ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003735
RECORD_TITLE: 1-METHOXYCARBONYL-4-(1,5-DIMETHYL-3-OXOHEX-4-ENYL)-CYCLOHEXENE; 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$NAME: 1-METHOXYCARBONYL-4-(1,5-DIMETHYL-3-OXOHEX-4-ENYL)-CYCLOHEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H24O3
CH$EXACT_MASS: 264.17254
CH$SMILES: COC(=O)C(C1)=C([H])CC(C1)C(C)CC(=O)C=C(C)C
CH$IUPAC: InChI=1S/C16H24O3/c1-11(2)9-15(17)10-12(3)13-5-7-14(8-6-13)16(18)19-4/h7,9,12-13H,5-6,8,10H2,1-4H3
CH$LINK: INCHIKEY DEMNMQDWPCIOLA-UHFFFAOYSA-N
AC$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$SPLASH: splash10-001i-9410000000-33ed47e3c3ad77e294a5
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
  27 6.7 67
  28 2.3 23
  29 13 130
  39 0.9 9
  40 2 20
  41 8.8 88
  42 1 10
  43 0.06 1
  45 1.3 13
  51 2 20
  52 1.3 13
  53 0.85 9
  54 2.7 27
  55 28 280
  56 2 20
  57 0.14 1
  59 5 50
  65 2 20
  66 1 10
  67 0.35 4
  68 1.2 12
  69 3 30
  77 7 70
  78 0.02 0
  79 14 140
  80 2.4 24
  81 3 30
  82 0.26 3
  83 99.99 999
  84 5.7 57
  85 1.5 15
  91 0.57 6
  92 1 10
  93 3.7 37
  95 1.8 18
  97 0.01 0
  98 18.2 182
  99 9.4 94
  105 5.7 57
  106 0.23 2
  107 11.8 118
  108 1.7 17
  109 1.3 13
  111 0.18 2
  121 2 20
  123 1.3 13
  125 17.6 176
  126 0.46 5
  131 3.6 36
  133 2.4 24
  134 27 270
  135 0.11 1
  136 1.8 18
  137 7 70
  138 2 20
  139 0.66 7
  140 1.4 14
  147 1.4 14
  148 1 10
  149 0.55 6
  150 1.8 18
  151 10 100
  152 1.9 19
  161 0.18 2
  163 2 20
  164 2.8 28
  165 2.5 25
  166 0.19 2
  167 3.5 35
  175 0.8 8
  177 1.2 12
  179 0.09 1
  180 0.5 5
  204 4.6 46
  205 3.7 37
  209 0.01 0
  232 12 120
  233 3 30
  234 0.8 8
  246 0.05 1
  247 0.8 8
  249 2.7 27
  264 6.7 67
  265 2.5 25
//
