ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004621
RECORD_TITLE: 3-ETHOXY-6-(1-HYDROXY-5-METHYL-4-HEXENYL)-2-CYCLOHEXEN-1-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 3-ETHOXY-6-(1-HYDROXY-5-METHYL-4-HEXENYL)-2-CYCLOHEXEN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24O3
CH$EXACT_MASS: 252.17254
CH$SMILES: CCOC(C1)=CC(=O)C(C1)C(O)CCC=C(C)C
CH$IUPAC: InChI=1S/C15H24O3/c1-4-18-12-8-9-13(15(17)10-12)14(16)7-5-6-11(2)3/h6,10,13-14,16H,4-5,7-9H2,1-3H3
CH$LINK: INCHIKEY CWPPDQUJBNUZSF-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014l-9710000000-dc7953de4510b227dee7
PK$NUM_PEAK: 101
PK$PEAK: m/z int. rel.int.
  17 8.9 89
  18 96.3 963
  28 61.8 618
  29 0.75 8
  32 8.8 88
  39 1.9 19
  40 5 50
  41 3.87 39
  42 7.2 72
  43 33.9 339
  44 2.3 23
  45 0.21 2
  53 4 40
  55 26.3 263
  56 53.5 535
  57 0.76 8
  58 5.1 51
  66 1.8 18
  67 11.5 115
  68 4.38 44
  69 50 500
  70 7.6 76
  71 5.4 54
  73 0.66 7
  75 5.6 56
  77 1.2 12
  79 15.1 151
  80 0.15 2
  81 3.9 39
  82 7 70
  83 3.8 38
  84 5.83 58
  85 6.5 65
  91 1.9 19
  93 3.4 34
  94 3.6 36
  95 19.1 191
  96 10.4 104
  97 14.6 146
  99 0.33 3
  100 1.3 13
  107 1.6 16
  109 7.5 75
  110 1.13 11
  111 10.8 108
  112 65.1 651
  113 10.4 104
  117 0.16 2
  121 1.5 15
  122 1.8 18
  123 6.6 66
  124 0.5 5
  125 2.1 21
  135 1.4 14
  137 4.6 46
  138 2.78 28
  139 15.2 152
  140 99.99 999
  141 21.7 217
  142 0.31 3
  143 1.5 15
  149 3.7 37
  151 1.9 19
  152 0.57 6
  153 8.3 83
  154 1.3 13
  163 2.2 22
  164 0.13 1
  165 4.2 42
  166 55.4 554
  167 9.5 95
  168 0.12 1
  169 56.2 562
  170 7.5 75
  171 1.1 11
  177 0.35 4
  178 2.1 21
  179 3.3 33
  181 1.3 13
  182 0.6 6
  183 2.4 24
  184 1.7 17
  185 3.1 31
  191 0.68 7
  195 2.4 24
  197 1.2 12
  205 1 10
  206 0.1 1
  211 1.7 17
  212 4.9 49
  213 1.2 12
  219 0.21 2
  234 23.1 231
  235 5.5 55
  239 2 20
  241 2.26 23
  242 4.2 42
  243 1 10
  252 17.4 174
  253 0.27 3
  254 1 10
//
