ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009866
RECORD_TITLE: 2-METHYL-4-(2,6,6-TRIMETHYLCYCLOHEXENYL)-2-BUTENAL; 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$NAME: 2-METHYL-4-(2,6,6-TRIMETHYLCYCLOHEXENYL)-2-BUTENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H22O
CH$EXACT_MASS: 206.16707
CH$SMILES: O=CC(C)=CCC(=C(C)1)C(C)(C)CCC1
CH$IUPAC: InChI=1S/C14H22O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h7,10H,5-6,8-9H2,1-4H3/b11-7+
CH$LINK: CAS 3155-71-3
CH$LINK: INCHIKEY FJCQUJKUMKZEMH-YRNVUSSQSA-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$SPLASH: splash10-0abc-7910000000-d245a3a26af1b426d4e0
PK$NUM_PEAK: 101
PK$PEAK: m/z int. rel.int.
  27 13.6 136
  28 2.3 23
  29 20.7 207
  39 20.3 203
  40 3 30
  41 51.8 518
  42 2.8 28
  43 22.6 226
  45 1.3 13
  51 6.1 61
  52 2.7 27
  53 20.8 208
  54 2.6 26
  55 42.3 423
  56 2.8 28
  57 9.7 97
  58 2 20
  63 2 20
  65 12 120
  66 3.5 35
  67 23 230
  68 2.5 25
  69 26.3 263
  70 2.1 21
  71 5 50
  77 23.6 236
  78 5.4 54
  79 26.5 265
  80 8 80
  81 60.5 605
  82 1.87 19
  83 10.7 107
  84 1.6 16
  85 2.2 22
  88 6.7 67
  89 1.3 13
  91 40.3 403
  92 6.8 68
  93 47.2 472
  94 6.8 68
  95 64.6 646
  96 9.5 95
  97 6 60
  103 3.3 33
  104 1.2 12
  105 33.2 332
  106 5.5 55
  107 99.99 999
  108 42.3 423
  109 55.3 553
  110 5.8 58
  111 4.7 47
  115 3.5 35
  116 1.6 16
  117 5.6 56
  118 1.7 17
  119 13.7 137
  120 4.3 43
  121 54.3 543
  122 14.2 142
  123 87.6 876
  124 11 110
  125 1.8 18
  128 1.7 17
  129 2 20
  130 1.5 15
  131 14.8 148
  132 4.2 42
  133 21.5 215
  134 3.6 36
  135 51.8 518
  136 18.8 188
  137 9.8 98
  138 1.3 13
  139 1.3 13
  144 1.5 15
  145 7 70
  146 1.2 12
  147 10.2 102
  148 2.7 27
  149 12.2 122
  150 8.2 82
  151 1.6 16
  158 2.4 24
  159 1.4 14
  161 2.5 25
  162 1.2 12
  163 35.8 358
  164 6.2 62
  165 5.6 56
  166 1.3 13
  173 12.2 122
  174 2 20
  175 1.8 18
  177 4.2 42
  191 83.3 833
  192 12.6 126
  193 1.3 13
  206 98.5 985
  207 17 170
  208 1.6 16
//
