MassBank Record: CA000012



 12'-Apozeaxanthin; FAB-EBEB; MS2; m/z: 366.26; [M]+* 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: CA000012
RECORD_TITLE: 12'-Apozeaxanthin; FAB-EBEB; MS2; m/z: 366.26; [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] CA000012.jpg

CH$NAME: 12'-Apozeaxanthin CH$COMPOUND_CLASS: N/A CH$FORMULA: C25H34O2 CH$EXACT_MASS: 366.25588 CH$SMILES: O=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC(=C(C)1)C(C)(C)CC(O)C1 CH$IUPAC: InChI=1S/C25H34O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,18,23,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t23-/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$FOCUSED_ION: BASE_PEAK 91.0558 MS$FOCUSED_ION: PRECURSOR_M/Z 366.26 MS$FOCUSED_ION: PRECURSOR_TYPE [M]+* MS$DATA_PROCESSING: RELATIVE_M/Z normalised by peak(m/z=91.0558). set 999 for peak(m/z=366.2165,rel=2669).
PK$SPLASH: splash10-014i-3912000000-a138d3f0259c8ed0a9ed PK$NUM_PEAK: 499 PK$PEAK: m/z int. rel.int. 12.0048 0.02 1 13.0149 0.05 1 13.9981 0.07 2 15.0221 0.31 8 17.0024 0.01 0 19.0185 0.03 1 22.9573 0.01 0 24.0050 0.01 0 25.0119 0.06 2 26.0059 0.47 13 26.2886 0.01 0 27.0131 2.51 67 28.0173 0.26 7 29.0122 2.07 55 29.9865 0.02 1 31.0027 0.23 6 35.9900 0.02 1 36.2493 0.01 0 36.9890 0.25 7 38.0022 0.68 18 38.7445 0.01 0 39.0011 5.54 148 39.7469 0.02 1 40.0014 0.89 24 41.0114 10.36 277 41.5201 0.01 0 42.0137 0.29 8 42.4273 0.01 0 43.0021 6.20 166 44.0068 0.11 3 45.0043 0.36 10 47.0459 0.02 1 47.9971 0.02 1 48.5293 0.01 0 49.0107 0.24 6 49.4046 0.01 0 49.9968 2.09 56 51.0017 5.01 134 52.0060 1.95 52 52.5607 0.01 0 53.0105 8.41 225 53.3736 0.02 1 54.0151 0.61 16 54.3484 0.01 0 55.0196 11.70 312 56.0340 0.30 8 56.3128 0.01 0 56.7350 0.01 0 57.0288 4.36 116 57.3947 0.01 0 58.0201 0.07 2 58.5231 0.01 0 59.0149 0.91 24 59.3749 0.01 0 59.9857 0.04 1 61.0159 0.39 10 61.5259 0.01 0 62.0071 1.30 35 62.5335 0.02 1 63.0129 4.24 113 63.4291 0.04 1 64.0174 0.88 23 64.3710 0.04 1 65.0171 7.59 203 65.4149 0.02 1 65.5432 0.01 0 66.0234 2.03 54 66.6224 0.03 1 67.0255 8.17 218 68.0340 0.28 7 69.0266 6.74 180 69.4955 0.04 1 70.0237 0.09 2 70.6337 0.03 1 71.0198 3.00 80 71.4474 0.01 0 72.0382 0.05 1 73.0089 0.11 3 73.6432 0.01 0 74.0088 1.01 27 74.5726 0.01 0 75.0147 1.29 34 75.3238 0.10 3 75.5654 0.04 1 76.0311 0.99 26 77.0272 20.96 560 78.0381 4.65 124 78.4001 0.12 3 79.0449 14.03 375 80.0402 2.42 65 80.3654 0.04 1 81.0512 8.38 224 82.0267 1.35 36 82.4750 0.10 3 82.5857 0.04 1 83.0527 3.02 81 83.6219 0.02 1 84.0210 0.16 4 84.7463 0.02 1 85.0539 4.49 120 85.7156 0.02 1 86.0404 0.52 14 86.6296 0.01 0 87.0387 0.72 19 88.0360 0.42 11 88.4859 0.06 2 89.0545 2.61 70 90.0479 1.03 27 91.0558 37.42 999 91.5051 0.08 2 92.0542 3.70 99 93.0626 12.70 339 94.0605 1.29 34 94.5810 0.18 5 95.0524 14.57 389 96.0479 0.92 25 97.0462 1.91 51 98.0543 0.30 8 98.4849 0.02 1 98.7312 0.02 1 99.0395 0.38 10 99.5476 0.01 0 99.7379 0.02 1 100.0400 0.11 3 100.5432 0.04 1 101.0325 0.74 20 101.3399 0.12 3 102.0395 2.37 63 102.4207 0.11 3 103.0535 7.24 193 103.6170 0.10 3 104.0489 3.18 85 105.0484 30.41 812 106.0520 4.09 109 107.0558 11.62 310 107.5340 0.06 2 108.0476 1.48 40 108.5937 0.05 1 109.0509 6.47 173 109.4533 0.05 1 110.0496 0.56 15 110.5456 0.04 1 111.0486 0.80 21 111.5584 0.10 3 112.0438 0.17 5 113.0344 0.64 17 114.0337 0.92 25 114.3037 0.23 6 115.0368 22.19 592 115.4638 0.17 5 116.0410 7.65 204 117.0452 17.92 478 118.0342 3.86 103 118.5151 0.09 2 119.0471 23.23 620 120.0502 3.58 96 121.0526 9.52 254 121.6806 0.08 2 122.0453 1.12 30 122.4543 0.05 1 123.0437 2.40 64 123.4329 0.06 2 123.7220 0.03 1 124.0256 0.26 7 124.3525 0.04 1 124.6158 0.08 2 125.0595 0.59 16 125.5440 0.19 5 126.0499 1.15 31 127.0538 7.83 209 128.0439 23.23 620 129.0522 21.11 564 130.0556 7.25 194 131.0714 20.32 542 132.0744 4.29 115 133.0821 13.59 363 134.0838 1.89 50 135.0725 7.39 197 136.0746 0.59 16 137.0882 1.83 49 137.6338 0.11 3 138.0665 0.48 13 139.0688 3.48 93 140.0796 1.16 31 141.0911 17.96 479 142.0935 12.45 332 143.1005 19.47 520 144.1082 6.88 184 145.1125 19.34 516 145.5239 0.23 6 146.1166 3.11 83 146.6743 0.16 4 147.1139 11.58 309 147.7314 0.11 3 148.1272 1.63 44 149.1178 3.91 104 150.1030 1.07 29 151.1143 2.31 62 152.0948 7.73 206 153.0964 9.08 242 154.1015 4.54 121 154.6028 0.16 4 155.0974 14.98 400 156.0968 8.09 216 157.1065 17.45 466 158.1060 5.05 135 159.0990 15.73 420 160.0966 2.99 80 161.0966 5.70 152 161.4520 0.17 5 162.0883 1.18 32 163.0922 3.15 84 163.4805 0.11 3 164.0878 1.23 33 165.0839 14.69 392 166.0863 4.72 126 167.0873 10.26 274 168.0897 3.81 102 169.0955 11.26 301 169.5284 0.15 4 170.1038 5.22 139 171.1046 11.39 304 171.6368 0.09 2 172.1019 3.39 91 173.1065 9.30 248 174.1046 1.43 38 175.1191 4.38 117 175.5511 0.12 3 176.0824 1.44 38 177.0897 2.47 66 177.3892 0.37 10 178.0875 7.76 207 179.0907 9.18 245 180.0992 3.81 102 181.1032 9.84 263 182.1076 3.58 96 183.1203 10.50 280 184.1264 3.04 81 184.6366 0.17 5 185.1309 6.68 178 186.1298 1.29 34 186.4921 0.08 2 187.1311 3.09 82 188.1128 0.76 20 189.1168 4.54 121 190.1212 1.64 44 191.1219 5.71 152 192.1289 3.94 105 193.1323 6.75 180 194.1400 2.83 76 194.6120 0.13 3 195.1460 8.47 226 196.1464 3.10 83 197.1581 8.34 223 198.1473 2.21 59 199.1527 4.83 129 200.1504 1.44 38 201.1484 3.58 96 202.1398 3.19 85 203.1404 3.60 96 204.1534 1.57 42 205.1476 4.06 108 206.1721 2.85 76 207.1550 5.18 138 208.1651 2.25 60 209.1675 5.71 152 210.1692 1.62 43 210.5485 0.10 3 211.1812 4.22 113 212.1513 1.33 36 213.1679 4.29 115 213.6427 0.12 3 214.1616 0.80 21 214.5664 0.10 3 215.1626 2.97 79 215.5876 0.15 4 216.1810 2.01 54 217.1875 3.65 97 218.1846 1.32 35 219.1800 3.38 90 220.1767 1.30 35 221.1767 3.64 97 222.2009 1.44 38 223.1893 3.91 104 224.1890 0.92 25 225.2050 2.84 76 226.1801 0.97 26 226.6677 0.10 3 227.1834 1.40 37 228.1479 0.79 21 228.5986 0.06 2 229.1819 1.16 31 229.5935 0.07 2 230.1890 0.93 25 230.4842 0.13 3 231.1792 1.79 48 232.2049 0.82 22 233.1936 2.93 78 234.1915 0.99 26 234.6926 0.13 3 235.1927 2.61 70 235.6295 0.11 3 236.2040 1.02 27 237.2036 2.55 68 238.2134 0.84 22 238.5450 0.08 2 239.2163 1.61 43 239.7229 0.13 3 240.1884 0.32 9 241.2078 1.07 29 242.1973 0.39 10 242.5533 0.06 2 243.2152 1.03 27 244.1839 0.50 13 244.5844 0.12 3 245.1790 1.10 29 245.7995 0.11 3 246.2156 0.77 21 247.1915 1.76 47 248.2219 0.81 22 248.6894 0.11 3 249.2233 2.31 62 250.2330 0.76 20 251.2167 1.97 53 251.7689 0.09 2 252.2347 0.48 13 253.2057 1.21 32 254.2292 0.39 10 255.2106 3.32 89 256.2163 0.33 9 257.2343 1.04 28 257.5968 0.19 5 258.1920 0.59 16 258.5132 0.10 3 259.2123 1.02 27 260.1391 0.33 9 260.6701 0.06 2 261.2091 1.20 32 261.6888 0.13 3 262.2088 0.40 11 263.2167 1.50 40 263.7228 0.07 2 264.2117 0.56 15 264.5081 0.06 2 265.2199 1.39 37 265.7846 0.11 3 266.2142 0.52 14 267.2087 1.25 33 268.2144 0.43 11 269.2303 0.94 25 270.2191 0.87 23 270.6501 0.04 1 271.2192 0.95 25 271.6270 0.05 1 272.2094 0.23 6 273.2169 0.56 15 274.2174 0.51 14 275.2333 0.58 15 276.2089 0.36 10 276.4301 0.11 3 276.6493 0.06 2 277.2392 1.08 29 278.2555 0.27 7 279.2507 0.84 22 280.2481 0.40 11 281.2396 0.66 18 281.6674 0.04 1 282.2163 0.52 14 283.2497 0.99 26 283.8361 0.08 2 284.2499 0.65 17 284.6536 0.04 1 284.8394 0.04 1 285.2199 0.24 6 285.6086 0.03 1 286.2386 0.89 24 287.2584 0.40 11 288.2611 0.18 5 288.5328 0.06 2 289.2559 0.53 14 290.2266 0.16 4 290.5903 0.07 2 291.2479 0.90 24 292.2542 0.29 8 292.7595 0.04 1 293.2940 0.39 10 294.1823 0.20 5 294.5432 0.04 1 294.8271 0.03 1 295.2800 0.57 15 295.7601 0.05 1 296.2393 0.31 8 296.7427 0.04 1 297.2755 0.25 7 298.0005 0.04 1 298.3048 0.14 4 298.8448 0.05 1 299.2877 0.05 1 299.8278 0.04 1 300.2798 0.07 2 300.6470 0.03 1 300.8594 0.01 0 301.2498 0.21 6 302.1147 0.07 2 302.3980 0.04 1 302.5427 0.02 1 303.2822 0.38 10 304.2722 0.15 4 305.2795 0.66 18 305.7514 0.09 2 306.2566 0.43 11 306.7295 0.11 3 307.2904 1.67 45 307.6886 0.07 2 308.2415 0.24 6 308.6427 0.08 2 309.2522 0.63 17 309.6869 0.05 1 310.2924 0.59 16 310.8313 0.04 1 311.2762 0.15 4 311.5097 0.03 1 311.9718 0.03 1 312.4238 0.04 1 313.2661 0.07 2 313.5867 0.05 1 313.9589 0.02 1 314.2681 0.03 1 314.5671 0.07 2 315.3621 0.22 6 315.5601 0.12 3 315.9551 0.06 2 316.3117 0.05 1 316.6502 0.04 1 317.2998 0.43 11 317.8727 0.04 1 318.3295 0.12 3 318.9510 0.07 2 319.3289 0.21 6 319.7443 0.02 1 320.3193 0.20 5 321.2856 0.90 24 322.2894 0.74 20 322.6028 0.11 3 322.8474 0.10 3 323.2761 0.47 13 323.4662 0.23 6 323.7502 0.11 3 324.2032 0.15 4 325.2882 0.18 5 325.6097 0.10 3 326.2033 0.12 3 326.8192 0.13 3 327.6607 0.11 3 328.1523 0.12 3 328.7713 0.13 3 329.2346 0.13 3 329.4460 0.07 2 330.1724 0.17 5 330.4931 0.10 3 331.2782 0.20 5 331.6343 0.10 3 332.3011 0.25 7 333.3131 1.15 31 334.0883 0.06 2 334.4455 0.14 4 334.6297 0.11 3 335.2765 1.24 33 336.3170 1.48 40 336.8474 0.13 3 337.2888 1.74 46 337.7565 0.13 3 338.3072 0.44 12 339.0716 0.09 2 339.8057 0.09 2 347.6205 16.60 443 349.2773 1.00 27 350.2838 1.19 32 351.3723 10.29 275 352.0795 0.18 5 352.5419 0.08 2 353.1521 0.05 1 353.7335 0.02 1 354.0457 0.02 1 354.3702 0.03 1 355.0827 0.02 1 355.3809 0.01 0 355.6710 0.01 0 356.3856 0.04 1 356.5847 0.03 1 357.4470 0.09 2 366.2165 99.97 999 367.9858 4.39 117 368.6212 1.87 50 369.5844 0.65 17 370.3757 0.34 9 371.2135 0.17 5 372.4745 0.14 4 373.0877 0.08 2 //