ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008019
RECORD_TITLE: 6-(3-OXO-4-PENTENYL)-3,5,5,TRIMETHYL-2-CYCLOHEXEN-1-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 6-(3-OXO-4-PENTENYL)-3,5,5,TRIMETHYL-2-CYCLOHEXEN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₀O₂
CH$EXACT_MASS: 220.14633
CH$SMILES: C=CC(=O)CCC(C(=O)1)C(C)(C)CC(C)=C1
CH$IUPAC: InChI=1S/C14H20O2/c1-5-11(15)6-7-12-13(16)8-10(2)9-14(12,3)4/h5,8,12H,1,6-7,9H2,2-4H3
CH$LINK: INCHIKEY HYRPKMBIQXSAKW-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-05ar-9500000000-35fb0cde09918f8f850b
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  31 2.16 22
  39 29.94 299
  40 2.48 25
  41 41.37 414
  43 12.73 127
  52 3.45 35
  53 13.64 136
  54 1.79 18
  55 81.03 810
  56 5.02 50
  57 5.76 58
  65 7.74 77
  66 2.78 28
  67 13.46 135
  68 5.57 56
  69 1.23 12
  70 8.47 85
  77 14.82 148
  78 3.48 35
  79 10.72 107
  80 3.23 32
  81 10.6 106
  82 99.99 999
  83 39.06 391
  84 2.39 24
  91 14.61 146
  92 2.33 23
  93 0.43 4
  94 4.58 46
  95 18.08 181
  96 4.44 44
  97 2.25 23
  105 6.98 70
  107 8.77 88
  108 4.96 50
  109 10.96 110
  110 3.47 35
  122 2.62 26
  123 97.57 976
  124 8.04 80
  135 74.7 747
  136 10.32 103
  137 6.07 61
  138 15.28 153
  150 3.12 31
  151 11.11 111
  165 3.97 40
  177 5.02 50
  191 2.69 27
  205 27.57 276
  206 3.3 33
  220 6.78 68
  221 1.35 14
//