ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003712
RECORD_TITLE: 2-(3-FORMYL)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$NAME: 2-(3-FORMYL)BUTYL-1,3,3-TRIMETHYLCYCLOHEX-1-ENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H24O
CH$EXACT_MASS: 208.18272
CH$SMILES: O=CC(C)CCC(=C(C)1)C(C)(C)CCC1
CH$IUPAC: InChI=1S/C14H24O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h10-11H,5-9H2,1-4H3
CH$LINK: INCHIKEY MXNVWZZDDFIWHW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50888214
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: splash10-05yv-9400000000-2060782af5d2be5b7c23
PK$NUM_PEAK: 105
PK$PEAK: m/z int. rel.int.
  15 1.1 11
  17 1.5 15
  18 4.5 45
  26 0.15 2
  27 25.2 252
  28 12.2 122
  29 42.8 428
  30 0.14 1
  31 2.5 25
  32 2.2 22
  39 26.3 263
  40 0.51 5
  41 94.8 948
  42 9.8 98
  43 41.5 415
  44 0.17 2
  45 1.7 17
  50 1.1 11
  51 5 50
  52 0.29 3
  53 24.3 243
  54 3.5 35
  55 58.4 584
  56 1.17 12
  57 24.6 246
  58 2.2 22
  59 1.1 11
  63 0.17 2
  64 1.1 11
  65 11.5 115
  66 4.3 43
  67 3.83 38
  68 21 210
  69 79.7 797
  70 7.1 71
  71 1.29 13
  77 40.5 405
  78 9 90
  79 71.2 712
  80 0.68 7
  81 83.6 836
  82 18.7 187
  83 11.7 117
  84 0.07 1
  85 4.1 41
  86 2.2 22
  91 28.5 285
  92 0.05 1
  93 34.6 346
  94 30.2 302
  95 89.8 898
  96 1.14 11
  97 6 60
  98 2.8 28
  99 1.7 17
  103 0.23 2
  104 1.1 11
  105 23.8 238
  106 4.4 44
  107 4.59 46
  108 7.9 79
  109 42.4 424
  110 7.8 78
  111 0.84 8
  112 1.9 19
  113 1.1 11
  115 1.7 17
  116 0.11 1
  117 1.8 18
  119 24.6 246
  120 4.5 45
  121 1.88 19
  122 9.9 99
  123 99.99 999
  124 14.5 145
  125 1.77 18
  126 2.2 22
  131 1.1 11
  133 11.9 119
  134 0.44 4
  135 59.8 598
  136 8.4 84
  137 15.9 159
  138 0.64 6
  139 3.7 37
  147 6.2 62
  148 1.4 14
  149 0.56 6
  150 40.5 405
  151 7.5 75
  152 10.6 106
  153 0.17 2
  161 2 20
  162 1.1 11
  163 1.1 11
  165 0.52 5
  166 1.1 11
  175 31.3 313
  176 4.6 46
  179 0.14 1
  190 3.9 39
  193 25.2 252
  194 3.9 39
  208 2.94 29
  209 4.6 46
//
