ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004379
RECORD_TITLE: 3-(3-OXOBUTYL)CYCLOHEX-2-EN-1-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAGIWARA H, CHEM. RES. INST. OF NON-AQUEOUS SOLUTIONS, TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 3-(3-OXOBUTYL)CYCLOHEX-2-EN-1-ONE
CH$NAME: 3-(3-OXOBUTYL)-2-CYCLOHEXENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O2
CH$EXACT_MASS: 166.09938
CH$SMILES: CC(=O)CCC(C1)=CC(=O)CC1
CH$IUPAC: InChI=1S/C10H14O2/c1-8(11)5-6-9-3-2-4-10(12)7-9/h7H,2-6H2,1H3
CH$LINK: INCHIKEY ZBCMIYJESBJOQT-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$SPLASH: splash10-00kf-9200000000-437493a2288e41dac048
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  14 5.7 57
  15 11.45 115
  17 36.77 368
  18 26.64 266
  27 19.09 191
  32 5.87 59
  39 31.19 312
  41 25.58 256
  42 5.09 51
  43 99.99 999
  51 6.17 62
  53 1.14 11
  55 12.54 125
  65 7.51 75
  66 6.3 63
  67 21.83 218
  77 6.95 70
  79 10.17 102
  81 7.83 78
  95 47.84 478
  96 5.99 60
  106 17.66 177
  108 25.53 255
  109 6.65 67
  110 8.57 86
  123 48.75 488
  124 8.85 89
//
