ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001147
RECORD_TITLE: 2-(3-(3-HYDROXYBUTYL)-2,2-DIMETHYLCYCLOPROPYL)CYCLOPENT-2-ENE-1-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 2-(3-(3-HYDROXYBUTYL)-2,2-DIMETHYLCYCLOPROPYL)CYCLOPENT-2-ENE-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₂O₂
CH$EXACT_MASS: 222.16198
CH$SMILES: CC(O)CCC(C(C)(C)1)C(C(=C2)C(=O)CC2)1
CH$IUPAC: InChI=1S/C14H22O2/c1-9(15)7-8-11-13(14(11,2)3)10-5-4-6-12(10)16/h5,9,11,13,15H,4,6-8H2,1-3H3
CH$LINK: INCHIKEY IOUIEWFXKAZFEN-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-052f-9800000000-04e9f3d9181f631b8df9
PK$NUM_PEAK: 93
PK$PEAK: m/z int. rel.int.
  40 4.7 47
  41 68.6 686
  42 9.3 93
  43 99.99 999
  44 2.4 24
  45 48.2 482
  51 11.4 114
  52 4.3 43
  53 17.6 176
  54 1.6 16
  55 57.6 576
  56 2.7 27
  57 12.1 121
  59 3.9 39
  61 2.4 24
  63 2.4 24
  65 16 160
  66 4.3 43
  67 17.6 176
  68 5.4 54
  69 39.6 396
  70 2 20
  71 8.2 82
  73 3.1 31
  77 41.2 412
  78 11.8 118
  79 36.9 369
  80 5 50
  81 15.7 157
  82 4.7 47
  83 6.3 63
  85 5 50
  91 64.3 643
  92 16.5 165
  93 25.7 257
  94 5 50
  95 16.9 169
  96 9.8 98
  97 9 90
  99 4.7 47
  103 3.1 31
  104 2 20
  105 44.3 443
  106 38.8 388
  107 87.5 875
  108 12.9 129
  109 22.3 223
  111 3.9 39
  115 2.4 24
  117 7.8 78
  118 4.3 43
  119 53.3 533
  120 28.2 282
  121 37.6 376
  122 6.3 63
  123 12.2 122
  124 1.6 16
  125 2 20
  129 3.1 31
  130 1 10
  131 11 110
  132 2 20
  133 34.5 345
  134 12.9 129
  135 19.2 192
  136 7.5 75
  137 13.3 133
  139 1 10
  143 1.6 16
  145 3.1 31
  146 2 20
  147 31.4 314
  148 21.6 216
  149 16.7 167
  150 4.7 47
  151 2.7 27
  161 23.9 239
  162 35.3 353
  163 11.2 112
  164 7.8 78
  165 5 50
  171 2 20
  175 6.7 67
  176 2 20
  177 1.6 16
  179 23.5 235
  180 2.4 24
  189 8.2 82
  203 1 10
  204 9 90
  205 1.6 16
  222 3.5 35
  223 0.5 5
//