MassBank Record: CA000011



 10'-Apozeaxanthinal; FAB-EBEB; MS2; m/z: 392.27; [M]+* 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: CA000011
RECORD_TITLE: 10'-Apozeaxanthinal; FAB-EBEB; MS2; m/z: 392.27; [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] CA000011.jpg

CH$NAME: 10'-Apozeaxanthinal CH$COMPOUND_CLASS: N/A CH$FORMULA: C27H36O2 CH$EXACT_MASS: 392.27153 CH$SMILES: C(=C1C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=O)(C)CC(O)CC1(C)C CH$IUPAC: InChI=1S/C27H36O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-18,25,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+/t25-/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$FOCUSED_ION: BASE_PEAK 91.0541 MS$FOCUSED_ION: PRECURSOR_M/Z 392.27 MS$FOCUSED_ION: PRECURSOR_TYPE [M]+* MS$DATA_PROCESSING: RELATIVE_M/Z normalised by peak(m/z=91.0541). set 999 for peak(m/z=392.2624,rel=4865).
PK$SPLASH: splash10-0006-2923000000-95a06c9d61bfe714179e PK$NUM_PEAK: 574 PK$PEAK: m/z int. rel.int. 13.0099 0.03 1 14.0147 0.04 2 15.0223 0.17 8 22.8240 0.01 0 23.9850 0.01 0 24.9894 0.05 2 26.0146 0.21 10 26.4021 0.01 0 27.0157 1.18 57 28.0218 0.09 4 29.0186 0.98 48 29.9661 0.01 0 31.0055 0.12 6 35.9631 0.02 1 36.6787 0.01 0 36.9997 0.10 5 37.4211 0.01 0 37.9998 0.35 17 38.4699 0.01 0 39.0009 2.52 123 39.3638 0.01 0 39.5714 0.01 0 39.7626 0.01 0 40.0075 0.22 11 41.0131 3.97 193 42.0051 0.11 5 42.9993 2.38 116 44.0308 0.08 4 44.9961 0.13 6 45.9659 0.01 0 48.0399 0.01 0 48.6279 0.01 0 48.9776 0.14 7 49.9967 1.04 51 50.3472 0.02 1 51.0005 2.53 123 52.0064 0.92 45 52.4611 0.01 0 52.6194 0.01 0 53.0092 3.72 181 54.0053 0.19 9 54.6832 0.01 0 55.0160 6.14 299 56.0171 0.14 7 57.0274 2.75 134 57.5281 0.02 1 58.0208 0.08 4 58.3148 0.01 0 59.0153 0.43 21 59.9482 0.01 0 60.2681 0.01 0 61.0089 0.18 9 61.6922 0.01 0 62.0088 0.69 34 62.4500 0.02 1 63.0085 2.04 99 63.6045 0.01 0 64.0106 0.57 28 65.0132 3.76 183 65.4704 0.01 0 66.0253 0.68 33 66.5560 0.01 0 67.0271 3.75 182 68.0137 0.22 11 69.0212 3.30 161 69.4358 0.02 1 69.7264 0.01 0 70.0199 0.14 7 70.5093 0.01 0 71.0258 1.32 64 72.0025 0.12 6 73.0192 0.06 3 73.5410 0.01 0 74.0065 0.52 25 74.3208 0.01 0 75.0238 0.79 38 76.0224 0.47 23 77.0252 11.23 546 78.0303 2.58 126 78.4953 0.05 2 79.0387 8.61 419 79.6666 0.03 1 80.0410 1.12 54 80.5313 0.03 1 81.0436 6.32 308 81.5209 0.02 1 82.0258 0.35 17 82.3028 0.02 1 82.5285 0.08 4 83.0542 1.72 84 83.5513 0.01 0 84.0349 0.15 7 85.0457 2.49 121 85.5184 0.02 1 86.0207 0.26 13 87.0494 0.50 24 87.5715 0.02 1 88.0346 0.20 10 88.4792 0.03 1 89.0481 1.47 72 89.4414 0.08 4 90.0664 0.54 26 91.0541 20.53 999 91.5305 0.04 2 92.0577 1.97 96 93.0593 8.20 399 94.0529 0.64 31 94.5833 0.06 3 95.0510 7.46 363 96.0401 0.43 21 96.5789 0.04 2 97.0538 0.65 32 97.5733 0.04 2 98.0440 0.14 7 98.4537 0.02 1 99.0231 0.15 7 99.3113 0.02 1 99.5410 0.01 0 100.0246 0.04 2 101.0412 0.38 18 102.0446 1.27 62 103.0553 4.11 200 103.5955 0.04 2 104.0393 1.73 84 105.0508 19.25 937 106.0568 2.15 105 106.5690 0.06 3 107.0543 5.76 280 107.5050 0.11 5 108.0386 0.86 42 108.5297 0.05 2 109.0513 3.10 151 109.4495 0.04 2 109.6219 0.02 1 110.0291 0.23 11 110.5019 0.08 4 111.0462 0.43 21 111.5664 0.02 1 112.0381 0.09 4 113.0722 0.30 15 114.0684 0.47 23 115.0362 12.41 604 116.0306 3.93 191 117.0437 8.92 434 117.4907 0.07 3 118.0422 1.98 96 119.0466 13.19 642 119.5349 0.12 6 120.0481 2.14 104 121.0506 5.48 267 121.4630 0.07 3 122.0327 0.62 30 122.3332 0.05 2 123.0461 1.17 57 123.3874 0.05 2 123.6852 0.05 2 124.0515 0.18 9 124.5407 0.05 2 125.0747 0.31 15 126.0444 0.68 33 127.0446 4.16 202 128.0418 13.49 656 129.0459 13.59 661 130.0528 4.42 215 131.0546 10.31 502 131.5149 0.08 4 132.0582 2.14 104 132.3713 0.09 4 133.0686 7.75 377 134.0839 0.97 47 135.0700 3.34 163 135.6268 0.05 2 136.0429 0.44 21 136.3480 0.06 3 137.0755 0.98 48 138.0369 0.32 16 138.5839 0.05 2 139.0661 1.86 91 139.4200 0.05 2 140.0860 0.68 33 141.0746 10.71 521 142.0800 8.49 413 143.0921 11.52 561 143.5598 0.09 4 144.0949 3.93 191 145.0984 11.95 581 146.0995 1.52 74 146.4270 0.11 5 147.1134 3.97 193 147.5853 0.06 3 148.1008 0.55 27 149.0827 2.69 131 149.5209 0.05 2 150.0680 1.30 63 151.1010 1.66 81 152.0943 4.53 220 153.0984 5.86 285 153.5482 0.09 4 154.1081 2.63 128 154.5763 0.08 4 155.1032 8.63 420 156.1080 4.95 241 157.1094 10.96 533 158.1134 2.78 135 159.1058 7.78 379 160.0947 1.11 54 161.1034 2.43 118 161.5279 0.09 4 162.0984 0.44 21 162.4522 0.08 4 163.0930 1.16 56 164.1013 0.79 38 165.0776 8.79 428 166.0859 3.11 151 167.0764 6.49 316 168.0807 2.68 130 168.5525 0.07 3 169.0956 7.25 353 170.0937 2.58 126 171.1015 5.79 282 172.0975 1.53 74 172.5264 0.09 4 173.1144 4.11 200 174.0899 0.65 32 174.3642 0.09 4 175.1200 2.19 107 175.5852 0.11 5 176.0801 0.96 47 177.0866 1.47 72 178.0751 4.82 235 179.0845 6.05 294 179.4739 0.09 4 180.0943 2.06 100 181.0944 5.88 286 181.5731 0.08 4 182.0938 2.34 114 182.4663 0.11 5 183.1049 5.95 290 184.1042 1.66 81 185.1059 3.75 182 186.0957 0.89 43 186.4688 0.06 3 187.1218 1.83 89 188.1227 0.76 37 189.1065 3.21 156 189.5405 0.12 6 190.1173 0.88 43 191.1070 3.14 153 192.1166 2.16 105 193.1163 4.60 224 194.1255 2.26 110 195.1331 5.18 252 196.1493 1.44 70 197.1463 4.80 234 198.1324 1.01 49 199.1496 2.76 134 200.1446 0.61 30 201.1635 1.54 75 202.1301 2.17 106 203.1283 2.19 107 203.5605 0.05 2 204.1504 0.92 45 204.6435 0.07 3 205.1368 2.09 102 206.1441 1.56 76 207.1425 2.91 142 207.5393 0.09 4 208.1587 1.55 75 209.1577 3.69 180 209.7579 0.03 1 210.1890 0.92 45 211.1680 2.01 98 212.1772 0.61 30 212.5106 0.10 5 213.1620 1.51 73 214.1077 0.34 17 215.1426 2.15 105 216.1447 1.06 52 217.1647 2.36 115 218.1477 0.95 46 218.6543 0.13 6 219.1693 2.28 111 220.1684 0.82 40 220.5201 0.07 3 221.1812 2.37 115 222.1684 0.81 39 223.1900 2.49 121 223.6449 0.09 4 224.1783 0.65 32 225.2051 1.52 74 226.1535 0.78 38 227.1890 0.96 47 227.5791 0.10 5 228.1679 0.85 41 228.4980 0.10 5 229.1667 1.25 61 230.1637 0.81 39 230.5934 0.09 4 231.1836 1.33 65 231.5638 0.07 3 231.7554 0.05 2 232.1987 0.68 33 232.6939 0.05 2 233.2006 1.47 72 234.1933 0.55 27 234.5913 0.10 5 235.2070 1.34 65 236.2055 0.48 23 236.5279 0.04 2 237.1948 1.22 59 237.7538 0.06 3 238.1936 0.46 22 239.1794 1.40 68 240.1424 0.46 22 241.1917 0.85 41 241.6604 0.05 2 242.2008 0.45 22 243.1790 1.03 50 243.7019 0.06 3 244.1926 0.35 17 244.6980 0.05 2 245.1920 1.03 50 246.1760 0.48 23 246.5549 0.06 3 247.1913 1.38 67 248.1872 0.57 28 248.7179 0.02 1 249.2081 1.11 54 250.1743 0.45 22 250.5815 0.02 1 251.2351 0.75 36 252.2002 0.42 20 253.2236 0.67 33 253.7966 0.02 1 254.1911 0.29 14 254.5576 0.05 2 255.2066 0.74 36 255.7809 0.04 2 256.1921 0.36 18 256.6637 0.05 2 257.2018 0.84 41 257.7056 0.06 3 258.2116 0.46 22 259.2102 0.87 42 260.1902 0.33 16 260.4906 0.06 3 261.1975 0.85 41 261.5977 0.05 2 262.2278 0.29 14 262.5845 0.06 3 263.2167 0.98 48 264.1850 0.26 13 265.2596 0.56 27 266.1575 0.18 9 266.7277 0.04 2 267.2022 0.73 36 267.5706 0.08 4 268.2159 0.19 9 269.2173 0.78 38 269.7233 0.04 2 270.2304 0.37 18 271.2238 0.77 37 272.2267 0.32 16 272.7684 0.06 3 273.1778 0.58 28 273.6258 0.02 1 274.1978 0.24 12 274.5510 0.03 1 275.2033 0.49 24 276.1798 0.23 11 276.4174 0.10 5 277.2304 0.47 23 277.7413 0.05 2 278.2542 0.31 15 278.6149 0.14 7 279.1926 0.38 18 280.2072 0.18 9 280.7152 0.04 2 281.2023 0.27 13 281.5757 0.04 2 282.2350 0.48 23 283.2303 0.54 26 283.4797 0.17 8 283.6372 0.05 2 284.2341 0.56 27 285.2402 0.36 18 285.7328 0.05 2 286.2192 0.20 10 286.3863 0.09 4 286.6984 0.03 1 287.2193 0.44 21 288.2007 0.18 9 288.5397 0.03 1 289.2516 0.37 18 289.6144 0.06 3 290.1982 0.10 5 290.7018 0.03 1 291.2232 0.30 15 291.5986 0.05 2 291.8374 0.01 0 292.2139 0.16 8 292.5830 0.03 1 293.2120 0.32 16 293.5447 0.04 2 293.8023 0.03 1 294.2895 0.24 12 295.2629 0.28 14 296.2426 0.19 9 296.7414 0.05 2 297.2663 0.32 16 297.5418 0.07 3 297.8080 0.01 0 298.2171 0.10 5 298.4238 0.07 3 298.6158 0.03 1 299.2589 0.25 12 299.8455 0.03 1 300.2558 0.78 38 301.2477 0.28 14 301.5213 0.08 4 301.6998 0.02 1 302.2617 0.18 9 302.8036 0.04 2 303.2611 0.31 15 303.5870 0.05 2 304.2314 0.17 8 304.6848 0.03 1 305.2635 0.26 13 306.2320 0.08 4 307.2780 0.34 17 307.6688 0.03 1 308.2592 0.25 12 308.8602 0.05 2 309.2762 0.23 11 310.2273 0.12 6 310.6988 0.04 2 310.8807 0.02 1 311.2503 0.12 6 312.2764 0.37 18 312.7890 0.02 1 313.2703 0.89 43 313.6733 0.03 1 314.2726 0.15 7 314.7144 0.01 0 315.3138 0.20 10 316.2140 0.07 3 316.5889 0.01 0 316.8145 0.01 0 317.3337 0.23 11 317.9071 0.06 3 318.3187 0.14 7 319.3300 0.19 9 319.7009 0.03 1 320.2714 0.08 4 320.4261 0.04 2 320.7688 0.02 1 321.2589 0.13 6 321.8076 0.03 1 322.2047 0.06 3 322.5423 0.03 1 323.1585 0.06 3 323.3620 0.05 2 324.2494 0.04 2 325.2517 0.07 3 325.6860 0.01 0 326.0244 0.02 1 326.2593 0.04 2 326.4723 0.01 0 326.9422 0.04 2 327.3756 0.05 2 327.6858 0.04 2 327.9647 0.04 2 328.2278 0.03 1 328.6884 0.04 2 329.2880 0.22 11 329.9252 0.03 1 330.3096 0.03 1 331.2708 0.27 13 331.5226 0.05 2 331.8287 0.01 0 332.3344 0.12 6 333.3218 0.61 30 333.7064 0.07 3 334.2248 0.18 9 335.2417 0.30 15 336.2608 0.19 9 336.6925 0.06 3 337.2528 0.42 20 337.7013 0.04 2 337.9721 0.06 3 338.2292 0.10 5 338.4749 0.05 2 338.6820 0.01 0 339.2403 0.05 2 339.5979 0.03 1 339.9064 0.03 1 340.2786 0.04 2 340.6739 0.03 1 341.2993 0.03 1 341.8975 0.03 1 342.2960 0.09 4 342.6547 0.02 1 343.1400 0.12 6 343.3681 0.07 3 343.9214 0.04 2 344.2928 0.13 6 344.8012 0.05 2 345.3222 0.17 8 345.6528 0.03 1 346.2387 0.11 5 346.5673 0.06 3 346.7859 0.03 1 347.3029 0.45 22 347.8564 0.06 3 348.3210 0.26 13 348.6768 0.06 3 349.3121 0.22 11 350.3028 0.22 11 350.7218 0.06 3 351.1178 0.07 3 351.3884 0.07 3 351.7123 0.09 4 351.9913 0.07 3 352.1501 0.03 1 352.4595 0.03 1 352.9872 0.08 4 353.2307 0.05 2 353.5986 0.09 4 354.0386 0.08 4 354.3302 0.08 4 355.2197 0.19 9 355.6399 0.13 6 356.1615 0.14 7 356.6026 0.18 9 357.3166 0.17 8 358.0098 0.15 7 358.7029 0.17 8 359.3387 0.43 21 359.7977 0.07 3 360.1114 0.18 9 360.2787 0.09 4 361.2732 0.46 22 362.3107 0.91 44 363.3127 1.94 94 363.7892 0.09 4 364.3188 0.30 15 364.6866 0.05 2 365.2936 0.05 2 365.7512 0.04 2 366.0981 0.03 1 366.7501 0.10 5 373.5722 6.83 332 375.3590 0.67 33 376.2175 0.54 26 377.3814 5.11 249 378.1563 0.04 2 378.5590 0.09 4 378.8518 0.05 2 379.2022 0.04 2 379.4449 0.02 1 379.7691 0.02 1 380.0578 0.03 1 380.2701 0.02 1 380.6237 0.02 1 380.8664 0.02 1 381.1488 0.01 0 382.0390 0.02 1 382.6584 0.06 3 383.1176 0.10 5 384.0279 0.11 5 392.2624 99.97 999 394.1462 3.03 147 394.7984 1.12 54 395.8929 0.38 18 //