ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004615
RECORD_TITLE: (1E,7E,11E)-1-ACETYL-3,4-EPOXY-4,8,12-TRIMETHYLCYCLOTETRDECATRIENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (1E,7E,11E)-1-ACETYL-3,4-EPOXY-4,8,12-TRIMETHYLCYCLOTETRDECATRIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₈O₂
CH$EXACT_MASS: 288.20893
CH$SMILES: [H]C(C2)=C(C)CCC(C(C)=O)=C([H])C(O1)C(C)(CCC([H])=C(C)C2)1
CH$IUPAC: InChI=1S/C19H28O2/c1-14-7-5-8-15(2)10-11-17(16(3)20)13-18-19(4,21-18)12-6-9-14/h8-9,13,18H,5-7,10-12H2,1-4H3/b14-9+,15-8+,17-13+
CH$LINK: INCHIKEY OOUAMFIGDJHZPY-FFHLZWFVSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0007-9300000000-965af636ae75fda52918
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  18 7.5 75
  28 3.5 35
  29 2.8 28
  41 1.18 12
  43 99.99 999
  53 5.3 53
  55 11 110
  58 0.32 3
  67 16.9 169
  68 14.6 146
  69 16.1 161
  71 0.35 4
  77 4.2 42
  79 8.6 86
  81 18.4 184
  82 0.38 4
  83 3.5 35
  91 6.6 66
  93 14.2 142
  94 0.62 6
  95 99.5 995
  96 14.6 146
  97 6.7 67
  105 0.57 6
  107 12.1 121
  108 5.1 51
  109 19.1 191
  110 0.48 5
  111 3.8 38
  119 6.5 65
  121 10 100
  122 1.41 14
  123 6.2 62
  124 6.7 67
  125 8.1 81
  133 0.38 4
  134 2.8 28
  135 8.8 88
  136 4 40
  137 0.58 6
  145 2.5 25
  147 3.9 39
  148 3.8 38
  149 0.39 4
  150 1.9 19
  151 2 20
  152 1.9 19
  159 0.2 2
  161 3.8 38
  162 4.8 48
  163 4.2 42
  175 0.31 3
  189 1.8 18
  190 1.8 18
  203 1.8 18
  227 0.1 1
  231 1 10
  245 1.3 13
  273 1 10
  288 1.5 15
//