ACCESSION: MSBNK-Kazusa-KZ000184
RECORD_TITLE: alpha-Tocopherol; GC-EI-TOF; MS; 1 TMS; BP:237
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01702_P000091

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$LINK: CAS 59-02-9
CH$LINK: KEGG C02477
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 3333.2
AC$CHROMATOGRAPHY: RETENTION_TIME 1347.71 sec

MS$FOCUSED_ION: BASE_PEAK 237
MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-000i-1390000000-fc8c4f9b9405598ede7f
PK$NUM_PEAK: 214
PK$PEAK: m/z int. rel.int.
  82 11 11
  83 62 62
  84 10 10
  85 43 43
  86 3 3
  87 3 3
  88 3 3
  89 8 8
  90 1 1
  91 56 56
  92 7 7
  93 18 18
  94 3 3
  95 44 44
  96 7 7
  97 32 32
  98 4 4
  99 8 8
  100 1 1
  101 1 1
  102 2 2
  103 21 21
  104 6 6
  105 33 33
  106 5 5
  107 18 18
  108 4 4
  109 21 21
  110 3 3
  111 20 20
  112 2 2
  113 3 3
  115 21 21
  116 6 6
  117 25 25
  118 6 6
  119 63 63
  120 10 10
  121 18 18
  122 2 2
  123 11 11
  124 3 3
  125 4 4
  126 2 2
  127 5 5
  128 13 13
  129 14 14
  130 6 6
  131 22 22
  132 4 4
  133 21 21
  134 7 7
  135 19 19
  136 12 12
  137 6 6
  138 2 2
  139 2 2
  140 1 1
  141 5 5
  142 4 4
  143 9 9
  144 5 5
  145 16 16
  146 4 4
  147 13 13
  148 8 8
  149 26 26
  150 4 4
  151 4 4
  152 2 2
  153 2 2
  154 1 1
  155 3 3
  156 2 2
  157 6 6
  158 4 4
  159 21 21
  160 4 4
  161 13 13
  162 4 4
  163 19 19
  164 8 8
  165 24 24
  166 4 4
  167 2 2
  168 1 1
  169 2 2
  170 1 1
  171 4 4
  172 4 4
  173 10 10
  174 4 4
  175 11 11
  176 4 4
  177 26 26
  178 10 10
  179 15 15
  180 3 3
  181 2 2
  183 1 1
  185 3 3
  186 3 3
  187 13 13
  188 3 3
  189 14 14
  190 4 4
  191 19 19
  192 9 9
  193 48 48
  194 15 15
  195 6 6
  196 1 1
  197 1 1
  198 1 1
  199 2 2
  200 1 1
  201 5 5
  202 2 2
  203 10 10
  204 8 8
  205 16 16
  206 9 9
  207 31 31
  208 65 65
  209 31 31
  210 9 9
  211 2 2
  213 1 1
  214 1 1
  215 3 3
  216 2 2
  217 6 6
  218 4 4
  219 12 12
  220 12 12
  221 58 58
  222 18 18
  223 50 50
  224 18 18
  225 6 6
  226 2 2
  227 1 1
  228 1 1
  229 3 3
  230 3 3
  231 7 7
  232 4 4
  233 15 15
  234 15 15
  235 24 24
  236 609 609
  237 999 999
  238 224 224
  239 56 56
  240 8 8
  241 1 1
  242 1 1
  243 2 2
  244 3 3
  245 5 5
  246 4 4
  247 15 15
  248 10 10
  249 18 18
  250 6 6
  251 4 4
  257 1 1
  258 1 1
  259 4 4
  260 3 3
  261 17 17
  262 17 17
  263 13 13
  264 2 2
  273 1 1
  274 1 1
  275 21 21
  276 9 9
  277 71 71
  278 16 16
  279 4 4
  289 1 1
  290 1 1
  291 1 1
  304 1 1
  318 1 1
  332 2 2
  333 1 1
  345 1 1
  346 3 3
  347 1 1
  348 1 1
  360 4 4
  361 2 2
  362 1 1
  374 2 2
  375 1 1
  388 2 2
  389 1 1
  390 1 1
  402 1 1
  403 1 1
  413 1 1
  414 1 1
  415 1 1
  416 2 2
  417 1 1
  428 1 1
  430 2 2
  431 1 1
  460 1 1
  487 1 1
  488 1 1
  500 4 4
//