ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010095
RECORD_TITLE: 2,6,10,15,19,23-PENTAMETHYL-2,6,18,22-TETRACOSATETRAEN-10,15-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$NAME: 2,6,10,15,19,23-PENTAMETHYL-2,6,18,22-TETRACOSATETRAEN-10,15-DIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C30H54O2
CH$EXACT_MASS: 446.41238
CH$SMILES: C(C)(O)(CCC=C(C)CCC=C(C)C)CCCCC(C)(O)CCC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C30H54O2/c1-25(2)15-11-17-27(5)19-13-23-29(7,31)21-9-10-22-30(8,32)24-14-20-28(6)18-12-16-26(3)4/h15-16,19-20,31-32H,9-14,17-18,21-24H2,1-8H3/b27-19-,28-20+
CH$LINK: INCHIKEY UJLSKUQXMLFRSK-RIRMOVKSSA-N
AC$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: splash10-0159-9400000000-9a0030372ba943705e1f
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  41 30.82 308
  43 6.74 67
  53 4.19 42
  55 12.53 125
  57 4.23 42
  67 9.59 96
  68 5.34 53
  69 99.99 999
  70 6.27 63
  77 2.41 24
  79 7.08 71
  80 3.95 40
  81 67.92 679
  82 6.99 70
  83 6.94 69
  91 4.86 49
  93 15.05 151
  94 6.8 68
  95 24.23 242
  96 3.25 33
  97 3.25 33
  105 5.65 57
  107 13.49 135
  108 4.98 50
  109 17.84 178
  110 2.65 27
  111 2.54 25
  119 5.19 52
  120 2.42 24
  121 13.38 134
  122 5.95 60
  123 14.07 141
  133 4.3 43
  134 4.11 41
  135 10.5 105
  136 7.16 72
  137 17.08 171
  147 5.1 51
  148 2.71 27
  149 9.26 93
  150 3.13 31
  161 3.92 39
  163 3.37 34
  175 4.42 44
  177 6.36 64
  189 2.46 25
  191 2.94 29
  203 2.84 28
  217 1.6 16
  231 2.77 28
  273 1.17 12
  342 2.13 21
  411 4.59 46
  412 1.15 12
//
