ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006937
RECORD_TITLE: ELEMOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ELEMOL
CH$NAME: 4-ETHENYL-3-(1-METHYLETHENYL)-ALPHA,ALPHA,4-TRIMETHYLCYCLOHEXYLMETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₆O
CH$EXACT_MASS: 222.19837
CH$SMILES: C=CC(C)(C1)C([H])(C(C)=C)CC([H])(C1)C(C)(C)O
CH$IUPAC: InChI=1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13+,15-/m1/s1
CH$LINK: INCHIKEY GFJIQNADMLPFOW-VNHYZAJKSA-N
CH$LINK: COMPTOX DTXSID1052323

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-052f-9400000000-2a2b8eb2d7a95cb7b5c3
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  27 8.3 83
  29 10.79 108
  31 10.8 108
  39 14.32 143
  40 3.23 32
  41 40.27 403
  42 3.12 31
  43 39.02 390
  44 1.04 10
  45 2.31 23
  51 2 20
  52 1.55 16
  53 18.15 182
  54 2.19 22
  55 23.54 235
  56 1.67 17
  57 3.69 37
  59 99.99 999
  60 2.8 28
  65 5.53 55
  66 2.51 25
  67 27.36 274
  68 20.53 205
  69 20.62 206
  70 2.62 26
  71 17.51 175
  72 1.32 13
  77 12.51 125
  78 2.71 27
  79 23.83 238
  80 13.83 138
  81 31.96 320
  82 10.77 108
  83 6.16 62
  84 3.92 39
  85 1.65 17
  91 15.4 154
  92 9.01 90
  93 55.55 556
  94 16.89 169
  95 22.41 224
  96 7.73 77
  97 1.72 17
  105 14.22 142
  106 3.33 33
  107 31.38 314
  108 12.65 127
  109 14.54 145
  110 2.13 21
  111 1.1 11
  119 13.4 134
  120 3.86 39
  121 26.72 267
  122 7.62 76
  123 9.99 100
  124 1.51 15
  133 8.7 87
  134 4.92 49
  135 21.71 217
  136 8.53 85
  137 2.13 21
  147 7.42 74
  148 3.28 33
  149 10.83 108
  150 1.25 13
  161 35.88 359
  162 9.26 93
  163 10.01 100
  164 3.97 40
  175 1.86 19
  189 13.6 136
  190 1.81 18
  204 9.59 96
  205 1.46 15
//