MassBank Record: KZ000184



 alpha-Tocopherol; GC-EI-TOF; MS; 1 TMS; BP:237 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000184
RECORD_TITLE: alpha-Tocopherol; GC-EI-TOF; MS; 1 TMS; BP:237
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, 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 //

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