 182.1075 1.78 134 183.1138 4.21 316 183.6535 0.06 5 184.1239 1.13 85 185.1322 2.31 173 185.7195 0.05 4 186.1433 0.44 33 187.1245 1.10 83 188.1353 0.25 19 189.1196 1.52 114 190.0965 0.68 51 190.4402 0.09 7 191.1198 1.97 148 192.1312 1.80 135 193.1217 2.79 209 194.1373 1.69 127 194.5142 0.08 6 195.1376 4.32 324 196.1214 1.21 91 197.1496 3.26 244 197.7117 0.03 2 198.1668 0.59 44 198.6705 0.05 4 199.1642 1.23 92 200.1665 0.34 26 200.5262 0.10 8 201.1319 1.00 75 201.5651 0.10 8 202.1631 1.14 85 203.1417 1.62 122 204.1477 0.80 60 205.1371 1.67 125 206.1552 1.06 80 207.1680 2.77 208 208.1562 0.89 67 209.1762 2.36 177 210.1586 0.78 59 211.1866 1.61 121 212.1449 0.50 38 213.1713 1.01 76 214.2094 0.17 13 215.1697 1.53 115 216.1598 0.62 47 216.5141 0.05 4 217.1638 1.43 107 217.5657 0.08 6 218.1919 0.73 55 219.1784 1.66 125 220.1799 0.76 57 221.1829 1.83 137 221.7225 0.07 5 222.2043 0.46 35 223.2011 1.62 122 224.1891 0.33 25 224.6316 0.05 4 225.2126 1.04 78 226.2363 0.49 37 227.1855 0.65 49 227.6056 0.05 4 228.1723 0.60 45 228.5154 0.09 7 229.1822 1.02 77 230.1947 0.53 40 231.1790 0.93 70 232.2097 0.55 41 233.2067 1.17 88 233.5633 0.06 5 234.2119 0.55 41 235.2059 1.12 84 235.5332 0.09 7 236.2230 0.27 20 237.2029 1.01 76 238.1989 0.24 18 239.2065 0.67 50 239.6433 0.06 5 240.2178 0.26 20 240.7219 0.08 6 241.2067 0.66 50 241.6938 0.03 2 242.1775 0.38 29 242.5042 0.06 5 243.2078 0.62 47 244.2076 0.43 32 245.1962 0.71 53 245.8103 0.07 5 246.2250 0.32 24 247.2241 1.12 84 248.1942 0.37 28 249.2077 0.86 65 250.1680 0.23 17 250.7445 0.02 2 251.2379 0.51 38 251.7757 0.04 3 252.2065 0.28 21 252.5963 0.02 2 253.2108 0.42 31 253.6645 0.02 2 254.2050 0.19 14 254.7067 0.08 6 255.2039 0.78 59 256.2214 0.28 21 256.6697 0.03 2 257.2140 0.35 26 257.7057 0.02 2 258.2159 0.34 26 258.4304 0.13 10 259.2328 0.69 52 259.7682 0.03 2 260.2226 0.16 12 261.2320 0.63 47 261.7383 0.02 2 262.2640 0.18 13 263.2529 0.53 40 264.2591 0.20 15 265.2382 0.37 28 266.2220 0.18 13 266.7870 0.03 2 267.2128 0.50 38 267.6500 0.04 3 268.2597 0.15 11 269.2247 0.70 52 270.2070 0.31 23 270.7210 0.06 5 271.2500 0.38 29 272.2589 0.26 20 273.2486 0.38 29 274.1882 0.15 11 275.1931 0.41 31 275.8769 0.07 5 276.2428 0.21 16 277.2298 0.31 23 278.1678 0.23 17 279.2020 0.86 65 280.2159 0.12 9 280.7789 0.02 2 281.2162 0.30 23 281.7049 0.04 3 282.2407 0.60 45 283.2287 0.52 39 283.7417 0.02 2 284.2272 0.17 13 284.7930 0.03 2 285.2167 0.28 21 286.1984 0.17 13 286.7197 0.05 4 287.2513 0.32 24 287.8551 0.02 2 288.2493 0.06 5 288.4923 0.03 2 289.2796 0.21 16 289.6705 0.05 4 289.8310 0.03 2 290.3170 0.08 6 290.7263 0.05 4 291.1493 0.15 11 291.3694 0.21 16 292.1996 0.17 13 292.4014 0.06 5 293.2351 0.25 19 293.9210 0.03 2 294.2410 0.16 12 294.4108 0.06 5 295.2391 0.21 16 295.6544 0.07 5 296.3290 0.24 18 296.7456 0.02 2 297.2516 0.19 14 297.7451 0.02 2 298.2685 0.15 11 299.2465 0.17 13 300.3238 0.09 7 300.7628 0.07 5 301.2866 0.15 11 301.8701 0.02 2 302.2863 0.10 8 302.7173 0.02 2 303.2390 0.16 12 303.4856 0.07 5 304.5658 0.20 15 305.4489 0.26 20 306.1945 0.11 8 306.7486 0.09 7 307.3245 0.21 16 307.6859 0.08 6 308.2160 0.18 13 308.4547 0.08 6 309.2603 0.28 21 309.7124 0.10 8 310.2587 0.17 13 311.1816 0.17 13 311.7005 0.09 7 312.2527 0.07 5 312.6511 0.06 5 312.8738 0.04 3 313.3653 0.14 11 313.7258 0.01 1 314.2552 0.13 10 314.7651 0.04 3 315.3175 0.22 17 316.2433 0.11 8 316.3973 0.05 4 316.6063 0.01 1 317.3014 0.18 13 317.7184 0.09 7 318.3354 0.12 9 319.2604 0.14 11 319.8396 0.02 2 320.4338 0.05 4 320.8625 0.02 2 321.3659 0.14 11 321.8487 0.01 1 322.3419 0.17 13 323.2336 0.13 10 323.4827 0.05 4 323.8489 0.05 4 324.0820 0.05 4 324.4562 0.03 2 324.7214 0.02 2 325.3414 0.23 17 325.8386 0.03 2 326.3013 0.15 11 327.3222 0.13 10 327.5967 0.04 3 328.2962 0.08 6 328.5523 0.03 2 328.8337 0.04 3 329.2760 0.11 8 330.3042 0.09 7 330.6546 0.04 3 330.8579 0.02 2 331.3198 0.20 15 332.3126 0.12 9 332.5183 0.02 2 332.7734 0.03 2 333.3780 0.21 16 334.2434 0.07 5 334.5009 0.04 3 334.8894 0.03 2 335.3733 0.23 17 336.2644 0.21 16 337.3529 0.27 20 337.7227 0.02 2 338.2177 0.05 4 338.7816 0.02 2 339.3364 0.09 7 339.5638 0.07 5 340.3139 1.34 101 340.9906 0.04 3 341.3812 0.09 7 342.3624 0.05 4 342.6830 0.02 2 343.2897 0.06 5 344.1251 0.02 2 344.4170 0.08 6 345.2848 0.09 7 345.5916 0.04 3 345.8169 0.03 2 346.1928 0.09 7 346.7940 0.04 3 347.3630 0.13 10 347.8171 0.02 2 348.3265 0.08 6 348.8140 0.02 2 349.3245 0.17 13 350.2962 0.11 8 351.2806 0.05 4 351.8982 0.05 4 352.2720 0.21 16 352.6551 0.01 1 353.3130 0.54 41 354.2552 0.04 3 355.0502 0.05 4 355.3136 0.05 4 355.6059 0.01 1 356.1501 0.03 2 356.4297 0.03 2 356.7140 0.03 2 357.2283 0.08 6 357.5022 0.09 7 358.2756 0.15 11 358.5357 0.04 3 358.9558 0.04 3 359.3564 0.08 6 360.1460 0.06 5 360.6513 0.04 3 361.2971 0.13 10 362.2769 0.18 13 362.9297 0.01 1 363.3212 0.15 11 364.2339 0.02 2 364.5891 0.03 2 364.9179 0.01 1 365.3731 0.03 2 366.7447 0.01 1 367.4127 0.03 2 367.6266 0.01 1 368.0302 0.01 1 368.2866 0.04 3 368.4648 0.01 1 368.6948 0.02 2 368.9110 0.04 3 369.2767 0.03 2 369.6229 0.02 2 370.0380 0.03 2 370.2105 0.02 2 370.4498 0.01 1 371.2975 0.08 6 371.5356 0.06 5 372.3408 0.04 3 372.8665 0.01 1 373.4474 0.21 16 373.8938 0.03 2 374.3851 0.14 11 374.9765 0.03 2 375.3539 0.14 11 375.7566 0.01 1 376.3584 0.17 13 376.6357 0.03 2 376.8452 0.01 1 377.3262 0.06 5 377.7244 0.01 1 378.1902 0.01 1 378.6201 0.04 3 379.1731 0.02 2 379.6202 0.01 1 380.2582 0.01 1 380.6560 0.04 3 381.2826 0.05 4 382.2588 0.04 3 382.7440 0.01 1 383.2396 0.07 5 383.4420 0.04 3 383.7180 0.02 2 384.4080 0.04 3 384.7231 0.02 2 385.1969 0.08 6 385.4016 0.04 3 386.3367 0.06 5 386.8992 0.04 3 387.4099 0.24 18 387.9091 0.02 2 388.3440 0.28 21 389.2735 0.14 11 390.2687 0.07 5 390.6588 0.03 2 391.1213 0.01 1 391.4332 0.01 1 391.8727 0.06 5 392.1178 0.04 3 392.4700 0.04 3 392.7588 0.07 5 393.3791 0.06 5 393.7290 0.07 5 394.0892 0.01 1 394.3309 0.07 5 394.7211 0.06 5 395.1136 0.04 3 395.3932 0.04 3 395.9699 0.05 4 396.4465 0.02 2 396.7285 0.03 2 397.1809 0.04 3 397.4698 0.06 5 397.9292 0.06 5 398.1790 0.08 6 399.3384 0.24 18 399.5364 0.13 10 400.3309 0.12 9 400.7685 0.06 5 401.3373 0.30 23 402.3542 0.68 51 402.7250 0.07 5 403.3469 0.64 48 403.7385 0.09 7 403.9320 0.04 3 404.3927 0.14 11 405.0700 0.02 2 405.4374 0.02 2 405.7450 0.05 4 406.6619 0.09 7 407.7472 0.17 13 409.5932 0.23 17 411.6522 0.32 24 414.4214 3.89 292 415.3660 0.31 23 416.3498 0.37 28 417.4350 2.38 179 418.3384 0.07 5 418.7423 0.02 2 419.1958 0.05 4 419.4559 0.02 2 419.8657 0.01 1 420.0706 0.01 1 420.8095 0.01 1 421.1583 0.01 1 421.7039 0.04 3 422.1402 0.05 4 422.5489 0.08 6 423.2649 0.16 12 424.8364 0.27 20 432.3324 99.97 999 433.4424 7.80 585 434.2151 2.67 200 435.0776 1.18 88 435.6963 0.64 48 //