ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010096
RECORD_TITLE: 3,7,11,15-TETRAMETHYLHEXADECANE-1,2,3-TRIOL TRIACETATE; 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$NAME: 3,7,11,15-TETRAMETHYLHEXADECANE-1,2,3-TRIOL TRIACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C26H48O6
CH$EXACT_MASS: 456.34509
CH$SMILES: C(C(C)(CCCC(C)CCCC(C)CCCC(C)C)OC(C)=O)(COC(C)=O)OC(C)=O
CH$IUPAC: InChI=1S/C26H48O6/c1-19(2)12-9-13-20(3)14-10-15-21(4)16-11-17-26(8,32-24(7)29)25(31-23(6)28)18-30-22(5)27/h19-21,25H,9-18H2,1-8H3
CH$LINK: INCHIKEY CAXLGZQZIAMUFU-UHFFFAOYSA-N
AC$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: splash10-052f-9200000000-203a1369a83e2071a85b
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  27 2.12 21
  28 1.43 14
  29 7.33 73
  39 1.36 14
  41 22.74 227
  42 3.78 38
  43 99.99 999
  44 2.75 28
  55 31.89 319
  56 13.25 133
  57 61.47 615
  58 3.56 36
  67 4.9 49
  68 5.54 55
  69 36.73 367
  70 13.8 138
  71 49.3 493
  72 3.98 40
  73 1.32 13
  79 1.93 19
  80 3.17 32
  81 15.74 157
  82 6.62 66
  83 30.45 305
  84 13.37 134
  85 27.01 270
  86 8.12 81
  87 70.89 709
  88 7.72 77
  93 46.45 465
  94 3.34 33
  95 15.86 159
  96 4.82 48
  97 28.2 282
  98 9.32 93
  99 10.1 101
  101 2.15 22
  103 1.46 15
  107 1.72 17
  109 12.83 128
  110 4.04 40
  111 27.15 272
  112 4.7 47
  113 6.93 69
  121 5.04 50
  122 1.2 12
  123 8.8 88
  124 2.22 22
  125 12.35 124
  126 5.83 58
  127 6.73 67
  129 3.97 40
  130 15.43 154
  131 1.31 13
  135 2.05 21
  137 6 60
  138 1.93 19
  139 6.95 70
  140 4.09 41
  141 4.09 41
  149 2.08 21
  151 2.67 27
  153 3.34 33
  155 2.44 24
  163 1.38 14
  165 1.32 13
  167 1.38 14
  169 1.45 15
  263 2.46 25
  269 10.3 103
  281 8.41 84
  282 4.59 46
  294 2.1 21
  312 1.32 13
//
