MassBank Record: JP002659



 OCTACOSANE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002659
RECORD_TITLE: OCTACOSANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: OCTACOSANE CH$COMPOUND_CLASS: N/A CH$FORMULA: C28H58 CH$EXACT_MASS: 394.45385 CH$SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC CH$IUPAC: InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
AC$INSTRUMENT: SHIMADZU LKB-9000B AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0abc-9200000000-7294b41f42fa63d08323 PK$NUM_PEAK: 171 PK$PEAK: m/z int. rel.int. 41 21 210 42 7.8 78 43 68.4 684 47 0.6 6 51 1.8 18 52 0.6 6 53 0.2 2 54 0.29 3 55 24.2 242 56 16.8 168 57 99.99 999 58 0.45 5 59 3.2 32 60 2.5 25 63 0.1 1 65 0.08 1 67 5.6 56 68 5 50 69 16.9 169 70 1.08 11 71 71.9 719 72 3.8 38 73 1.9 19 75 0.06 1 77 1.5 15 78 2 20 79 2.5 25 80 0.04 0 81 3.8 38 82 7.7 77 83 14.9 149 84 0.59 6 85 47.1 471 86 4 40 87 1.2 12 89 0.07 1 90 1 10 92 0.8 8 93 2.6 26 94 0.03 0 95 5.4 54 96 3.5 35 97 15.1 151 98 0.42 4 99 15 150 100 2.3 23 102 1.3 13 103 0.13 1 104 1.4 14 105 0.3 3 108 2.5 25 109 0.31 3 110 1.4 14 111 6.3 63 112 4.5 45 113 1.12 11 114 1.2 12 115 0.1 1 116 1.5 15 119 0.21 2 120 0.7 7 121 0.5 5 123 2 20 124 0.12 1 125 1.8 18 126 3.5 35 127 8 80 128 0.04 0 129 0.7 7 130 1.3 13 132 1.5 15 134 0.02 0 135 4.2 42 137 1.7 17 141 7.4 74 142 0.14 1 145 2.1 21 147 5.9 59 148 1.8 18 149 1.85 19 150 4.1 41 151 2.2 22 152 2.6 26 153 0.19 2 154 3.2 32 155 2.2 22 156 4.1 41 157 0.03 0 159 0.1 1 163 0.3 3 165 4.4 44 166 0.02 0 168 1.9 19 169 1.5 15 170 1.5 15 175 0.1 1 177 1 10 178 0.4 4 179 1.3 13 180 0.22 2 181 0.9 9 182 1.4 14 183 3.2 32 184 0.1 1 187 4.3 43 188 1.8 18 189 0.1 1 191 0.07 1 192 0.4 4 193 1 10 194 1.5 15 196 0.11 1 197 6 60 198 0.9 9 206 0.2 2 209 0.25 3 210 0.4 4 211 2.2 22 212 1.2 12 217 0.04 0 218 3.7 37 219 1.1 11 221 2.5 25 222 1.4 14 224 1.5 15 225 2.6 26 238 1.4 14 239 0.12 1 240 1.1 11 249 1.8 18 251 1.2 12 252 0.02 0 253 0.8 8 254 0.8 8 255 1.1 11 259 0.17 2 269 0.3 3 270 1.6 16 271 0.3 3 280 0.11 1 282 0.2 2 283 0.6 6 295 1.6 16 309 0.15 2 310 1.2 12 313 1.3 13 314 0.5 5 315 0.09 1 316 1.8 18 317 0.1 1 323 1.2 12 327 0.17 2 329 0.5 5 337 1.3 13 352 3.1 31 343 0.11 1 354 1.3 13 355 4.8 48 372 2.4 24 373 0.49 5 374 1.2 12 375 1.9 19 376 1.3 13 377 0.21 2 378 1.3 13 388 3.1 31 389 5.8 58 390 0.32 3 391 1.1 11 392 5.8 58 394 2.7 27 //