ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003710
RECORD_TITLE: 2-(3-FORMYLOXYMETHYLENE)-BUTYL-1,3,3-TRIMETHYLCYCLOHEX-1-ENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 2-(3-FORMYLOXYMETHYLENE)-BUTYL-1,3,3-TRIMETHYLCYCLOHEX-1-ENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄O₂
CH$EXACT_MASS: 236.17763
CH$SMILES: O=COC=C(C)CCC(=C(C)1)C(C)(C)CCC1
CH$IUPAC: InChI=1S/C15H24O2/c1-12(10-17-11-16)7-8-14-13(2)6-5-9-15(14,3)4/h10-11H,5-9H2,1-4H3/b12-10+
CH$LINK: INCHIKEY MJURCEOLOMHLAX-ZRDIBKRKSA-N
CH$LINK: COMPTOX DTXSID40415058

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000l-9400000000-862984c27ddc7b32637a
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  27 11.8 118
  28 14.7 147
  29 13.5 135
  31 0.12 1
  39 9.6 96
  40 1.9 19
  41 37.6 376
  42 0.56 6
  43 20.8 208
  44 1.1 11
  51 1.9 19
  52 0.11 1
  53 7.8 78
  54 1.1 11
  55 16.3 163
  56 0.87 9
  57 15.9 159
  65 3 30
  66 1.4 14
  67 1.07 11
  68 1.7 17
  69 18.1 181
  70 1.6 16
  71 0.07 1
  77 5.6 56
  78 1.4 14
  79 7.6 76
  80 0.16 2
  81 35.4 354
  82 3.3 33
  83 2.2 22
  84 0.23 2
  86 2 20
  91 6.3 63
  92 1.3 13
  93 0.68 7
  94 2 20
  95 45.1 451
  96 3.9 39
  105 0.37 4
  106 1.1 11
  107 5.5 55
  108 1.7 17
  109 0.76 8
  112 1.1 11
  119 2.8 28
  120 1.3 13
  121 0.53 5
  122 2.6 26
  123 5.4 54
  124 1.5 15
  133 0.15 2
  134 1.5 15
  135 2.1 21
  136 4.9 49
  137 99.99 999
  138 11.5 115
  139 1 10
  147 1.4 14
  150 0.11 1
  175 5.6 56
  176 1.1 11
  190 4.8 48
  191 0.01 0
  208 0.9 9
  221 1 10
  236 9.4 94
  237 1.7 17
//