ACCESSION: MSBNK-RIKEN-PR010089
RECORD_TITLE: (+-)-alpha-Tocopherol; GC-EI-TOF; MS; 1 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: (+-)-alpha-Tocopherol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₂₉H₅₀O₂
CH$EXACT_MASS: 430.38108
CH$SMILES: O(C(CCCC(C)CCCC(C)CCCC(C)C)1C)c(c(C)2)c(c(C)c(O)c2C)CC1
CH$IUPAC: InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
CH$LINK: CAS 10191-41-0
CH$LINK: NIKKAJI J24.789H
CH$LINK: INCHIKEY GVJHHUAWPYXKBD-IEOSBIPESA-N
CH$LINK: COMPTOX DTXSID0026339

AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: RETENTION_INDEX 3152.8
AC$CHROMATOGRAPHY: RETENTION_TIME 676.867 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C32H58O2Si
MS$FOCUSED_ION: DERIVATIVE_MASS 502.42061
MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00dr-9150010000-c4abc0e689e9b2476b9d
PK$NUM_PEAK: 183
PK$PEAK: m/z int. rel.int.
  60 2 2
  61 4 4
  62 1 1
  63 2 2
  65 6 6
  66 1 1
  67 21 21
  69 29 29
  70 9 9
  71 82 82
  72 7 7
  73 999 999
  74 82 82
  75 61 61
  76 5 5
  77 14 14
  78 3 3
  79 10 10
  80 1 1
  81 31 31
  82 3 3
  83 21 21
  84 2 2
  85 14 14
  86 1 1
  87 1 1
  88 1 1
  89 2 2
  91 19 19
  92 2 2
  93 6 6
  94 1 1
  95 16 16
  96 2 2
  97 12 12
  98 1 1
  99 3 3
  102 1 1
  103 7 7
  104 2 2
  105 11 11
  106 1 1
  107 6 6
  108 1 1
  109 8 8
  110 1 1
  111 6 6
  113 1 1
  115 7 7
  116 2 2
  117 9 9
  118 2 2
  119 23 23
  120 3 3
  121 6 6
  122 1 1
  123 3 3
  124 1 1
  125 1 1
  127 2 2
  128 5 5
  129 5 5
  130 2 2
  131 8 8
  132 1 1
  133 7 7
  134 3 3
  135 7 7
  136 4 4
  137 2 2
  139 1 1
  141 2 2
  142 2 2
  143 3 3
  144 2 2
  145 6 6
  146 1 1
  147 4 4
  148 3 3
  149 10 10
  150 1 1
  151 1 1
  153 1 1
  155 1 1
  157 2 2
  158 1 1
  159 9 9
  160 2 2
  161 5 5
  162 1 1
  163 8 8
  164 3 3
  165 9 9
  166 1 1
  169 1 1
  171 2 2
  172 1 1
  173 4 4
  174 1 1
  175 4 4
  176 2 2
  177 11 11
  178 4 4
  179 5 5
  180 1 1
  181 1 1
  185 1 1
  186 1 1
  187 5 5
  188 1 1
  189 5 5
  190 1 1
  191 7 7
  192 3 3
  193 20 20
  194 5 5
  195 2 2
  201 2 2
  202 1 1
  203 4 4
  204 3 3
  205 7 7
  206 4 4
  207 12 12
  208 29 29
  209 12 12
  210 3 3
  211 1 1
  215 1 1
  216 1 1
  217 2 2
  218 2 2
  219 5 5
  220 5 5
  221 28 28
  222 9 9
  223 24 24
  224 8 8
  225 3 3
  229 1 1
  230 1 1
  231 2 2
  232 1 1
  233 5 5
  234 5 5
  235 8 8
  236 197 197
  237 340 340
  238 73 73
  239 19 19
  240 2 2
  244 1 1
  245 2 2
  246 1 1
  247 5 5
  248 3 3
  249 6 6
  250 2 2
  251 1 1
  259 1 1
  260 1 1
  261 5 5
  262 6 6
  263 4 4
  264 1 1
  275 6 6
  276 2 2
  277 24 24
  278 5 5
  279 1 1
  332 1 1
  346 1 1
  360 1 1
  361 1 1
  374 1 1
  416 1 1
  500 2 2
  501 20 20
  502 118 118
  503 61 61
  504 20 20
  505 5 5
  506 1 1
//