MassBank Record: PR010089



 (+-)-alpha-Tocopherol; GC-EI-TOF; MS; 1 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //