ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006345
RECORD_TITLE: 2,6-DIMETHYL-2-CYCLOHEXENONE; 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$NAME: 2,6-DIMETHYL-2-CYCLOHEXENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H12O
CH$EXACT_MASS: 124.08882
CH$SMILES: CC(C1)C(=O)C(C)=CC1
CH$IUPAC: InChI=1S/C8H12O/c1-6-4-3-5-7(2)8(6)9/h4,7H,3,5H2,1-2H3
CH$LINK: INCHIKEY OBDPTOBECPVDMB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60454883
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$SPLASH: splash10-001i-9100000000-8dbaafb962c39fc9695c
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  31 1.48 15
  32 16.42 164
  37 1.83 18
  38 1.48 15
  39 14.81 148
  41 11.17 112
  42 1.58 16
  43 0.12 1
  44 1.13 11
  45 2.33 23
  50 1.36 14
  51 2.56 26
  52 2.18 22
  53 6.43 64
  54 27.62 276
  55 8.64 86
  56 3.04 30
  57 1.86 19
  58 2.11 21
  59 2.59 26
  63 0.98 10
  65 2.56 26
  67 4.22 42
  68 2.59 26
  69 8.84 88
  70 1.66 17
  73 5.2 52
  77 1.68 17
  79 3.21 32
  81 3.59 36
  82 99.99 999
  83 6.35 64
  85 1.68 17
  87 2.61 26
  91 2.08 21
  95 2.23 22
  96 3.11 31
  101 2.39 24
  109 1.98 20
  124 46.85 469
  125 5.05 51
//
