ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010041
RECORD_TITLE: 2,6,11,15-TETRAMETHYL-2,14-HEXADECADIENE-6,9,11-TRIOL-8-ONE; 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$NAME: 2,6,11,15-TETRAMETHYL-2,14-HEXADECADIENE-6,9,11-TRIOL-8-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H36O4
CH$EXACT_MASS: 340.26136
CH$SMILES: CC(C)=CCCC(C)(O)CC(O)C(=O)CC(C)(O)CCC=C(C)C
CH$IUPAC: InChI=1S/C20H36O4/c1-15(2)9-7-11-19(5,23)13-17(21)18(22)14-20(6,24)12-8-10-16(3)4/h9-10,17,21,23-24H,7-8,11-14H2,1-6H3
CH$LINK: INCHIKEY NMPBMQZZQNDZKJ-UHFFFAOYSA-N
AC$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: splash10-05mo-9600000000-bf5ccc50547d47406190
PK$NUM_PEAK: 91
PK$PEAK: m/z int. rel.int.
  27 2.2 22
  28 1.87 19
  29 4.36 44
  31 2.16 22
  39 2.73 27
  41 37.55 376
  42 2.75 28
  43 66 660
  44 2.35 24
  45 4.39 44
  53 4.55 46
  55 20.94 209
  56 3.42 34
  57 5.61 56
  58 4.21 42
  59 5.8 58
  67 10.39 104
  68 6.99 70
  69 99.99 999
  70 13.39 134
  71 33.39 334
  72 6.06 61
  73 3 30
  77 1.63 16
  79 3.74 37
  80 5.82 58
  81 2.75 28
  82 27.78 278
  83 21.92 219
  84 5.6 56
  85 6.09 61
  86 2.64 26
  87 13.12 131
  88 7.57 76
  91 1.94 19
  92 2.51 25
  93 27.66 277
  94 5.29 53
  95 17.18 172
  96 2.95 30
  97 7.45 75
  98 2.11 21
  99 2.58 26
  101 1.65 17
  103 1.65 17
  105 1.79 18
  107 9.92 99
  108 26.15 262
  109 68.69 687
  110 13.41 134
  111 11.91 119
  112 2.51 25
  113 4.09 41
  114 14.25 143
  115 4.27 43
  119 2.42 24
  121 9.77 98
  122 2.32 23
  123 8.03 80
  124 6.08 61
  125 8.82 88
  126 19.54 195
  127 19.98 200
  128 2.35 24
  129 3.91 39
  134 3.55 36
  135 31 310
  136 9.77 98
  137 10.08 101
  138 2.06 21
  139 3.74 37
  140 2.01 20
  143 2.01 20
  149 2.2 22
  151 2.8 28
  152 4.09 41
  153 11.88 119
  154 4.17 42
  155 2.45 25
  165 1.91 19
  169 11.95 120
  170 1.37 14
  171 2.88 29
  213 1.56 16
  237 1.89 19
  239 1.75 18
  240 4.31 43
  255 6.06 61
  322 3.59 36
  340 6.58 66
  341 2.18 22
//
