ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006350
RECORD_TITLE: 1-ACETYLCYCLOHEXENE; 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$NAME: 1-ACETYLCYCLOHEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H12O
CH$EXACT_MASS: 124.08882
CH$SMILES: CC(=O)C(C1)=C([H])CCC1
CH$IUPAC: InChI=1S/C8H12O/c1-7(9)8-5-3-2-4-6-8/h5H,2-4,6H2,1H3
CH$LINK: INCHIKEY LTYLUDGDHUEBGX-UHFFFAOYSA-N
AC$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: splash10-001i-9200000000-05170061fb0fcdd888dc
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  37 1.08 11
  38 2.09 21
  39 15.58 156
  41 20.17 202
  42 3.04 30
  43 28.25 283
  44 5.45 55
  45 1.79 18
  49 1.27 13
  50 2.6 26
  51 5.43 54
  52 2.65 27
  53 17.83 178
  54 18 180
  55 6.24 62
  58 18.62 186
  59 1.11 11
  63 1.12 11
  65 4.33 43
  66 3.69 37
  67 46.83 468
  68 2.55 26
  71 2.32 23
  75 2.12 21
  77 9.07 91
  78 2.01 20
  79 37.6 376
  80 12.93 129
  81 99.99 999
  82 48.94 489
  83 3.09 31
  84 1.77 18
  91 2.79 28
  95 2.07 21
  102 1.01 10
  105 1.41 14
  107 1.22 12
  109 54.72 547
  110 3.67 37
  117 1.44 14
  124 58.8 588
  125 17.69 177
  126 1.45 15
//
