MassBank Record: CA000173



 (+)-gamma-Tocopherol; EI-EBEB; MS; POS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: CA000173
RECORD_TITLE: (+)-gamma-Tocopherol; EI-EBEB; MS; POS
DATE: 2016.01.19 (2007.03.15, 2011.05.10)
AUTHORS: Akimoto NGraduate School of Pharmaceutical Sciences, Kyoto University and Maoka T, Research Institute for Production Development, Graduate School of Pharmaceutical Sciences, Kyoto University and Maoka T, Research Institute for Production Development
LICENSE: CC BY-SA
COMMENT: Profile spectrum of this record is given as a JPEG file.
COMMENT: [Profile] CA000173.jpg

CH$NAME: gamma-Tocopherol CH$NAME: (+)-gamma-Tocopherol CH$COMPOUND_CLASS: Natural Product; Lipid; Tocopherol CH$FORMULA: C28H48O2 CH$EXACT_MASS: 416.36543 CH$SMILES: [C@H](CCC[C@@](C2)(C)Oc(c(C2)1)c(C)c(C)c(O)c1)(C)CCC[C@H](C)CCCC(C)C CH$IUPAC: InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1 CH$LINK: CHEBI 298402 CH$LINK: CHEMSPIDER 14266 CH$LINK: KEGG D02332 CH$LINK: PUBCHEM 14986 CH$LINK: INCHIKEY QUEDXNHFTDJVIY-DQCZWYHMSA-N
AC$INSTRUMENT: JMS-HX/HX 110A, JEOL AC$INSTRUMENT_TYPE: EI-EBEB AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION EI
MS$FOCUSED_ION: BASE_PEAK 416.5011
PK$SPLASH: splash10-0gb9-2900500000-756c5b8975a2fd7b7edc PK$NUM_PEAK: 228 PK$PEAK: m/z int. rel.int. 15.0069 0.05 0 25.9927 0.10 1 26.9982 0.80 8 28.0056 0.13 1 29.0089 1.10 11 30.9793 0.01 0 36.9797 0.06 1 37.9932 0.19 2 38.9975 1.76 18 40.0015 0.27 3 41.0100 3.71 37 42.0161 0.44 4 43.0201 7.51 75 45.0095 0.03 0 48.9890 0.03 0 49.9980 0.24 2 51.0020 0.62 6 52.0074 0.31 3 53.0101 1.27 13 54.0231 0.34 3 55.0294 5.18 52 56.0384 0.76 8 57.0469 5.40 54 58.0163 0.04 0 60.9952 0.03 0 61.9996 0.09 1 63.0085 0.34 3 64.0086 0.10 1 65.0206 0.70 7 66.0110 0.29 3 67.0132 1.76 18 68.0243 0.40 4 69.0356 3.20 32 70.0500 0.29 3 71.0555 2.48 25 74.0017 0.06 1 75.0014 0.09 1 76.0105 0.08 1 77.0192 1.70 17 78.0205 0.38 4 79.0301 1.24 12 80.0261 0.21 2 81.0404 1.35 13 82.0350 0.14 1 83.0468 1.45 14 84.0597 0.04 0 85.0748 0.86 9 86.0132 0.01 0 87.0242 0.03 0 88.0053 0.03 0 89.0337 0.21 2 90.0357 0.10 1 91.0456 1.82 18 92.0451 0.12 1 93.0607 0.64 6 94.0381 0.17 2 95.0633 1.00 10 95.5499 0.04 0 96.0255 0.09 1 97.0788 0.72 7 98.0720 0.02 0 99.0815 0.03 0 101.0087 0.03 0 102.0319 0.10 1 103.0472 0.45 4 104.0371 0.15 1 105.0491 0.81 8 106.0479 0.11 1 107.0335 2.24 22 108.0371 0.45 4 109.0608 0.54 5 109.5418 0.02 0 110.0356 0.06 1 111.0420 0.64 6 112.0318 0.02 0 113.0901 0.03 0 114.0676 0.02 0 115.0326 0.52 5 116.0387 0.11 1 117.0471 0.28 3 118.0280 0.08 1 119.0385 0.50 5 120.0279 0.20 2 121.0332 2.22 22 122.0438 1.83 18 123.0512 0.88 9 124.0161 0.15 1 125.0472 0.16 2 126.0505 0.03 0 127.0442 0.15 1 128.0366 0.30 3 129.0450 0.24 2 130.0446 0.10 1 131.0355 0.45 4 132.0487 0.20 2 133.0403 0.46 5 134.0349 0.31 3 135.0464 3.08 31 136.0320 0.39 4 137.0377 2.49 25 138.0442 1.12 11 139.0569 0.15 1 140.0543 0.02 0 141.0740 0.16 2 142.0870 0.06 1 143.0845 0.14 1 144.0773 0.13 1 145.0785 0.68 7 146.0717 0.19 2 147.0732 0.82 8 148.0667 0.71 7 149.0783 1.47 15 150.0754 15.68 157 151.0851 82.73 827 152.0966 2.53 25 153.1039 0.06 1 154.1366 0.02 0 155.1014 0.07 1 156.1408 0.03 0 157.0960 0.18 2 158.0942 0.25 2 159.1072 0.48 5 160.0826 0.19 2 161.0826 1.34 13 162.0810 1.01 10 163.0865 2.49 25 164.0882 2.32 23 165.0982 1.07 11 166.0868 0.03 0 167.1230 0.02 0 169.0996 0.04 0 170.1386 0.03 0 171.0937 0.17 2 172.1041 0.27 3 173.1095 0.50 5 174.0836 0.45 4 175.0878 3.34 33 176.0914 1.51 15 177.0999 2.55 25 178.0990 0.13 1 179.1206 0.09 1 183.1355 0.03 0 184.1108 0.02 0 185.1297 0.09 1 186.1268 0.09 1 187.1222 0.40 4 188.1158 0.42 4 189.1142 4.71 47 190.1230 1.28 13 191.1333 14.16 142 192.1474 0.16 2 193.1197 0.02 0 198.1457 0.01 0 199.2003 0.04 0 200.2063 0.02 0 201.1694 0.25 2 202.1551 0.13 1 203.1767 0.76 8 204.1831 0.26 3 205.1920 0.99 10 206.1877 0.17 2 213.1928 0.01 0 215.1971 0.09 1 216.1887 0.02 0 217.1682 0.16 2 218.1882 0.14 1 219.1951 0.22 2 220.2123 0.05 0 229.2175 0.02 0 231.2166 0.05 0 232.2003 0.35 3 233.2133 0.11 1 234.2065 0.02 0 243.2549 0.02 0 245.2409 0.04 0 246.2189 0.08 1 247.2598 0.03 0 259.2504 0.03 0 260.2594 0.58 6 261.2653 0.04 0 262.3230 0.02 0 273.2363 0.02 0 274.2615 0.37 4 275.2060 0.03 0 276.2495 0.03 0 287.2955 0.04 0 288.2905 0.53 5 290.3326 0.05 0 301.2523 0.02 0 302.3120 0.86 9 303.3719 0.03 0 304.3034 0.03 0 313.3988 0.01 0 315.3559 0.03 0 316.3521 0.11 1 329.3742 0.03 0 330.3829 1.04 10 332.3401 0.02 0 343.4168 0.02 0 344.3842 0.56 6 345.4072 0.01 0 346.4189 0.04 0 356.4285 0.01 0 358.4338 0.48 5 359.4726 0.04 0 360.4336 0.06 1 363.8570 0.02 0 364.7517 0.02 0 365.3652 0.03 0 366.7379 0.03 0 367.4543 0.02 0 370.5306 0.01 0 372.4431 0.43 4 373.4679 0.34 3 374.4566 0.06 1 383.7133 0.02 0 385.4312 0.03 0 386.4524 0.06 1 387.5541 0.19 2 388.5824 0.02 0 398.5318 0.04 0 399.5258 0.26 3 400.5142 0.87 9 401.5932 0.62 6 402.3674 0.03 0 406.5508 0.03 0 407.2150 0.03 0 416.5011 99.97 999 //