ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010153
RECORD_TITLE: 5-(2,2,6-TRIMETHYLCYCLOHEXENEYL)-3-METHYL--2,4-PENTADIENYL ACETATE; 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$NAME: 5-(2,2,6-TRIMETHYLCYCLOHEXENEYL)-3-METHYL--2,4-PENTADIENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₆O₂
CH$EXACT_MASS: 262.19328
CH$SMILES: CC(=O)OCC=C(C)C=CC(=C(C)1)C(C)(C)CCC1
CH$IUPAC: InChI=1S/C17H26O2/c1-13(10-12-19-15(3)18)8-9-16-14(2)7-6-11-17(16,4)5/h8-10H,6-7,11-12H2,1-5H3/b9-8+,13-10+
CH$LINK: INCHIKEY HSKLNRJFWBXQNW-PEGOPYGQSA-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$SPLASH: splash10-001l-8900000000-2ace8053c8dcb0a613a2
PK$NUM_PEAK: 79
PK$PEAK: m/z int. rel.int.
  27 4 40
  28 44 440
  29 6 60
  32 0.9 9
  39 6 60
  41 33 330
  43 58 580
  44 0.2 2
  45 6 60
  53 8 80
  55 27 270
  57 0.3 3
  59 2 20
  65 5 50
  67 8 80
  69 2.7 27
  71 2 20
  73 4 40
  77 15 150
  78 3.1 31
  79 13 130
  80 3 30
  81 19 190
  82 0.2 2
  83 8 80
  85 3 30
  91 25 250
  92 0.4 4
  93 15 150
  94 3 30
  95 17 170
  96 0.2 2
  97 3 30
  103 3 30
  105 3 30
  106 0.4 4
  107 16 160
  108 2 20
  109 7 70
  115 0.5 5
  116 2 20
  117 13 130
  118 4 40
  119 5.6 56
  120 11 110
  121 10 100
  122 5 50
  123 0.5 5
  128 3 30
  129 4 40
  130 5 50
  131 3.3 33
  132 25 250
  133 99.99 999
  134 16 160
  135 0.5 5
  137 2 20
  143 3 30
  144 3 30
  145 2.9 29
  146 31 310
  147 10 100
  157 2 20
  158 0.2 2
  159 23 230
  160 4 40
  161 4 40
  172 0.2 2
  173 4 40
  174 2 20
  175 4 40
  187 4.2 42
  188 6 60
  189 2 20
  202 11 110
  203 0.9 9
  247 1 10
  262 8 80
  263 2 20
//