ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010086
RECORD_TITLE: 2,6,10,13,17,21-HEXAMETHYL-11-HENICOSEN-10,13-DIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 2,6,10,13,17,21-HEXAMETHYL-11-HENICOSEN-10,13-DIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C28H56O2
CH$EXACT_MASS: 424.42803
CH$SMILES: C(C(C)CCCC(C)C)CCC(C)(O)C=CC(C)(O)CCCC(C)CCCC(C)C
CH$IUPAC: InChI=1S/C28H56O2/c1-23(2)13-9-15-25(5)17-11-19-27(7,29)21-22-28(8,30)20-12-18-26(6)16-10-14-24(3)4/h21-26,29-30H,9-20H2,1-8H3/b22-21+
CH$LINK: INCHIKEY GMSBGIXDRWRUNO-QURGRASLSA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-066u-9320000000-6a9d026381a66db7528b
PK$NUM_PEAK: 97
PK$PEAK: m/z int. rel.int.
  27 4.81 48
  29 12.15 122
  39 3.25 33
  41 32.07 321
  42 5.79 58
  43 99.99 999
  45 3.66 37
  53 3.08 31
  55 73.01 730
  56 28.25 283
  57 84.3 843
  58 21.55 216
  59 6.59 66
  67 16.03 160
  68 22.34 223
  69 83.22 832
  70 32.43 324
  71 58.29 583
  72 4.59 46
  79 4.12 41
  80 1.81 18
  81 42.48 425
  82 23.28 233
  83 77.03 770
  84 12.42 124
  85 30.81 308
  86 2.38 24
  93 4.73 47
  94 3 30
  95 49.05 491
  96 13.11 131
  97 41.41 414
  98 7.9 79
  99 12.78 128
  107 6.72 67
  108 4.09 41
  109 41.02 410
  110 10.49 105
  111 31.98 320
  112 7.08 71
  113 17.53 175
  121 5.73 57
  122 1.51 15
  123 41.06 411
  124 10.68 107
  125 20.37 204
  126 18.28 183
  127 6.66 67
  129 8.17 82
  135 4.61 46
  137 14.06 141
  138 6.45 65
  139 11.52 115
  140 4.83 48
  141 2.26 23
  143 3.01 30
  149 3.17 32
  151 4.67 47
  163 2.08 21
  165 4.21 42
  166 1.31 13
  177 3.85 39
  179 3.08 31
  180 7.98 80
  181 1.78 18
  182 1.44 14
  183 8.12 81
  193 17.24 172
  194 3.04 30
  195 1.29 13
  196 9.4 94
  197 2.45 25
  198 1.47 15
  199 22.27 223
  200 2.37 24
  207 1.45 15
  208 2.45 25
  211 13.99 140
  212 1.39 14
  223 1.34 13
  225 52.89 529
  226 8.94 89
  233 22.09 221
  234 4.46 45
  239 1.66 17
  249 1.75 18
  251 52.12 521
  252 10.11 101
  253 1.97 20
  265 1.53 15
  267 1.55 16
  269 90.55 906
  270 16.75 168
  362 1.64 16
  388 1.55 16
  391 3.22 32
  409 1.74 17
//
